#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2z s LYS 2 N 0.00 2.97 -0.10 0.03 3.01 0.65 -4.86 119.74 121.43 1a2z s LYS 2 Ca 0.00 0.20 0.03 0.00 -1.01 0.00 0.00 55.97 55.19 1a2z s LYS 2 Cb 0.00 -2.18 -0.01 0.00 -1.01 0.00 0.00 37.83 34.63 1a2z s LYS 2 CO 0.00 -0.78 -0.21 0.15 0.51 0.00 0.00 175.35 175.02 1a2z s LYS 3 N -5.11 3.05 -0.10 1.68 1.02 -1.26 -0.76 119.74 118.26 1a2z s LYS 3 Ca 0.55 -0.83 0.04 0.00 0.02 0.00 0.00 55.97 55.75 1a2z s LYS 3 Cb -0.11 -2.37 -0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1a2z s LYS 3 CO 0.48 0.24 -0.23 0.08 -0.92 0.00 0.00 175.35 174.99 1a2z s VAL 4 N 0.23 2.14 -0.20 3.17 1.01 -0.22 -0.78 120.40 125.74 1a2z s VAL 4 Ca -0.13 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 1a2z s VAL 4 Cb -0.17 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1a2z s VAL 4 CO 0.07 0.56 0.04 -0.22 0.00 0.00 0.00 175.10 175.55 1a2z s LEU 5 N 0.32 3.49 -0.15 3.92 2.96 -0.23 -0.05 118.68 128.95 1a2z s LEU 5 Ca -0.18 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1a2z s LEU 5 Cb -0.18 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 1a2z s LEU 5 CO 0.09 0.08 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.50 1a2z s ILE 6 N 0.92 3.62 0.09 6.68 1.01 0.76 -1.36 121.20 132.92 1a2z s ILE 6 Ca 0.03 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.30 1a2z s ILE 6 Cb -0.14 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1a2z s ILE 6 CO 0.02 0.50 -0.16 0.42 0.00 0.00 0.00 174.94 175.73 1a2z s THR 7 N 0.37 2.98 0.02 2.92 -4.23 -0.92 -1.07 115.64 115.71 1a2z s THR 7 Ca -0.06 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 1a2z s THR 7 Cb -0.15 -2.34 -0.00 0.00 1.34 0.00 0.00 72.50 71.35 1a2z s THR 7 CO 0.04 0.18 0.01 0.61 -0.54 0.00 0.00 174.62 174.92 1a2z n GLY 8 N 1.02 4.04 3.18 3.99 0.00 0.01 0.08 105.19 117.51 1a2z n GLY 8 Ca -0.15 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 1a2z n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a2z s PHE 9 N -1.71 1.22 0.99 1.61 0.08 -1.26 0.21 117.98 119.12 1a2z s PHE 9 Ca 0.01 -0.49 -0.12 0.00 0.12 0.00 0.00 56.93 56.45 1a2z s PHE 9 Cb 0.00 -0.68 0.18 0.00 -0.57 0.00 0.00 43.02 41.96 1a2z s PHE 9 CO 0.01 0.06 1.09 -1.21 -0.10 0.00 0.00 175.22 175.07 1a2z s GLU 10 N -1.96 0.49 0.35 0.44 2.02 -0.70 -3.39 118.70 115.96 1a2z s GLU 10 Ca 0.00 0.55 -0.28 0.00 0.02 0.00 0.00 54.97 55.26 1a2z s GLU 10 Cb -0.09 -1.74 -0.12 0.00 0.10 0.00 0.00 34.13 32.28 1a2z s GLU 10 CO 0.02 -2.70 1.39 -2.30 0.02 0.00 0.00 175.26 171.70 1a2z n PRO 11 N -4.16 2.39 -4.51 0.39 -0.02 -1.26 -4.77 135.00 123.06 1a2z n PRO 11 Ca 0.05 0.84 -0.24 0.00 -2.02 0.00 0.00 63.50 62.13 1a2z n PRO 11 Cb 0.57 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 1a2z n PRO 11 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1a2z s PHE 12 N -1.05 1.93 0.00 6.00 -0.71 -1.26 -4.85 117.98 118.04 1a2z s PHE 12 Ca 0.55 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.39 1a2z s PHE 12 Cb -0.53 -1.30 0.00 0.00 -1.21 0.00 0.00 43.02 39.99 1a2z s PHE 12 CO 0.62 -0.05 0.00 0.41 -1.34 0.00 0.00 175.22 174.87 1a2z n GLY 13 N -0.82 0.00 0.00 1.99 0.00 -1.26 -2.09 105.19 103.01 1a2z n GLY 13 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1a2z n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2z n GLY 14 N -0.29 2.96 3.76 -0.02 0.00 -1.26 -5.03 105.19 105.31 1a2z n GLY 14 Ca 0.00 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1a2z n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a2z s ASP 15 N 0.00 6.57 0.11 1.61 1.01 -0.89 -4.92 116.67 120.16 1a2z s ASP 15 Ca 0.00 2.81 0.25 0.00 0.71 0.00 0.00 52.55 56.32 1a2z s ASP 15 Cb 0.00 -2.64 0.61 0.00 1.01 0.00 0.00 42.92 41.90 1a2z s ASP 15 CO 0.00 -0.73 1.53 -1.54 0.21 0.00 0.00 175.17 174.65 1a2z n SER 16 N 1.42 0.60 -4.14 0.27 3.41 -1.26 -4.14 113.62 109.78 1a2z n SER 16 Ca 0.04 0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.78 1a2z n SER 16 Cb 0.40 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 1a2z n SER 16 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1a2z s LYS 17 N -3.10 0.78 -0.12 4.33 1.02 -1.26 -4.85 119.74 116.54 1a2z s LYS 17 Ca 0.09 -1.31 -0.03 0.00 0.02 0.00 0.00 55.97 54.74 1a2z s LYS 17 Cb 0.15 -0.03 0.04 0.00 -0.52 0.00 0.00 37.83 37.46 1a2z s LYS 17 CO 0.66 -0.07 0.04 1.21 -0.92 0.00 0.00 175.35 176.27 1a2z s ASN 18 N -3.01 2.04 0.53 2.83 3.84 -1.26 -4.70 114.94 115.21 1a2z s ASN 18 Ca 0.12 -0.37 0.24 0.00 0.21 0.00 0.00 52.86 53.05 1a2z s ASN 18 Cb 0.06 -0.39 1.37 0.00 -0.55 0.00 0.00 41.25 41.74 1a2z s ASN 18 CO -0.06 -0.27 2.02 1.55 -2.79 0.00 0.00 177.10 177.56 1a2z h PRO 19 N 8.34 0.01 0.00 0.43 0.13 -1.91 -0.84 132.00 138.16 1a2z h PRO 19 Ca -0.16 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1a2z h PRO 19 Cb 1.13 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1a2z h PRO 19 CO 0.27 0.01 -0.03 1.79 -0.23 0.00 0.00 178.00 179.80 1a2z h THR 20 N 0.01 0.10 0.04 1.56 1.35 -1.91 0.34 112.91 114.39 1a2z h THR 20 Ca 0.21 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1a2z h THR 20 Cb 0.85 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1a2z h THR 20 CO -0.00 0.03 -0.02 -0.08 -0.25 0.00 0.00 175.52 175.20 1a2z h GLU 21 N 0.00 -0.05 -0.87 4.72 4.81 -1.16 -0.01 114.58 122.02 1a2z h GLU 21 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1a2z h GLU 21 Cb 0.46 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1a2z h GLU 21 CO 0.00 0.36 0.53 1.96 -0.73 0.00 0.00 179.01 181.13 1a2z h GLN 22 N -0.47 1.18 -0.45 1.92 4.20 -1.43 -0.78 115.11 119.28 1a2z h GLN 22 Ca -0.01 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 1a2z h GLN 22 Cb 0.43 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1a2z h GLN 22 CO 0.01 0.82 0.01 0.82 -0.67 0.00 0.00 178.83 179.83 1a2z h ILE 23 N 1.19 1.26 -0.47 2.54 2.04 -0.84 -1.36 117.51 121.87 1a2z h ILE 23 Ca 0.31 -1.02 -0.12 0.00 1.00 0.00 0.00 64.86 65.03 1a2z h ILE 23 Cb -0.05 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1a2z h ILE 23 CO -0.06 0.35 -0.18 0.00 0.00 0.00 0.00 178.15 178.26 1a2z h ALA 24 N 0.92 0.65 -0.74 1.87 0.00 -0.81 -2.13 119.26 119.02 1a2z h ALA 24 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1a2z h ALA 24 Cb 0.48 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1a2z h ALA 24 CO 0.02 0.61 0.37 0.87 0.00 0.00 0.00 179.25 181.13 1a2z h LYS 25 N 0.80 1.05 -0.78 0.00 1.57 -1.10 -2.40 116.57 115.71 1a2z h LYS 25 Ca 0.11 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1a2z h LYS 25 Cb 0.75 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 1a2z h LYS 25 CO 0.06 0.81 0.49 -0.92 -0.57 0.00 0.00 179.45 179.32 1a2z h TYR 26 N 1.03 0.91 0.00 -1.35 3.20 -0.94 -2.77 116.97 117.06 1a2z h TYR 26 Ca 0.26 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1a2z h TYR 26 Cb 0.09 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 1a2z h TYR 26 CO 0.01 0.50 -0.28 0.74 -1.64 0.00 0.00 178.16 177.49 1a2z h PHE 27 N 0.94 0.00 -2.17 -3.82 0.04 -1.20 -3.45 116.94 107.28 1a2z h PHE 27 Ca 0.32 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.49 1a2z h PHE 27 Cb 0.06 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.27 1a2z h PHE 27 CO -0.04 0.01 0.74 -3.47 -0.60 0.00 0.00 178.31 174.95 1a2z n ASP 28 N -2.99 2.85 -0.42 2.17 2.03 -0.92 -1.64 116.55 117.63 1a2z n ASP 28 Ca 0.03 1.09 -0.06 0.00 0.52 0.00 0.00 54.79 56.37 1a2z n ASP 28 Cb 0.54 -1.39 -0.02 0.00 -0.72 0.00 0.00 41.12 39.53 1a2z n ASP 28 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1a2z n ARG 29 N 3.27 -1.19 -3.69 -0.67 1.74 0.04 -4.87 116.66 111.30 1a2z n ARG 29 Ca 0.17 0.59 -0.34 0.00 -0.77 0.00 0.00 57.85 57.50 1a2z