#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9b h SER 2 N 0.00 1.00 -5.30 1.61 4.64 -1.44 -3.47 113.55 110.58 1a9b h SER 2 Ca 0.00 -0.40 -0.15 0.00 -0.47 0.00 0.00 61.79 60.78 1a9b h SER 2 Cb 0.00 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 61.75 1a9b h SER 2 CO 0.00 1.19 -0.04 -1.00 -0.87 0.00 0.00 176.83 176.11 1a9b s HIS 3 N -4.59 0.61 -0.11 4.77 4.02 -1.19 -5.02 115.29 113.78 1a9b s HIS 3 Ca -0.11 -1.00 -0.30 0.00 1.02 0.00 0.00 55.06 54.67 1a9b s HIS 3 Cb 0.12 0.25 0.12 0.00 -1.02 0.00 0.00 32.58 32.05 1a9b s HIS 3 CO 0.87 -1.22 1.00 -1.54 1.02 0.00 0.00 174.74 174.87 1a9b s SER 4 N -3.13 -0.31 -0.02 1.40 1.04 -1.26 -0.17 113.70 111.24 1a9b s SER 4 Ca 0.24 0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.87 1a9b s SER 4 Cb -0.02 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1a9b s SER 4 CO 0.15 -0.43 -0.18 -0.32 0.98 0.00 0.00 173.24 173.45 1a9b s MET 5 N -2.18 1.53 0.02 4.02 0.00 -0.74 -0.73 119.30 121.23 1a9b s MET 5 Ca 0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 55.69 55.04 1a9b s MET 5 Cb -0.01 -1.44 -0.01 0.00 0.00 0.00 0.00 34.83 33.38 1a9b s MET 5 CO -0.04 0.35 0.09 1.03 0.00 0.00 0.00 175.02 176.45 1a9b s ARG 6 N -0.30 0.50 0.06 4.11 1.81 -0.19 -1.73 118.95 123.22 1a9b s ARG 6 Ca 0.04 -0.59 0.06 0.00 -1.72 0.00 0.00 55.73 53.52 1a9b s ARG 6 Cb -0.08 0.20 -0.03 0.00 -0.45 0.00 0.00 34.95 34.59 1a9b s ARG 6 CO 0.00 -0.12 -0.17 0.71 -0.68 0.00 0.00 175.30 175.04 1a9b s TYR 7 N -1.94 1.48 -0.20 -0.53 2.02 -0.18 0.12 117.35 118.12 1a9b s TYR 7 Ca -0.11 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.20 1a9b s TYR 7 Cb -0.05 -0.85 0.05 0.00 -0.40 0.00 0.00 41.96 40.70 1a9b s TYR 7 CO -0.01 0.09 -0.07 -0.06 -1.57 0.00 0.00 175.55 173.93 1a9b s PHE 8 N -0.99 2.11 -0.06 2.71 0.08 -0.45 -2.59 117.98 118.79 1a9b s PHE 8 Ca 0.03 -1.44 -0.06 0.00 0.12 0.00 0.00 56.93 55.58 1a9b s PHE 8 Cb -0.09 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1a9b s PHE 8 CO 0.02 -0.70 0.19 0.71 -0.10 0.00 0.00 175.22 175.34 1a9b s TYR 9 N 1.49 3.59 -0.21 0.36 1.51 0.74 -1.93 117.35 122.90 1a9b s TYR 9 Ca -0.02 0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 56.52 1a9b s TYR 9 Cb -0.17 -1.94 0.09 0.00 -0.11 0.00 0.00 41.96 39.84 1a9b s TYR 9 CO -0.07 0.69 0.21 0.99 -1.11 0.00 0.00 175.55 176.25 1a9b s THR 10 N -1.16 -0.29 -0.23 -0.71 2.01 0.15 -0.98 115.64 114.43 1a9b s THR 10 Ca 0.21 -0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1a9b s THR 10 Cb -0.13 -0.72 0.03 0.00 0.01 0.00 0.00 72.50 71.69 1a9b s THR 10 CO 0.11 -0.28 -0.10 0.00 -0.69 0.00 0.00 174.62 173.66 1a9b s ALA 11 N 2.29 2.60 -0.01 7.40 0.00 0.23 -0.77 121.76 133.50 1a9b s ALA 11 Ca 0.07 -1.44 0.07 0.00 0.00 0.00 0.00 51.96 50.66 1a9b s ALA 11 Cb -0.16 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 1a9b s ALA 11 CO -0.15 -0.74 -0.23 1.41 0.00 0.00 0.00 175.76 176.04 1a9b s MET 12 N 1.29 1.83 -0.01 0.00 1.75 -0.13 -0.49 119.30 123.55 1a9b s MET 12 Ca 0.00 -0.85 -0.22 0.00 -1.25 0.00 0.00 55.69 53.37 