n ARG 29 Cb 0.27 -4.63 -0.05 0.00 -1.02 0.00 0.00 32.46 27.03 1a2z n ARG 29 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a2z s LYS 30 N -2.06 3.65 -0.17 5.56 1.02 -0.65 -4.84 119.74 122.24 1a2z s LYS 30 Ca 0.00 0.01 -0.09 0.00 0.02 0.00 0.00 55.97 55.91 1a2z s LYS 30 Cb 0.00 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 1a2z s LYS 30 CO 0.00 0.59 0.13 -0.65 -0.92 0.00 0.00 175.35 174.50 1a2z s GLN 31 N -1.94 3.93 -0.17 1.68 1.11 -1.26 -0.45 119.66 122.57 1a2z s GLN 31 Ca 0.31 -0.20 0.00 0.00 0.01 0.00 0.00 55.36 55.48 1a2z s GLN 31 Cb -0.13 -3.33 0.04 0.00 -1.01 0.00 0.00 33.01 28.58 1a2z s GLN 31 CO 0.18 0.45 -0.09 0.42 0.01 0.00 0.00 175.29 176.26 1a2z s ILE 32 N -0.07 1.37 0.00 1.08 1.01 -0.12 -4.98 121.20 119.48 1a2z s ILE 32 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1a2z s ILE 32 Cb -0.11 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1a2z s ILE 32 CO -0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1a2z n GLY 33 N 4.80 3.25 1.26 6.18 0.00 -1.26 -0.75 105.19 118.67 1a2z n GLY 33 Ca -0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 1a2z n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a2z n ASN 34 N 3.13 3.05 -4.34 1.61 5.03 -1.26 -4.89 115.26 117.59 1a2z n ASN 34 Ca 0.00 -2.48 -0.21 0.00 0.87 0.00 0.00 54.58 52.76 1a2z n ASN 34 Cb 0.00 -0.60 -0.11 0.00 -1.02 0.00 0.00 39.78 38.05 1a2z n ASN 34 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a2z s ALA 35 N -1.39 2.03 -0.16 5.41 0.00 0.07 -0.26 121.76 127.47 1a2z s ALA 35 Ca 0.20 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 1a2z s ALA 35 Cb 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1a2z s ALA 35 CO 0.05 0.21 0.02 0.00 0.00 0.00 0.00 175.76 176.04 1a2z s MET 36 N -2.96 3.71 -0.05 0.00 0.23 0.06 -0.95 119.30 119.35 1a2z s MET 36 Ca 0.17 -0.40 -0.04 0.00 -1.03 0.00 0.00 55.69 54.39 1a2z s MET 36 Cb -0.05 -3.05 -0.04 0.00 -1.53 0.00 0.00 34.83 30.16 1a2z s MET 36 CO 0.07 0.35 0.17 0.08 -2.03 0.00 0.00 175.02 173.65 1a2z s VAL 37 N 0.12 5.44 -0.18 5.16 1.01 0.41 -1.06 120.40 131.29 1a2z s VAL 37 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1a2z s VAL 37 Cb -0.13 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1a2z s VAL 37 CO 0.01 0.43 -0.14 -0.31 0.00 0.00 0.00 175.10 175.09 1a2z s TYR 38 N -1.22 2.83 -0.20 5.22 1.51 0.93 -0.78 117.35 125.64 1a2z s TYR 38 Ca 0.23 -1.25 -0.04 0.00 -1.01 0.00 0.00 57.07 55.00 1a2z s TYR 38 Cb -0.12 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 1a2z s TYR 38 CO 0.14 -0.63 -0.03 0.20 -1.11 0.00 0.00 175.55 174.11 1a2z s GLY 39 N 1.21 1.65 0.03 0.71 0.00 -1.26 -0.17 107.32 109.49 1a2z s GLY 39 Ca 0.02 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 43.73 1a2z s GLY 39 CO -0.06 0.27 -0.11 0.50 0.00 0.00 0.00 173.10 173.70 1a2z s ARG 40 N 1.13 0.79 -0.21 2.90 1.81 -0.23 -4.71 118.95 120.43 1a2z s ARG 40 Ca 0.02 -0.65 -0.05 0.00 -1.72 0.00 0.00 55.73 53.33 1a2z s ARG 40 Cb -0.15 -0.75 -0.02 0.00 -0.45 0.00 0.00 34.95 33.59 1a2z s ARG 40 CO 0.00 0.18 0.00 0.08 -0.68 0.00 0.00 175.30 174.89 1a2z s VAL 41 N -0.79 3.89 0.19 3.52 1.01 -1.26 -0.81 120.40 126.15 1a2z s VAL 41 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1a2z s VAL 41 Cb -0.07 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.48 1a2z s VAL 41 CO 0.01 0.41 0.44 -0.76 0.00 0.00 0.00 175.10 175.20 1a2z s LEU 42 N 1.21 4.21 0.66 3.92 1.43 0.13 -4.87 118.68 125.38 1a2z s LEU 42 Ca 0.03 0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 53.66 1a2z s LEU 42 Cb -0.15 -3.41 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 1a2z s LEU 42 CO 0.01 -0.02 1.08 -2.16 0.23 0.00 0.00 176.35 175.49 1a2z s PRO 43 N -2.88 2.93 -1.22 1.29 0.04 -1.26 -1.72 135.00 132.18 1a2z s PRO 43 Ca 0.43 1.18 -0.09 0.00 0.04 0.00 0.00 61.00 62.56 1a2z s PRO 43 Cb -0.12 -1.98 0.20 0.00 0.04 0.00 0.00 34.50 32.65 1a2z s PRO 43 CO 0.25 -1.12 1.68 0.28 0.04 0.00 0.00 177.00 178.13 1a2z n VAL 44 N -2.63 4.56 -3.54 -0.36 0.31 -1.26 -4.47 118.33 110.94 1a2z n VAL 44 Ca 0.09 -4.83 -0.08 0.00 -0.01 0.00 0.00 64.34 59.50 1a2z n VAL 44 Cb 0.53 -2.33 -0.09 0.00 -0.91 0.00 0.00 33.84 31.04 1a2z n VAL 44 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1a2z s SER 45 N 0.64 -0.16 0.15 4.52 0.15 -1.26 -0.02 113.70 117.72 1a2z s SER 45 Ca 0.38 0.76 -0.16 0.00 0.70 0.00 0.00 55.95 57.63 1a2z s SER 45 Cb 0.06 1.32 0.03 0.00 -1.71 0.00 0.00 66.02 65.71 1a2z s SER 45 CO 0.02 -0.25 1.80 0.58 1.20 0.00 0.00 173.24 176.58 1a2z h VAL 46 N 6.17 1.05 -0.38 4.45 2.07 -1.95 0.15 116.25 127.80 1a2z h VAL 46 Ca -0.17 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 1a2z h VAL 46 Cb 1.12 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1a2z h VAL 46 CO 0.17 0.08 -0.10 0.11 0.02 0.00 0.00 177.57 177.86 1a2z h LYS 47 N 0.46 0.74 0.01 1.57 6.56 -1.97 -2.40 116.57 121.54 1a2z h LYS 47 Ca 0.15 -0.29 -0.20 0.00 -1.06 0.00 0.00 60.65 59.25 1a2z h LYS 47 Cb -0.00 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 1a2z h LYS 47 CO -0.07 0.89 -0.89 0.00 -2.06 0.00 0.00 179.45 177.32 1a2z h ARG 48 N 0.55 0.15 -0.59 3.15 3.08 -1.91 -3.05 114.38 115.77 1a2z h ARG 48 Ca 0.10 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1a2z h ARG 48 Cb 0.62 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1a2z h ARG 48 CO 0.04 0.94 0.23 0.00 -1.07 0.00 0.00 179.97 180.11 1a2z h ALA 49 N 0.99 1.30 -0.01 0.04 0.00 -0.72 -1.57 119.26 119.29 1a2z h ALA 49 Ca -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1a2z h ALA 49 Cb 1.53 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1a2z h ALA 49 CO 0.13 0.52 0.00 1.15 0.00 0.00 0.00 179.25 181.06 1a2z h THR 50 N 0.84 1.08 -0.06 0.00 2.02 -1.38 0.42 112.91 115.82 1a2z h THR 50 Ca 0.20 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1a2z h THR 50 Cb 0.18 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1a2z h THR 50 CO -0.02 0.06 0.03 0.40 0.37 0.00 0.00 175.52 176.37 1a2z h ILE 51 N -0.08 1.08 -0.45 3.11 1.08 -1.40 -2.00 117.51 118.85 1a2z h ILE 51 Ca 0.00 -0.22 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1a2z h ILE 51 Cb 0.10 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 1a2z h ILE 51 CO -0.00 0.07 0.12 -0.33 -0.69 0.00 0.00 178.15 177.32 1a2z h GLU 52 N 0.01 0.71 -0.48 2.37 5.08 -1.24 -1.52 114.58 119.51 1a2z h GLU 52 Ca 0.02 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1a2z h GLU 52 Cb 0.08 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1a2z h GLU 52 CO -0.00 0.70 0.31 1.25 -1.00 0.00 0.00 179.01 180.26 1a2z h LEU 53 N 0.59 0.52 -0.66 1.33 5.85 -0.85 0.09 115.31 122.18 1a2z h LEU 53 Ca 0.14 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1a2z h LEU 53 Cb 0.30 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1a2z h LEU 53 CO -0.00 0.37 0.25 0.50 -0.34 0.00 0.00 178.44 179.22 1a2z h LYS 54 N 0.62 0.99 -0.26 1.25 3.64 -1.19 -1.01 116.57 120.62 1a2z h LYS 54 Ca 0.18 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1a2z h LYS 54 Cb -0.04 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1a2z h LYS 54 CO -0.06 0.84 0.15 -0.09 -2.27 0.00 0.00 179.45 178.02 1a2z h ARG 55 N 0.93 0.30 -0.47 1.90 2.43 -0.84 0.17 114.38 118.81 1a2z h ARG 55 Ca 0.22 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1a2z h ARG 55 Cb 0.23 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1a2z h ARG 55 CO -0.01 0.20 0.26 1.88 -1.51 0.00 0.00 179.97 180.78 1a2z h TYR 56 N 0.31 0.48 -0.70 2.20 0.05 -0.59 0.22 116.97 118.94 1a2z h TYR 56 Ca 0.10 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.92 1a2z h TYR 56 Cb 0.00 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.55 1a2z h TYR 56 CO -0.08 0.26 0.45 -0.07 -1.05 0.00 0.00 178.16 177.67 1a2z h LEU 57 N 0.52 0.74 -0.17 3.88 3.38 -0.83 -0.03 115.31 122.80 1a2z h LEU 57 Ca 0.20 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.93 1a2z h LEU 57 Cb 0.07 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1a2z h LEU 57 CO -0.12 0.52 -0.93 -0.33 0.09 0.00 0.00 178.44 177.68 1a2z h GLU 58 N 0.88 0.48 0.04 1.13 5.08 -0.50 -1.61 114.58 120.08 1a2z h GLU 58 Ca 0.27 -0.50 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1a2z h GLU 58 Cb -0.02 0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1a2z h GLU 58 CO -0.09 1.14 -0.31 0.93 -1.00 0.00 0.00 179.01 179.68 1a2z h GLU 59 N 0.28 0.14 0.02 2.33 5.08 -0.45 -3.37 114.58 118.62 1a2z h GLU 59 Ca -0.08 -0.20 -0.24 0.00 -1.00 0.00 0.00 59.36 57.83 1a2z h GLU 59 Cb 1.56 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.89 1a2z h GLU 59 CO 0.17 1.03 -1.01 0.82 -1.00 0.00 0.00 179.01 179.02 1a2z h ILE 60 N -0.65 1.37 -6.21 3.13 2.04 -1.14 -3.48 117.51 112.57 1a2z h ILE 60 Ca -0.05 -2.46 -0.44 0.00 1.00 0.00 0.00 64.86 62.92 1a2z h ILE 60 Cb 1.17 2.48 0.05 0.00 -0.74 0.00 0.00 36.82 39.77 1a2z h ILE 60 CO 0.06 0.74 -0.89 0.29 0.00 0.00 0.00 178.15 178.35 1a2z n LYS 61 N -3.75 -2.98 -1.84 2.37 5.02 -0.61 -4.90 118.16 111.47 1a2z n LYS 61 Ca -0.08 0.52 -0.37 0.00 -2.02 0.00 0.00 58.31 56.35 1a2z n LYS 61 Cb 0.87 -4.65 0.05 0.00 -0.02 0.00 0.00 35.03 31.28 1a2z n LYS 61 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1a2z s PRO 62 N -6.04 2.86 0.21 1.97 0.04 -1.26 -4.90 135.00 127.88 1a2z s PRO 62 Ca 0.20 2.04 0.13 0.00 0.04 0.00 0.00 61.00 63.41 1a2z s PRO 62 Cb -0.07 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1a2z s PRO 62 CO 0.85 -1.35 1.33 0.93 0.04 0.00 0.00 177.00 178.80 1a2z h GLU 63 N 0.94 0.00 -3.86 4.56 3.07 -1.31 -3.30 114.58 114.68 1a2z h GLU 63 Ca -0.51 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.09 1a2z h GLU 63 Cb 1.31 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.94 1a2z h GLU 63 CO 0.55 0.63 -0.73 0.42 -1.40 0.00 0.00 179.01 178.48 1a2z s ILE 64 N -2.88 0.11 -0.04 3.13 1.01 -1.11 -0.55 121.20 120.87 1a2z s ILE 64 Ca 0.02 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.68 1a2z s ILE 64 Cb 0.08 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.44 1a2z s ILE 64 CO 0.77 0.04 -0.17 -0.69 0.00 0.00 0.00 174.94 174.89 1a2z s VAL 65 N 0.10 1.42 -0.26 2.92 1.01 -0.57 -1.06 120.40 123.95 1a2z s VAL 65 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1a2z s VAL 65 Cb -0.02 -1.22 0.07 0.00 0.00 0.00 0.00 36.38 35.22 1a2z s VAL 65 CO -0.00 0.41 -0.01 -0.63 0.00 0.00 0.00 175.10 174.86 1a2z s ILE 66 N -0.05 1.57 0.12 2.22 1.01 -0.46 -1.99 121.20 123.62 1a2z s ILE 66 Ca -0.02 -1.45 -0.28 0.00 0.00 0.00 0.00 60.65 58.91 1a2z s ILE 66 Cb -0.11 -1.94 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 1a2z s ILE 66 CO 0.02 -0.27 0.86 0.20 0.00 0.00 0.00 174.94 175.75 1a2z s ASN 67 N 1.34 7.41 0.19 3.58 0.01 -0.35 -2.16 114.94 124.95 1a2z s ASN 67 Ca -0.01 1.68 0.11 0.00 -0.71 0.00 0.00 52.86 53.93 1a2z s ASN 67 Cb -0.19 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 1a2z s ASN 67 CO -0.09 0.05 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.58 1a2z s LEU 68 N -0.41 2.58 0.10 0.60 1.43 0.11 -0.86 118.68 122.23 1a2z s LEU 68 Ca 0.41 -0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 1a2z s LEU 68 Cb -0.23 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.72 1a2z s LEU 68 CO 0.27 0.12 0.33 -0.83 0.23 0.00 0.00 176.35 176.47 1a2z s GLY 69 N -2.71 -0.16 -0.03 -3.19 0.00 -0.85 -4.40 107.32 95.99 1a2z s GLY 69 Ca 0.22 -0.17 -0.24 0.00 0.00 0.00 0.00 44.72 44.52 1a2z s GLY 69 CO 0.11 -0.41 0.73 -2.27 0.00 0.00 0.00 173.10 171.26 1a2z s LEU 70 N -2.68 4.36 -0.60 0.66 2.96 -1.26 -0.88 118.68 121.24 1a2z s LEU 70 Ca 0.02 1.29 -0.00 0.00 -0.22 0.00 0.00 54.13 55.22 1a2z s LEU 70 Cb 0.02 -3.15 0.15 0.00 0.50 0.00 0.00 46.19 43.72 1a2z s LEU 70 CO -0.10 -0.07 0.39 0.00 -1.32 0.00 0.00 176.35 175.24 1a2z s ALA 71 N 0.50 3.51 0.13 5.97 0.00 -0.36 -4.85 121.76 126.66 1a2z s ALA 71 Ca 0.38 -3.31 -0.35 0.00 0.00 0.00 0.00 51.96 48.68 1a2z s ALA 71 Cb -0.19 -2.47 -0.16 0.00 0.00 0.00 0.00 23.12 20.30 1a2z s ALA 71 CO 0.20 -2.08 1.23 -2.30 0.00 0.00 0.00 175.76 172.81 1a2z n PRO 72 N 3.25 1.11 0.00 0.00 -0.02 -1.26 -1.92 135.00 136.16 1a2z n PRO 72 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1a2z n PRO 72 Cb 0.35 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1a2z n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1a2z n THR 73 N 1.95 0.00 -1.95 3.45 -2.24 -1.26 -4.98 114.28 109.25 1a2z n THR 73 Ca 0.17 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.58 1a2z n THR 73 Cb 0.22 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.48 1a2z n THR 73 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1a2z s TYR 74 N -2.28 2.40 -1.09 4.78 1.51 -0.81 -4.45 117.35 117.41 1a2z s TYR 74 Ca 0.00 1.47 0.11 0.00 -1.01 0.00 0.00 57.07 57.64 1a2z s TYR 74 Cb 0.00 -3.60 0.23 0.00 -0.11 0.00 0.00 41.96 38.48 1a2z s TYR 74 CO 0.00 -2.41 1.12 -1.13 -1.11 0.00 0.00 175.55 172.01 1a2z n SER 75 N -1.25 2.58 -3.86 2.29 3.41 -1.26 -4.34 113.62 111.19 1a2z n SER 75 Ca 0.12 -1.81 -0.10 0.00 -0.26 0.00 0.00 58.87 56.82 1a2z n SER 75 Cb 0.48 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 1a2z n SER 75 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a2z s ASN 76 N -0.98 -0.08 0.49 4.04 4.22 -1.26 -4.92 114.94 116.45 1a2z s ASN 76 Ca 0.20 -0.69 -0.21 0.00 -2.14 0.00 0.00 52.86 50.01 1a2z s ASN 76 Cb 0.11 0.49 -0.07 0.00 1.28 0.00 0.00 41.25 43.06 1a2z s ASN 76 CO 0.15 -0.95 1.12 -0.63 -2.04 0.00 0.00 177.10 174.75 1a2z s ILE 77 N -3.92 3.32 -0.06 0.54 -1.09 -0.25 -4.34 121.20 115.38 1a2z s ILE 77 Ca 0.13 0.89 0.03 0.00 -2.23 0.00 0.00 60.65 59.47 1a2z s ILE 77 Cb 0.02 -3.40 0.01 0.00 -1.58 0.00 0.00 42.46 37.50 1a2z s ILE 77 CO -0.02 -0.11 -0.15 0.42 -1.23 0.00 0.00 174.94 173.85 1a2z s THR 78 N -1.73 1.33 -0.35 2.92 -4.23 -0.60 -1.82 115.64 111.17 1a2z s THR 78 Ca 0.67 -0.61 -0.12 0.00 -1.18 0.00 0.00 61.69 60.45 1a2z s THR 78 Cb -0.24 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.41 1a2z s THR 78 CO 0.28 0.40 0.22 -0.69 -0.54 0.00 0.00 174.62 174.29 1a2z s VAL 79 N 0.45 5.03 0.25 2.29 1.01 0.29 -0.84 120.40 128.87 1a2z s VAL 79 Ca -0.12 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1a2z s VAL 79 Cb -0.15 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1a2z s VAL 79 CO 0.04 -0.05 0.98 -1.61 0.00 0.00 0.00 175.10 174.45 1a2z s GLU 80 N 1.67 4.81 -0.05 2.72 0.41 0.21 -1.32 118.70 127.15 1a2z s GLU 80 Ca 0.05 1.56 0.12 0.00 -0.41 0.00 0.00 54.97 56.29 1a2z s GLU 80 Cb -0.18 -3.25 -0.18 0.00 -1.78 0.00 0.00 34.13 28.74 1a2z s GLU 80 CO 0.09 0.45 0.20 -2.13 -0.49 0.00 0.00 175.26 173.38 1a2z n ARG 81 N 1.41 0.90 -4.76 1.61 0.63 0.45 -4.35 116.66 112.55 1a2z n ARG 81 Ca -0.02 -0.08 -0.26 0.00 -0.92 0.00 0.00 57.85 56.57 1a2z n ARG 81 Cb 0.47 -1.30 -0.16 0.00 0.45 0.00 0.00 32.46 31.91 1a2z n ARG 81 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1a2z s ILE 82 N -2.69 1.36 -0.12 5.15 -1.09 -1.26 -0.93 121.20 121.61 1a2z s ILE 82 Ca -0.05 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.71 1a2z s ILE 82 Cb 0.07 -1.19 -0.02 0.00 -1.58 0.00 0.00 42.46 39.73 1a2z s ILE 82 CO 0.51 0.40 -0.08 0.00 -1.23 0.00 0.00 174.94 174.54 1a2z s ALA 83 N 0.30 2.86 0.12 9.38 0.00 -0.15 -4.10 121.76 130.17 1a2z s ALA 83 Ca -0.09 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.07 1a2z s ALA 83 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1a2z s ALA 83 CO 0.03 0.33 -0.03 0.14 0.00 0.00 0.00 175.76 176.23 1a2z s VAL 84 N 0.03 3.73 -0.95 0.00 -7.23 -1.26 -1.18 120.40 113.54 1a2z s VAL 84 Ca -0.02 -1.21 -0.06 0.00 -1.81 0.00 0.00 61.98 58.88 1a2z s VAL 84 Cb -0.14 -2.80 0.01 0.00 0.56 0.00 0.00 36.38 34.01 1a2z s VAL 84 CO 0.03 0.05 2.79 -3.20 -0.31 0.00 0.00 175.10 174.46 1a2z n ASN 85 N 0.39 7.35 -3.74 4.85 2.85 0.11 -4.83 115.26 122.25 1a2z n ASN 85 Ca -0.11 -2.95 -0.13 0.00 -0.11 0.00 0.00 54.58 51.28 1a2z n ASN 85 Cb 0.53 -1.37 -0.13 0.00 1.24 0.00 0.00 39.78 40.05 1a2z n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1a2z s ILE 86 N -0.49 -0.04 -0.16 -1.44 -1.09 -1.26 -3.30 121.20 113.43 1a2z s ILE 86 Ca 0.60 0.14 0.02 0.00 -2.23 0.00 0.00 60.65 59.18 1a2z s ILE 86 Cb 0.26 -0.36 0.01 0.00 -1.58 0.00 0.00 42.46 40.79 1a2z s ILE 86 CO -0.11 0.06 -0.21 -0.51 -1.23 0.00 0.00 174.94 172.94 1a2z s ILE 87 N 1.14 2.06 -0.16 2.92 2.07 0.11 -4.72 121.20 124.63 1a2z s ILE 87 Ca -0.08 -0.96 -0.04 0.00 -1.41 0.00 0.00 60.65 58.15 1a2z s ILE 87 Cb -0.10 -1.84 0.08 0.00 0.13 0.00 0.00 42.46 40.73 1a2z s ILE 87 CO -0.07 0.55 0.26 -0.62 -1.91 0.00 0.00 174.94 173.14 1a2z s ASP 88 N 1.02 0.61 -0.13 4.50 2.15 0.42 -1.20 116.67 124.03 1a2z s ASP 88 Ca -0.02 0.35 -0.05 0.00 0.43 0.00 0.00 52.55 53.27 1a2z s ASP 88 Cb -0.14 0.65 -0.04 0.00 -0.30 0.00 0.00 42.92 43.09 1a2z s ASP 88 CO -0.07 -0.27 0.04 0.00 -0.17 0.00 0.00 175.17 174.70 1a2z s ALA 89 N 2.41 3.36 0.05 3.66 0.00 0.82 -4.27 121.76 127.79 1a2z s ALA 89 Ca 0.04 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 51.16 1a2z s ALA 89 Cb -0.13 -1.71 -0.30 0.00 0.00 0.00 0.00 23.12 20.97 1a2z s ALA 89 CO -0.10 0.39 1.04 -0.09 0.00 0.00 0.00 175.76 177.01 1a2z h ARG 90 N 5.90 0.34 -5.03 0.00 9.65 -1.96 -3.46 114.38 119.83 1a2z h ARG 90 Ca -0.44 -0.59 -0.37 0.00 -1.10 0.00 0.00 59.98 57.48 1a2z h ARG 90 Cb 1.19 0.22 -0.23 0.00 -1.39 0.00 0.00 29.97 29.76 1a2z h ARG 90 CO 0.62 1.27 -0.77 0.42 2.80 0.00 0.00 179.97 184.31 1a2z s ILE 91 N -2.63 0.89 0.64 1.20 1.01 -1.26 -5.14 121.20 115.91 1a2z s ILE 91 Ca -0.06 -1.08 -0.17 0.00 0.00 0.00 0.00 60.65 59.33 1a2z s ILE 91 Cb 0.06 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 1a2z s ILE 91 CO 0.90 -0.19 1.22 -2.84 0.00 0.00 0.00 174.94 174.02 1a2z s PRO 92 N -1.42 2.66 0.00 2.79 0.02 -1.26 -4.87 135.00 132.92 1a2z s PRO 92 Ca -0.03 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.81 1a2z s PRO 92 Cb -0.09 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1a2z s PRO 92 CO 0.01 -1.45 0.00 -0.40 -0.33 0.00 0.00 177.00 174.83 1a2z n ASP 93 N -2.00 0.00 0.25 2.53 5.68 -0.31 -4.87 116.55 117.82 1a2z n ASP 93 Ca 0.14 -0.82 0.12 0.00 -0.50 0.00 0.00 54.79 53.73 1a2z n ASP 93 Cb 0.50 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.10 1a2z n ASP 93 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1a2z h ASN 94 N 0.00 0.00 -0.40 -1.12 -0.26 -0.79 -2.53 115.58 110.49 1a2z h ASN 94 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1a2z h ASN 94 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1a2z h ASN 94 CO 0.00 0.16 0.00 0.47 -1.06 0.00 0.00 177.43 177.00 1a2z n ASP 95 N -3.52 2.28 -0.25 5.81 8.00 -1.26 -4.89 116.55 122.71 1a2z n ASP 95 Ca -0.01 -2.04 -0.03 0.00 0.71 0.00 0.00 54.79 53.42 1a2z n ASP 95 Cb 0.31 -0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 41.10 1a2z n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a2z n GLY 96 N 1.08 0.64 3.72 0.44 0.00 -0.95 -5.01 105.19 105.10 1a2z n GLY 96 Ca 0.14 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 1a2z n GLY 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1a2z s TYR 97 N -2.10 3.51 -0.41 1.61 5.04 -1.26 -4.78 117.35 118.95 1a2z s TYR 97 Ca 0.00 0.87 0.04 0.00 -2.44 0.00 0.00 57.07 55.55 1a2z s TYR 97 Cb 0.00 -2.54 0.18 0.00 0.35 0.00 0.00 41.96 39.95 1a2z s TYR 97 CO 0.00 0.17 0.37 0.94 -1.34 0.00 0.00 175.55 175.69 1a2z n GLN 98 N 3.68 0.24 -2.12 4.97 7.27 -1.26 -1.16 117.38 129.00 1a2z n GLN 98 Ca -0.07 -3.13 -0.40 0.00 0.07 0.00 0.00 57.00 53.47 1a2z n GLN 98 Cb 0.52 -1.62 -0.01 0.00 2.41 0.00 0.00 30.24 31.53 1a2z n GLN 98 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1a2z s PRO 99 N -0.01 4.17 -0.29 3.69 0.04 -1.26 -4.81 135.00 136.53 1a2z s PRO 99 Ca 0.33 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1a2z s PRO 99 Cb 0.05 -2.90 0.06 0.00 0.04 0.00 0.00 34.50 31.75 1a2z s PRO 99 CO -0.19 -0.32 -0.04 0.42 0.04 0.00 0.00 177.00 176.91 1a2z s ILE 100 N -1.22 2.63 -1.28 0.56 1.01 -1.26 -0.13 121.20 121.51 1a2z s ILE 100 Ca 0.53 -1.52 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1a2z s ILE 100 Cb -0.38 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.55 1a2z s ILE 100 CO 0.49 -0.09 0.61 -0.67 0.00 0.00 0.00 174.94 175.29 1a2z n ASP 101 N 4.53 -2.56 -4.93 3.58 -0.08 -1.17 -4.96 116.55 110.96 1a2z n ASP 101 Ca -0.13 -0.99 -0.25 0.00 -1.51 0.00 0.00 54.79 51.90 1a2z n ASP 101 Cb 0.43 -3.30 -0.03 0.00 2.34 0.00 0.00 41.12 40.56 1a2z n ASP 101 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1a2z s GLU 102 N -6.25 3.39 0.25 -0.67 2.02 -0.34 -4.90 118.70 112.19 1a2z s GLU 102 Ca 0.21 -0.65 -0.23 0.00 0.02 0.00 0.00 54.97 54.32 1a2z s GLU 102 Cb -0.08 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 31.14 1a2z s GLU 102 CO 0.87 0.50 0.81 0.21 0.02 0.00 0.00 175.26 177.67 1a2z s LYS 103 N -3.34 4.42 -0.04 1.61 2.20 -1.26 0.09 119.74 123.42 1a2z s LYS 103 Ca 0.34 1.08 -0.23 0.00 -0.36 0.00 0.00 55.97 56.80 1a2z s LYS 103 Cb -0.11 -2.92 -0.26 0.00 -1.51 0.00 0.00 37.83 33.04 1a2z s LYS 103 CO 0.28 0.39 1.00 0.82 -0.36 0.00 0.00 175.35 177.48 1a2z h ILE 104 N 2.79 1.52 -3.22 5.43 2.04 -1.87 -3.45 117.51 120.75 1a2z h ILE 104 Ca -0.47 -2.17 -0.43 0.00 1.00 0.00 0.00 64.86 62.79 1a2z h ILE 104 Cb 1.19 2.87 -0.39 0.00 -0.74 0.00 0.00 36.82 39.75 1a2z h ILE 104 CO 0.65 0.61 -0.75 -0.70 0.00 0.00 0.00 178.15 177.96 1a2z s GLU 105 N -2.91 0.18 0.51 2.37 2.56 -1.26 -5.03 118.70 115.12 1a2z s GLU 105 Ca -0.15 0.11 0.19 0.00 0.00 0.00 0.00 54.97 55.12 1a2z s GLU 105 Cb 0.01 -1.15 1.29 0.00 2.00 0.00 0.00 34.13 36.28 1a2z s GLU 105 CO 0.79 -0.45 2.10 0.93 -0.56 0.00 0.00 175.26 178.06 1a2z h GLU 106 N 8.39 0.00 -1.36 4.30 4.39 -1.99 -3.02 114.58 125.28 1a2z h GLU 106 Ca -0.15 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 58.87 1a2z h GLU 106 Cb 1.13 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 29.46 1a2z h GLU 106 CO 0.23 0.09 0.46 -0.25 -1.16 0.00 0.00 179.01 178.37 1a2z n ASP 107 N -4.22 6.81 -4.05 1.42 8.00 -1.26 -4.93 116.55 118.32 1a2z n ASP 107 Ca -0.03 -3.79 -0.07 0.00 0.71 0.00 0.00 54.79 51.61 1a2z n ASP 107 Cb 0.17 -0.84 -0.10 0.00 -0.02 0.00 0.00 41.12 40.33 1a2z n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a2z s ALA 108 N -3.84 0.37 1.08 2.24 0.00 -1.14 -5.16 121.76 115.31 1a2z s ALA 108 Ca 0.56 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.29 1a2z s ALA 108 Cb 0.46 0.30 0.21 0.00 0.00 0.00 0.00 23.12 24.09 1a2z s ALA 108 CO -0.16 -0.38 1.03 -0.35 0.00 0.00 0.00 175.76 175.89 1a2z n PRO 109 N 0.15 -1.75 0.00 0.00 -0.04 -1.26 -4.95 135.00 127.15 1a2z n PRO 109 Ca -0.15 -1.61 -0.03 0.00 -0.04 0.00 0.00 63.50 61.68 1a2z n PRO 109 Cb 0.61 -1.23 0.22 0.00 -0.04 0.00 0.00 33.50 33.07 1a2z n PRO 109 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1a2z h LEU 110 N 0.00 0.51 -7.85 1.53 5.85 -1.95 -3.42 115.31 109.97 1a2z h LEU 110 Ca -0.35 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.11 1a2z h LEU 110 Cb 1.01 -0.14 -0.17 0.00 0.37 0.00 0.00 40.66 41.73 1a2z h LEU 110 CO 0.24 0.69 -0.46 0.00 -0.34 0.00 0.00 178.44 178.57 1a2z s ALA 111 N -4.67 -0.15 0.03 1.25 0.00 -1.26 0.10 121.76 117.05 1a2z s ALA 111 Ca -0.07 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1a2z s ALA 111 Cb 0.14 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1a2z s ALA 111 CO 0.79 -0.37 -0.17 0.71 0.00 0.00 0.00 175.76 176.72 1a2z s TYR 112 N -2.92 1.46 0.12 0.00 2.02 -0.32 -4.98 117.35 112.73 1a2z s TYR 112 Ca -0.02 -0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 56.19 1a2z s TYR 112 Cb 0.01 -0.89 -0.07 0.00 -0.40 0.00 0.00 41.96 40.61 1a2z s TYR 112 CO -0.06 0.04 0.55 1.41 -1.57 0.00 0.00 175.55 175.92 1a2z s MET 113 N -0.93 4.03 0.51 -0.62 -2.45 -1.26 -0.98 119.30 117.59 1a2z s MET 113 Ca 0.05 0.55 -0.23 0.00 -1.25 0.00 0.00 55.69 54.81 1a2z s MET 113 Cb -0.08 -3.02 -0.06 0.00 1.25 0.00 0.00 34.83 32.92 1a2z s MET 113 CO 0.01 0.53 1.39 0.00 1.05 0.00 0.00 175.02 178.00 1a2z s ALA 114 N -1.36 3.00 -1.19 4.11 0.00 -0.11 -4.94 121.76 121.27 1a2z s ALA 114 Ca 0.35 1.40 0.12 0.00 0.00 0.00 0.00 51.96 53.83 1a2z s ALA 114 Cb -0.16 -3.58 0.26 0.00 0.00 0.00 0.00 23.12 19.64 1a2z s ALA 114 CO 0.19 -1.31 1.15 0.25 0.00 0.00 0.00 175.76 176.04 1a2z n THR 115 N -0.67 0.67 -1.49 0.00 -2.24 -0.04 -4.94 114.28 105.56 1a2z n THR 115 Ca 0.08 -0.83 -0.31 0.00 -2.27 0.00 0.00 64.05 60.72 1a2z n THR 115 Cb 0.43 0.75 0.07 0.00 -2.10 0.00 0.00 70.33 69.49 1a2z n THR 115 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1a2z s LEU 116 N -1.01 2.95 -1.29 3.22 1.43 -1.10 -4.34 118.68 118.54 1a2z s LEU 116 Ca 0.22 1.58 -0.17 0.00 -1.03 0.00 0.00 54.13 54.73 1a2z s LEU 116 Cb 0.12 -4.34 0.09 0.00 0.03 0.00 0.00 46.19 42.09 1a2z s LEU 116 CO 0.17 -1.73 1.70 -0.81 0.23 0.00 0.00 176.35 175.91 1a2z n PRO 117 N -3.31 3.23 -0.20 1.29 -0.04 -1.26 -4.81 135.00 129.89 1a2z n PRO 117 Ca 0.08 -3.37 0.01 0.00 -0.04 0.00 0.00 63.50 60.18 1a2z n PRO 117 Cb 0.54 -3.40 0.26 0.00 -0.04 0.00 0.00 33.50 30.86 1a2z n PRO 117 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1a2z h VAL 118 N 5.32 1.17 -0.21 0.52 -1.51 -1.92 -0.19 116.25 119.44 1a2z h VAL 118 Ca 0.43 -0.33 -0.16 0.00 -1.23 0.00 0.00 66.70 65.40 1a2z h VAL 118 Cb 0.86 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1a2z h VAL 118 CO 1.43 0.18 -0.50 0.03 -1.23 0.00 0.00 177.57 177.48 1a2z h ARG 119 N 0.98 0.71 -0.87 5.19 3.08 -1.88 -1.14 114.38 120.44 1a2z h ARG 119 Ca 0.27 -0.48 0.02 0.00 0.07 0.00 0.00 59.98 59.86 1a2z h ARG 119 Cb -0.09 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1a2z h ARG 119 CO -0.06 1.10 0.57 0.00 -1.07 0.00 0.00 179.97 180.51 1a2z h ALA 120 N 0.60 1.12 -0.18 0.04 0.00 -1.76 0.10 119.26 119.18 1a2z h ALA 120 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1a2z h ALA 120 Cb 1.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1a2z h ALA 120 CO 0.11 0.45 0.08 0.82 0.00 0.00 0.00 179.25 180.71 1a2z h ILE 121 N 1.13 1.14 -0.40 0.00 2.04 -0.95 -1.38 117.51 119.08 1a2z h ILE 121 Ca 0.33 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1a2z h ILE 121 Cb -0.06 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1a2z h ILE 121 CO -0.09 0.13 0.16 0.74 0.00 0.00 0.00 178.15 179.08 1a2z h THR 122 N 0.16 1.20 -0.86 -0.27 2.02 -0.51 -0.88 112.91 113.77 1a2z h THR 122 Ca 0.06 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1a2z h THR 122 Cb 0.13 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1a2z h THR 122 CO -0.01 0.22 0.48 0.50 0.37 0.00 0.00 175.52 177.09 1a2z h LYS 123 N 0.51 1.19 -0.55 6.66 3.64 -0.83 -1.42 116.57 125.76 1a2z h LYS 123 Ca 0.13 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 1a2z h LYS 123 Cb 0.20 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1a2z h LYS 123 CO -0.01 0.86 -0.04 1.15 -2.27 0.00 0.00 179.45 179.14 1a2z h THR 124 N 1.19 1.26 -0.28 1.00 2.02 -0.91 0.11 112.91 117.30 1a2z h THR 124 Ca 0.30 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1a2z h THR 124 Cb 0.01 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1a2z h THR 124 CO -0.05 0.42 0.13 -0.07 0.37 0.00 0.00 175.52 176.32 1a2z h LEU 125 N 0.90 0.37 -1.02 2.58 4.07 -0.85 -1.97 115.31 119.39 1a2z h LEU 125 Ca 0.15 -0.13 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 1a2z h LEU 125 Cb 0.58 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1a2z h LEU 125 CO 0.04 0.40 -0.09 0.03 -1.08 0.00 0.00 178.44 177.73 1a2z h ARG 126 N 0.32 0.61 0.00 1.13 3.08 -0.86 -0.27 114.38 118.39 1a2z h ARG 126 Ca 0.10 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1a2z h ARG 126 Cb 0.13 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1a2z h ARG 126 CO -0.01 0.69 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.07 1a2z h ASP 127 N 0.56 0.00 -0.74 7.04 3.32 -0.49 -1.47 116.42 124.65 1a2z h ASP 127 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1a2z h ASP 127 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1a2z h ASP 127 CO 0.03 0.07 0.00 0.59 -1.72 0.00 0.00 179.24 178.21 1a2z n ASN 128 N -3.50 4.06 -0.10 6.45 3.02 -0.58 -4.94 115.26 119.67 1a2z n ASN 128 Ca -0.02 -2.05 -0.01 0.00 -0.03 0.00 0.00 54.58 52.47 1a2z n ASN 128 Cb 0.20 -0.51 -0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1a2z n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a2z n GLY 129 N 1.63 0.41 3.23 7.41 0.00 -0.55 -5.03 105.19 112.28 1a2z n GLY 129 Ca 0.25 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 1a2z n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a2z s ILE 130 N -2.04 3.06 0.24 -0.61 1.01 -0.22 -5.01 121.20 117.63 1a2z s ILE 130 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 1a2z s ILE 130 Cb 0.00 -2.53 -0.12 0.00 0.01 0.00 0.00 42.46 39.82 1a2z s ILE 130 CO 0.00 0.21 1.68 -2.65 0.00 0.00 0.00 174.94 174.18 1a2z n PRO 131 N 4.71 2.75 -3.61 2.79 -0.02 -1.26 -3.12 135.00 137.23 1a2z n PRO 131 Ca -0.16 0.99 -0.16 0.00 -2.02 0.00 0.00 63.50 62.14 1a2z n PRO 131 Cb 0.48 -2.81 -0.07 0.00 -0.02 0.00 0.00 33.50 31.08 1a2z n PRO 131 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a2z s ALA 132 N 0.73 -1.45 0.05 3.55 0.00 -1.26 -1.09 121.76 122.29 1a2z s ALA 132 Ca 0.71 1.09 -0.02 0.00 0.00 0.00 0.00 51.96 53.74 1a2z s ALA 132 Cb -0.50 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1a2z s ALA 132 CO 0.38 -0.33 -0.00 0.95 0.00 0.00 0.00 175.76 176.76 1a2z s THR 133 N -1.01 0.20 0.01 0.00 -4.23 -0.76 -4.93 115.64 104.93 1a2z s THR 133 Ca -0.10 -1.66 -0.21 0.00 -1.18 0.00 0.00 61.69 58.54 1a2z s THR 133 Cb -0.02 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.37 1a2z s THR 133 CO 0.07 -0.92 0.63 -0.63 -0.54 0.00 0.00 174.62 173.24 1a2z s ILE 134 N -3.70 4.86 0.10 2.99 1.01 -1.26 -0.55 121.20 124.65 1a2z s ILE 134 Ca 0.05 1.33 0.07 0.00 0.00 0.00 0.00 60.65 62.10 1a2z s ILE 134 Cb 0.06 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1a2z s ILE 134 CO -0.09 0.41 -0.12 -0.55 0.00 0.00 0.00 174.94 174.59 1a2z s SER 135 N -0.21 4.28 0.00 3.58 0.15 -0.43 -4.88 113.70 116.19 1a2z s SER 135 Ca 0.32 -0.42 0.09 0.00 0.70 0.00 0.00 55.95 56.64 1a2z s SER 135 Cb -0.19 -0.78 0.14 0.00 -1.71 0.00 0.00 66.02 63.49 1a2z s SER 135 CO 0.19 0.18 0.96 -1.22 1.20 0.00 0.00 173.24 174.54 1a2z n TYR 136 N 0.75 0.15 -3.69 3.44 4.02 -1.26 -0.41 117.16 120.16 1a2z n TYR 136 Ca -0.14 -0.21 -0.16 0.00 -0.01 0.00 0.00 57.90 57.38 1a2z n TYR 136 Cb 0.52 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.67 1a2z n TYR 136 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1a2z s SER 137 N -0.85 0.59 -0.07 7.72 0.15 -1.26 -4.45 113.70 115.54 1a2z s SER 137 Ca 0.14 0.30 0.12 0.00 0.70 0.00 0.00 55.95 57.21 1a2z s SER 137 Cb 0.08 0.21 0.48 0.00 -1.71 0.00 0.00 66.02 65.09 1a2z s SER 137 CO 0.12 -0.22 1.34 0.00 1.20 0.00 0.00 173.24 175.68 1a2z n ALA 138 N 5.06 2.86 0.00 5.45 0.00 -1.26 -5.05 120.51 127.57 1a2z n ALA 138 Ca -0.10 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1a2z n ALA 138 Cb 0.50 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1a2z n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a2z n GLY 139 N 0.90 -1.80 0.72 0.00 0.00 -1.26 -3.48 105.19 100.28 1a2z n GLY 139 Ca 0.17 -1.67 0.04 0.00 0.00 0.00 0.00 46.02 44.56 1a2z n GLY 139 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a2z n THR 140 N 0.00 0.60 -0.92 2.61 -2.24 -1.26 -4.64 114.28 108.42 1a2z n THR 140 Ca 0.00 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1a2z n THR 140 Cb 0.00 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1a2z n THR 140 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a2z n TYR 141 N -0.24 0.00 -0.09 4.78 9.36 -1.26 -0.44 117.16 129.27 1a2z n TYR 141 Ca 0.07 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.26 1a2z n TYR 141 Cb 0.82 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.73 1a2z n TYR 141 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1a2z h LEU 142 N 0.00 0.69 0.31 2.98 3.38 -1.94 -0.92 115.31 119.81 1a2z h LEU 142 Ca 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1a2z h LEU 142 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1a2z h LEU 142 CO 0.00 0.74 -0.15 0.00 0.09 0.00 0.00 178.44 179.12 1a2z h ASN 144 N -0.45 0.72 -0.04 0.00 -0.73 -1.55 -1.60 115.58 111.93 1a2z h ASN 144 Ca -0.04 -0.04 -0.00 0.00 1.87 0.00 0.00 56.30 58.09 1a2z h ASN 144 Cb 0.34 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.75 1a2z h ASN 144 CO 0.07 0.55 0.02 0.22 -0.37 0.00 0.00 177.43 177.93 1a2z h TYR 145 N 0.83 0.05 -0.43 0.67 3.20 -0.85 0.17 116.97 120.62 1a2z h TYR 145 Ca 0.22 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 1a2z h TYR 145 Cb -0.03 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1a2z h TYR 145 CO 0.00 0.09 -0.16 0.28 -1.64 0.00 0.00 178.16 176.73 1a2z h VAL 146 N 0.00 1.27 -0.33 1.81 2.07 -0.98 -0.28 116.25 119.82 1a2z h VAL 146 Ca 0.01 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.31 1a2z h VAL 146 Cb 0.05 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1a2z h VAL 146 CO -0.00 0.43 0.11 -0.03 0.02 0.00 0.00 177.57 178.10 1a2z h MET 147 N 0.73 0.24 -0.32 1.57 1.85 -0.85 -1.29 114.93 116.86 1a2z h MET 147 Ca 0.11 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 59.10 1a2z h MET 147 Cb 0.67 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.64 1a2z h MET 147 CO 0.05 0.16 -0.15 0.35 -0.40 0.00 0.00 176.91 176.92 1a2z h PHE 148 N 0.25 0.77 -0.60 1.39 3.04 -0.29 -1.65 116.94 119.85 1a2z h PHE 148 Ca 0.15 -0.19 0.02 0.00 3.98 0.00 0.00 57.97 61.93 1a2z h PHE 148 Cb 0.12 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.42 1a2z h PHE 148 CO -0.14 0.88 0.37 0.87 -2.02 0.00 0.00 178.31 178.28 1a2z h LYS 149 N 0.44 0.72 -0.48 1.11 1.79 -0.92 0.11 116.57 119.34 1a2z h LYS 149 Ca 0.07 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 1a2z h LYS 149 Cb 0.68 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 1a2z h LYS 149 CO 0.05 0.48 0.03 1.15 -1.08 0.00 0.00 179.45 180.07 1a2z h THR 150 N 0.74 1.26 -0.34 -0.16 2.02 -1.14 -0.41 112.91 114.87 1a2z h THR 150 Ca 0.24 -1.01 -0.09 0.00 0.77 0.00 0.00 66.41 66.32 1a2z h THR 150 Cb 0.00 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1a2z h THR 150 CO -0.09 0.35 -0.14 -0.07 0.37 0.00 0.00 175.52 175.94 1a2z h LEU 151 N 0.68 0.60 -0.14 2.58 3.38 -0.87 -0.38 115.31 121.17 1a2z h LEU 151 Ca 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1a2z h LEU 151 Cb 0.46 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1a2z h LEU 151 CO 0.02 0.77 -0.02 -0.74 0.09 0.00 0.00 178.44 178.56 1a2z h HIS 152 N 0.55 0.29 -0.34 1.13 2.76 -0.68 -1.82 115.15 117.04 1a2z h HIS 152 Ca 0.09 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 1a2z h HIS 152 Cb 0.57 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.40 1a2z h HIS 152 CO 0.02 0.52 -0.00 0.35 -1.30 0.00 0.00 177.93 177.52 1a2z h PHE 153 N -0.03 -0.03 -0.65 5.26 3.04 -0.87 -1.84 116.94 121.83 1a2z h PHE 153 Ca 0.04 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.09 1a2z h PHE 153 Cb 0.41 0.06 -0.06 0.00 2.56 0.00 0.00 35.95 38.92 1a2z h PHE 153 CO 0.04 -0.06 0.31 1.03 -2.02 0.00 0.00 178.31 177.61 1a2z h SER 154 N 0.09 0.40 -0.59 0.41 0.87 -0.85 0.30 113.55 114.18 1a2z h SER 154 Ca 0.16 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1a2z h SER 154 Cb 0.22 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1a2z h SER 154 CO -0.28 0.24 0.31 0.11 -0.53 0.00 0.00 176.83 176.69 1a2z h LYS 155 N 0.55 0.86 0.16 2.24 1.79 -0.66 -0.78 116.57 120.72 1a2z h LYS 155 Ca 0.31 -0.10 -0.34 0.00 -2.18 0.00 0.00 60.65 58.34 1a2z h LYS 155 Cb 0.31 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1a2z h LYS 155 CO -0.25 0.65 -1.75 0.82 -1.08 0.00 0.00 179.45 177.84 1a2z h ILE 156 N 0.86 0.88 0.00 1.86 1.08 -0.59 -3.39 117.51 118.21 1a2z h ILE 156 Ca 0.22 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.24 1a2z h ILE 156 Cb 0.06 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.51 1a2z h ILE 156 CO -0.03 0.84 -1.14 -0.62 -0.69 0.00 0.00 178.15 176.51 1a2z n GLU 157 N -3.63 0.59 -0.08 2.37 -0.58 1.00 -4.98 120.64 115.33 1a2z n GLU 157 Ca -0.27 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1a2z n GLU 157 Cb 1.04 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 1a2z n GLU 157 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a2z n GLY 158 N 1.21 1.34 3.02 0.62 0.00 -0.30 -5.01 105.19 106.07 1a2z n GLY 158 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1a2z n GLY 158 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a2z s TYR 159 N -2.57 0.39 0.79 1.61 1.13 -1.24 -4.30 117.35 113.16 1a2z s TYR 159 Ca 0.00 -0.67 -0.12 0.00 -1.41 0.00 0.00 57.07 54.86 1a2z s TYR 159 Cb 0.00 -0.27 0.07 0.00 -1.10 0.00 0.00 41.96 40.66 1a2z s TYR 159 CO 0.00 -0.22 1.15 -1.25 -2.51 0.00 0.00 175.55 172.72 1a2z s PRO 160 N -2.16 1.89 0.23 -3.49 0.04 -1.24 -3.87 135.00 126.40 1a2z s PRO 160 Ca -0.09 1.52 0.07 0.00 0.04 0.00 0.00 61.00 62.54 1a2z s PRO 160 Cb -0.05 -1.83 0.23 0.00 0.04 0.00 0.00 34.50 32.89 1a2z s PRO 160 CO -0.03 -1.97 1.54 -0.07 0.04 0.00 0.00 177.00 176.50 1a2z h LEU 161 N -0.94 0.14 -7.85 -3.56 3.38 -1.01 -3.45 115.31 102.03 1a2z h LEU 161 Ca -0.45 -0.09 -0.33 0.00 0.09 0.00 0.00 57.88 57.10 1a2z h LEU 161 Cb 1.27 -0.04 -0.29 0.00 0.09 0.00 0.00 40.66 41.68 1a2z h LEU 161 CO 0.48 0.77 -0.75 -0.54 0.09 0.00 0.00 178.44 178.49 1a2z s LYS 162 N -3.55 0.42 0.05 1.13 1.02 -1.02 -4.96 119.74 112.83 1a2z s LYS 162 Ca -0.02 -0.14 -0.16 0.00 0.02 0.00 0.00 55.97 55.66 1a2z s LYS 162 Cb 0.12 -0.43 0.03 0.00 -0.52 0.00 0.00 37.83 37.03 1a2z s LYS 162 CO 0.79 0.06 0.37 0.00 -0.92 0.00 0.00 175.35 175.65 1a2z s ALA 163 N 0.09 -0.88 -0.01 5.17 0.00 -1.26 -1.51 121.76 123.37 1a2z s ALA 163 Ca -0.01 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 1a2z s ALA 163 Cb -0.04 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.48 1a2z s ALA 163 CO -0.00 -0.45 0.55 0.41 0.00 0.00 0.00 175.76 176.27 1a2z n GLY 164 N 0.48 0.44 3.13 0.00 0.00 -0.84 -0.86 105.19 107.54 1a2z n GLY 164 Ca -0.18 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 1a2z n GLY 164 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a2z s PHE 165 N -2.59 1.08 -0.05 1.61 2.19 -1.26 -1.21 117.98 117.75 1a2z s PHE 165 Ca 0.13 -0.42 0.01 0.00 0.33 0.00 0.00 56.93 56.98 1a2z s PHE 165 Cb -0.00 -0.62 0.02 0.00 -1.31 0.00 0.00 43.02 41.11 1a2z s PHE 165 CO -0.00 0.02 -0.05 0.42 1.83 0.00 0.00 175.22 177.44 1a2z s ILE 166 N -1.13 0.60 0.06 3.12 1.01 -0.04 -0.62 121.20 124.20 1a2z s ILE 166 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 1a2z s ILE 166 Cb -0.09 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1a2z s ILE 166 CO 0.02 0.24 0.25 -1.00 0.00 0.00 0.00 174.94 174.45 1a2z s HIS 167 N 0.96 3.52 0.14 3.97 3.76 -0.02 -2.01 115.29 125.63 1a2z s HIS 167 Ca -0.10 0.39 0.09 0.00 -0.15 0.00 0.00 55.06 55.29 1a2z s HIS 167 Cb -0.14 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 1a2z s HIS 167 CO 0.00 0.57 -0.20 0.14 -0.85 0.00 0.00 174.74 174.40 1a2z s VAL 168 N -1.48 1.84 0.98 -0.90 -7.23 -0.06 -1.56 120.40 111.98 1a2z s VAL 168 Ca 0.34 -1.79 -0.12 0.00 -1.81 0.00 0.00 61.98 58.60 1a2z s VAL 168 Cb -0.13 -1.77 0.17 0.00 0.56 0.00 0.00 36.38 35.22 1a2z s VAL 168 CO 0.24 -0.19 1.09 -2.84 -0.31 0.00 0.00 175.10 173.08 1a2z s PRO 169 N -2.44 0.61 0.69 4.82 0.02 -1.26 -1.22 135.00 136.22 1a2z s PRO 169 Ca 0.13 0.59 -0.17 0.00 0.02 0.00 0.00 61.00 61.57 1a2z s PRO 169 Cb -0.08 -1.75 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 1a2z s PRO 169 CO 0.06 -2.62 0.72 0.66 -0.33 0.00 0.00 177.00 175.49 1a2z n TYR 170 N -4.11 -0.11 -2.89 6.54 4.01 -1.26 -4.69 117.16 114.65 1a2z n TYR 170 Ca 0.06 0.39 -0.28 0.00 -0.16 0.00 0.00 57.90 57.90 1a2z n TYR 170 Cb 0.57 -2.00 -0.02 0.00 -0.31 0.00 0.00 39.34 37.58 1a2z n TYR 170 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1a2z s THR 171 N -1.81 4.89 0.37 -0.72 -4.23 -1.26 -0.38 115.64 112.51 1a2z s THR 171 Ca 0.70 0.30 0.07 0.00 -1.18 0.00 0.00 61.69 61.57 1a2z s THR 171 Cb -0.37 -3.79 0.30 0.00 1.34 0.00 0.00 72.50 69.98 1a2z s THR 171 CO 0.54 -0.61 1.96 -0.65 -0.54 0.00 0.00 174.62 175.31 1a2z h PRO 172 N 0.92 0.70 0.00 3.99 0.11 -1.91 -0.41 132.00 135.40 1a2z h PRO 172 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1a2z h PRO 172 Cb 1.20 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1a2z h PRO 172 CO 0.63 0.46 -0.05 0.38 -0.21 0.00 0.00 178.00 179.21 1a2z h ASP 173 N 0.72 0.00 1.53 -2.05 2.03 -1.95 -2.07 116.42 114.62 1a2z h ASP 173 Ca 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.62 1a2z h ASP 173 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1a2z h ASP 173 CO -0.11 0.05 0.00 1.56 -1.03 0.00 0.00 179.24 179.71 1a2z h GLN 174 N 0.00 0.00 -0.24 4.15 4.20 -1.44 -3.33 115.11 118.45 1a2z h GLN 174 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1a2z h GLN 174 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1a2z h GLN 174 CO 0.01 0.00 0.00 1.33 -0.67 0.00 0.00 178.83 179.50 1a2z n VAL 175 N -2.60 1.38 0.25 -0.54 0.24 -0.78 -4.70 118.33 111.59 1a2z n VAL 175 Ca 0.04 -1.31 0.08 0.00 -2.04 0.00 0.00 64.34 61.11 1a2z n VAL 175 Cb 0.43 0.26 0.63 0.00 -1.47 0.00 0.00 33.84 33.69 1a2z n VAL 175 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1a2z h VAL 176 N 1.48 1.01 -0.38 3.34 -1.51 -1.67 -1.01 116.25 117.51 1a2z h VAL 176 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1a2z h VAL 176 Cb 0.89 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1a2z h VAL 176 CO 0.06 0.01 0.00 0.59 -1.23 0.00 0.00 177.57 177.00 1a2z n ASN 177 N -4.52 3.68 -4.38 4.19 3.02 -1.26 -4.96 115.26 111.03 1a2z n ASN 177 Ca -0.03 -2.46 -0.34 0.00 -0.03 0.00 0.00 54.58 51.72 1a2z n ASN 177 Cb 0.10 -0.42 -0.14 0.00 -0.61 0.00 0.00 39.78 38.71 1a2z n ASN 177 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a2z s LYS 178 N -1.84 3.46 -0.17 3.52 1.02 -0.38 -5.08 119.74 120.25 1a2z s LYS 178 Ca 0.36 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.75 1a2z s LYS 178 Cb 0.25 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1a2z s LYS 178 CO 0.15 0.04 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.37 1a2z s PHE 179 N 0.85 2.70 -0.12 3.18 0.40 -1.26 -1.18 117.98 122.54 1a2z s PHE 179 Ca -0.02 -1.58 0.15 0.00 -0.60 0.00 0.00 56.93 54.89 1a2z s PHE 179 Cb -0.15 -1.87 -0.06 0.00 0.51 0.00 0.00 43.02 41.45 1a2z s PHE 179 CO 0.01 -0.78 1.10 0.27 0.70 0.00 0.00 175.22 176.52 1a2z h PHE 180 N 7.91 0.00 -4.00 0.36 -0.00 -1.59 -3.45 116.94 116.17 1a2z h PHE 180 Ca -0.44 0.00 -0.24 0.00 -0.00 0.00 0.00 57.97 57.29 1a2z h PHE 180 Cb 1.14 0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 36.95 1a2z h PHE 180 CO 0.47 0.58 -0.66 -0.51 -0.00 0.00 0.00 178.31 178.19 1a2z s LEU 181 N -6.12 2.05 -0.00 2.10 1.43 -1.20 -5.04 118.68 111.90 1a2z s LEU 181 Ca 0.00 -1.17 -0.32 0.00 -1.03 0.00 0.00 54.13 51.62 1a2z s LEU 181 Cb 0.08 0.07 -0.10 0.00 0.03 0.00 0.00 46.19 46.27 1a2z s LEU 181 CO 0.79 -0.62 1.92 -0.11 0.23 0.00 0.00 176.35 178.56 1a2z n LEU 182 N -0.17 3.87 0.00 1.79 7.94 -1.26 -1.20 117.00 127.98 1a2z n LEU 182 Ca -0.07 0.94 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 1a2z n LEU 182 Cb 0.63 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.11 1a2z n LEU 182 CO 0.32 0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.31 1a2z n GLY 183 N 4.46 0.56 2.94 -3.96 0.00 -1.26 -5.00 105.19 102.93 1a2z n GLY 183 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1a2z n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2z s LYS 184 N -0.32 1.59 0.51 1.61 1.02 -0.34 -5.10 119.74 118.71 1a2z s LYS 184 Ca 0.00 -0.31 -0.21 0.00 0.02 0.00 0.00 55.97 55.47 1a2z s LYS 184 Cb 0.00 -1.54 -0.07 0.00 -0.52 0.00 0.00 37.83 35.71 1a2z s LYS 184 CO 0.00 -0.17 1.13 -0.80 -0.92 0.00 0.00 175.35 174.59 1a2z s ASN 185 N 1.37 5.95 0.43 2.83 0.01 -1.26 -1.80 114.94 122.47 1a2z s ASN 185 Ca -0.01 2.20 -0.25 0.00 -0.71 0.00 0.00 52.86 54.09 1a2z s ASN 185 Cb -0.14 -2.59 -0.10 0.00 0.41 0.00 0.00 41.25 38.84 1a2z s ASN 185 CO -0.05 -1.06 1.20 0.41 -1.51 0.00 0.00 177.10 176.10 1a2z n THR 186 N -0.95 2.63 -1.22 1.60 -1.04 -0.32 -4.54 114.28 110.43 1a2z n THR 186 Ca 0.10 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.27 1a2z n THR 186 Cb 0.50 -1.46 0.11 0.00 -1.82 0.00 0.00 70.33 67.67 1a2z n THR 186 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1a2z s PRO 187 N -2.20 1.82 0.33 -2.82 0.02 -1.26 -4.90 135.00 125.98 1a2z s PRO 187 Ca 0.62 1.73 -0.07 0.00 0.02 0.00 0.00 61.00 63.31 1a2z s PRO 187 Cb -0.51 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.22 1a2z s PRO 187 CO 0.57 -2.07 0.52 -1.54 -0.33 0.00 0.00 177.00 174.15 1a2z s SER 188 N -2.17 0.54 -0.16 2.53 1.04 -1.26 -4.55 113.70 109.66 1a2z s SER 188 Ca 0.73 -1.31 -0.09 0.00 0.48 0.00 0.00 55.95 55.76 1a2z s SER 188 Cb -0.28 0.68 0.06 0.00 0.10 0.00 0.00 66.02 66.57 1a2z s SER 188 CO 0.49 -1.33 0.40 -0.32 0.98 0.00 0.00 173.24 173.46 1a2z s MET 189 N -3.14 0.39 0.51 4.02 1.75 0.49 -4.90 119.30 118.41 1a2z s MET 189 Ca 0.26 0.75 -0.22 0.00 -1.25 0.00 0.00 55.69 55.23 1a2z s MET 189 Cb -0.01 -0.01 -0.07 0.00 2.84 0.00 0.00 34.83 37.58 1a2z s MET 189 CO 0.16 -0.15 1.22 0.00 -0.65 0.00 0.00 175.02 175.60 1a2z h LEU 191 N 1.44 0.62 -1.31 0.00 6.46 -1.97 -1.83 115.31 118.71 1a2z h LEU 191 Ca -0.49 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.28 1a2z h LEU 191 Cb 1.32 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 41.07 1a2z h LEU 191 CO 0.57 0.42 0.47 -0.33 -0.62 0.00 0.00 178.44 178.94 1a2z h GLU 192 N 0.71 0.92 -0.30 1.25 3.07 -1.99 0.14 114.58 118.39 1a2z h GLU 192 Ca 0.26 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.92 1a2z h GLU 192 Cb 0.13 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1a2z h GLU 192 CO -0.07 0.61 -0.39 0.00 -1.40 0.00 0.00 179.01 177.76 1a2z h ALA 193 N 1.56 0.76 -0.69 3.43 0.00 -1.70 -1.09 119.26 121.52 1a2z h ALA 193 Ca 0.26 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1a2z h ALA 193 Cb -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1a2z h ALA 193 CO -0.06 0.66 0.12 0.93 0.00 0.00 0.00 179.25 180.90 1a2z h GLU 194 N 0.58 1.13 -0.24 0.00 5.08 -0.98 -0.58 114.58 119.56 1a2z h GLU 194 Ca 0.05 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1a2z h GLU 194 Cb 0.92 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1a2z h GLU 194 CO 0.08 1.02 -0.01 0.82 -1.00 0.00 0.00 179.01 179.92 1a2z h ILE 195 N 1.06 1.26 -0.59 3.13 2.04 -0.60 -2.06 117.51 121.75 1a2z h ILE 195 Ca 0.21 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 1a2z h ILE 195 Cb 0.43 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1a2z h ILE 195 CO 0.01 0.29 0.23 0.50 0.00 0.00 0.00 178.15 179.19 1a2z h LYS 196 N 0.20 0.85 -0.71 2.37 1.63 -1.04 -0.67 116.57 119.19 1a2z h LYS 196 Ca 0.07 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1a2z h LYS 196 Cb 0.44 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.88 1a2z h LYS 196 CO 0.02 0.70 0.46 0.00 -3.45 0.00 0.00 179.45 177.18 1a2z h ALA 197 N 1.41 0.91 -0.31 5.00 0.00 -0.85 -1.29 119.26 124.13 1a2z h ALA 197 Ca 0.20 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1a2z h ALA 197 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1a2z h ALA 197 CO -0.02 0.35 -0.43 0.82 0.00 0.00 0.00 179.25 179.97 1a2z h ILE 198 N 0.97 1.29 -0.08 0.00 1.08 -1.00 0.14 117.51 119.90 1a2z h ILE 198 Ca 0.26 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 1a2z h ILE 198 Cb -0.08 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 1a2z h ILE 198 CO -0.05 0.53 0.04 -0.08 -0.69 0.00 0.00 178.15 177.89 1a2z h GLU 199 N 0.63 0.09 -0.92 2.37 4.81 -0.76 -1.68 114.58 119.12 1a2z h GLU 199 Ca 0.04 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1a2z h GLU 199 Cb 1.00 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 1a2z h GLU 199 CO 0.10 0.06 0.57 -0.07 -0.73 0.00 0.00 179.01 178.93 1a2z h LEU 200 N 0.09 1.08 -1.03 1.64 3.38 -1.10 -1.28 115.31 118.09 1a2z h LEU 200 Ca 0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1a2z h LEU 200 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1a2z h LEU 200 CO -0.02 0.82 0.55 0.00 0.09 0.00 0.00 178.44 179.87 1a2z h ALA 201 N 1.31 1.28 -0.23 1.53 0.00 -0.58 -0.73 119.26 121.84 1a2z h ALA 201 Ca 0.33 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1a2z h ALA 201 Cb -0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1a2z h ALA 201 CO -0.07 0.63 -0.06 0.28 0.00 0.00 0.00 179.25 180.04 1a2z h VAL 202 N 1.23 1.28 -0.25 0.00 2.07 -1.01 -0.57 116.25 119.01 1a2z h VAL 202 Ca 0.32 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1a2z h VAL 202 Cb -0.07 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1a2z h VAL 202 CO -0.06 0.32 0.15 0.11 0.02 0.00 0.00 177.57 178.11 1a2z h LYS 203 N 0.17 0.34 -0.60 1.57 1.57 -0.77 -0.08 116.57 118.77 1a2z h LYS 203 Ca 0.06 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1a2z h LYS 203 Cb 0.51 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1a2z h LYS 203 CO 0.02 0.28 0.14 0.28 -0.57 0.00 0.00 179.45 179.60 1a2z h VAL 204 N 0.30 1.25 -0.57 0.50 2.07 -1.14 -0.28 116.25 118.38 1a2z h VAL 204 Ca 0.09 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1a2z h VAL 204 Cb 0.03 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1a2z h VAL 204 CO -0.02 0.34 0.29 0.28 0.02 0.00 0.00 177.57 178.49 1a2z h SER 205 N 0.88 0.73 -0.38 0.57 0.02 -0.74 -0.07 113.55 114.55 1a2z h SER 205 Ca 0.19 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1a2z h SER 205 Cb 0.36 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1a2z h SER 205 CO 0.00 0.64 -0.09 0.25 -1.14 0.00 0.00 176.83 176.49 1a2z h LEU 206 N 0.77 0.74 -0.13 5.07 7.12 -0.86 -1.22 115.31 126.80 1a2z h LEU 206 Ca 0.20 -0.36 0.04 0.00 0.13 0.00 0.00 57.88 57.88 1a2z h LEU 206 Cb 0.09 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 39.97 1a2z h LEU 206 CO -0.03 0.93 -0.13 -0.78 -0.13 0.00 0.00 178.44 178.31 1a2z h ASP 207 N 0.54 -0.39 -0.21 1.25 3.58 -0.83 0.31 116.42 120.68 1a2z h ASP 207 Ca 0.10 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.58 1a2z h ASP 207 Cb 0.61 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 1a2z h ASP 207 CO 0.04 -0.17 -0.00 1.88 -2.88 0.00 0.00 179.24 178.11 1a2z h TYR 208 N -0.15 0.50 -0.02 0.28 -1.99 -0.87 -0.12 116.97 114.60 1a2z h TYR 208 Ca 0.09 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1a2z h TYR 208 Cb 0.28 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 38.86 1a2z h TYR 208 CO -0.25 0.50 -0.00 1.25 -0.00 0.00 0.00 178.16 179.66 1a2z h LEU 209 N 0.47 0.03 -0.78 3.88 5.85 -0.63 0.35 115.31 124.48 1a2z h LEU 209 Ca 0.10 -0.35 -0.13 0.00 0.84 0.00 0.00 57.88 58.35 1a2z h LEU 209 Cb 0.31 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1a2z h LEU 209 CO 0.01 0.37 -0.45 -0.33 -0.34 0.00 0.00 178.44 177.70 1a2z h GLU 210 N -0.31 0.36 -0.01 1.25 5.08 -0.73 -2.74 114.58 117.49 1a2z h GLU 210 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1a2z h GLU 210 Cb 0.36 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1a2z h GLU 210 CO 0.00 0.75 -0.11 1.63 -1.00 0.00 0.00 179.01 180.28 1a2z n LYS 211 N -4.00 1.29 -2.71 2.33 5.02 -0.08 -4.93 118.16 115.09 1a2z n LYS 211 Ca -0.02 -0.73 -0.18 0.00 -2.02 0.00 0.00 58.31 55.36 1a2z n LYS 211 Cb 0.52 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.06 1a2z n LYS 211 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1a2z n ASP 212 N -0.21 -5.24 -4.85 4.39 2.03 -0.87 -4.95 116.55 106.85 1a2z n ASP 212 Ca 0.16 -0.17 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 1a2z n ASP 212 Cb 0.35 -4.16 -0.06 0.00 -0.72 0.00 0.00 41.12 36.53 1a2z n ASP 212 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1a2z s ARG 213 N -5.29 3.82 0.60 -0.67 0.52 0.06 -5.04 118.95 112.94 1a2z s ARG 213 Ca 0.17 0.30 -0.17 0.00 -0.52 0.00 0.00 55.73 55.51 1a2z s ARG 213 Cb -0.08 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1a2z s ARG 213 CO 0.21 0.69 1.11 0.16 0.02 0.00 0.00 175.30 177.50 1a2z s ASP 214 N -1.14 5.49 0.92 0.23 -4.77 -1.26 -4.70 116.67 111.43 1a2z s ASP 214 Ca 0.23 2.05 -0.11 0.00 -3.30 0.00 0.00 52.55 51.43 1a2z s ASP 214 Cb -0.16 -2.56 0.14 0.00 -1.09 0.00 0.00 42.92 39.26 1a2z s ASP 214 CO 0.12 -1.37 1.11 -0.62 0.70 0.00 0.00 175.17 175.11 1a2z s ASP 215 N -2.24 3.05 0.75 2.11 2.15 -1.26 -4.97 116.67 116.27 1a2z s ASP 215 Ca 0.69 1.93 -0.12 0.00 0.43 0.00 0.00 52.55 55.48 1a2z s ASP 215 Cb -0.21 -2.47 0.04 0.00 -0.30 0.00 0.00 42.92 39.98 1a2z s ASP 215 CO 0.34 -2.97 1.10 0.27 -0.17 0.00 0.00 175.17 173.74 1a2z s ILE 216 N -2.71 3.21 -0.30 4.11 -4.36 -1.26 -5.01 121.20 114.87 1a2z s ILE 216 Ca 0.65 0.39 0.07 0.00 -0.26 0.00 0.00 60.65 61.50 1a2z s ILE 216 Cb -0.21 -3.29 0.46 0.00 1.25 0.00 0.00 42.46 40.66 1a2z s ILE 216 CO 0.58 -0.51 1.21 0.29 0.24 0.00 0.00 174.94 176.75 1a2z n LYS 217 N -3.20 3.59 -3.23 0.37 5.02 -1.26 -4.78 118.16 114.68 1a2z n LYS 217 Ca 0.07 -4.16 -0.38 0.00 -2.02 0.00 0.00 58.31 51.82 1a2z n LYS 217 Cb 0.57 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.25 1a2z n LYS 217 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1a2z s ILE 218 N -4.64 5.14 0.42 -0.18 1.01 -1.26 -5.05 121.20 116.63 1a2z s ILE 218 Ca 0.51 1.11 -0.26 0.00 0.00 0.00 0.00 60.65 62.01 1a2z s ILE 218 Cb 0.41 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.90 1a2z s ILE 218 CO 0.03 0.31 1.42 -2.84 0.00 0.00 0.00 174.94 173.86 1a2z s PRO 219 N 0.64 3.89 0.00 2.79 0.02 -1.26 -5.04 135.00 136.04 1a2z s PRO 219 Ca 0.30 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1a2z s PRO 219 Cb -0.16 -2.79 0.00 0.00 0.02 0.00 0.00 34.50 31.57 1a2z s PRO 219 CO 0.13 -0.65 0.36 1.28 -0.33 0.00 0.00 177.00 177.79