1a9b s MET 12 Cb -0.16 -1.80 -0.05 0.00 2.84 0.00 0.00 34.83 35.66 1a9b s MET 12 CO -0.06 0.49 0.67 -1.54 -0.65 0.00 0.00 175.02 173.92 1a9b s SER 13 N -0.63 7.04 -0.82 1.11 1.04 -0.72 -0.26 113.70 120.46 1a9b s SER 13 Ca 0.09 1.24 0.02 0.00 0.48 0.00 0.00 55.95 57.78 1a9b s SER 13 Cb -0.09 -2.40 0.25 0.00 0.10 0.00 0.00 66.02 63.88 1a9b s SER 13 CO -0.00 0.02 0.92 0.54 0.98 0.00 0.00 173.24 175.69 1a9b n ARG 14 N 3.01 2.98 -1.67 4.02 1.74 -1.25 -4.14 116.66 121.33 1a9b n ARG 14 Ca -0.04 -4.58 -0.46 0.00 -0.77 0.00 0.00 57.85 52.00 1a9b n ARG 14 Cb 0.51 -2.36 -0.04 0.00 -1.02 0.00 0.00 32.46 29.55 1a9b n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1a9b n PRO 15 N 1.42 2.22 0.00 5.56 -0.04 -1.26 -1.09 135.00 141.81 1a9b n PRO 15 Ca 0.26 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.52 1a9b n PRO 15 Cb 0.38 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1a9b n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a9b n GLY 16 N 3.54 2.93 0.10 0.55 0.00 -1.26 -4.70 105.19 106.35 1a9b n GLY 16 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1a9b n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9b n ARG 17 N -1.98 0.72 -3.46 1.61 1.74 -0.60 -5.12 116.66 109.56 1a9b n ARG 17 Ca 0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1a9b n ARG 17 Cb 0.00 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1a9b n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a9b n GLY 18 N 2.36 -0.98 3.79 -0.13 0.00 -0.25 -5.10 105.19 104.88 1a9b n GLY 18 Ca -0.35 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 1a9b n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a9b s GLU 19 N -0.93 2.01 0.17 1.61 2.02 -1.26 -3.90 118.70 118.43 1a9b s GLU 19 Ca 0.00 0.70 -0.32 0.00 0.02 0.00 0.00 54.97 55.37 1a9b s GLU 19 Cb 0.00 -1.90 -0.12 0.00 0.10 0.00 0.00 34.13 32.20 1a9b s GLU 19 CO 0.00 -1.69 1.73 -2.30 0.02 0.00 0.00 175.26 173.02 1a9b n PRO 20 N -3.49 2.62 -3.08 0.39 -0.02 -1.26 -4.25 135.00 125.91 1a9b n PRO 20 Ca 0.07 0.95 -0.39 0.00 -2.02 0.00 0.00 63.50 62.11 1a9b n PRO 20 Cb 0.56 -2.79 -0.06 0.00 -0.02 0.00 0.00 33.50 31.19 1a9b n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1a9b s ARG 21 N 1.60 4.45 -0.11 -0.52 3.52 0.64 -4.87 118.95 123.65 1a9b s ARG 21 Ca 0.78 1.02 0.01 0.00 -0.13 0.00 0.00 55.73 57.41 1a9b s ARG 21 Cb -0.55 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 29.61 1a9b s ARG 21 CO 0.35 0.59 -0.11 0.12 -0.81 0.00 0.00 175.30 175.44 1a9b s PHE 22 N -1.10 1.70 -0.02 5.12 5.36 -1.26 -0.95 117.98 126.82 1a9b s PHE 22 Ca 0.34 -0.82 0.05 0.00 -0.96 0.00 0.00 56.93 55.53 1a9b s PHE 22 Cb -0.22 -1.30 -0.01 0.00 -0.34 0.00 0.00 43.02 41.15 1a9b s PHE 22 CO 0.24 -0.49 -0.17 0.42 -1.46 0.00 0.00 175.22 173.76 1a9b s ILE 23 N 1.31 1.36 -0.02 3.12 1.01 0.05 -1.30 121.20 126.74 1a9b s ILE 23 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1a9b s ILE 23 Cb -0.14 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.19 1a9b s ILE 23 CO -0.05 0.39 -0.03 0.00 0.00 0.00 0.00 174.94 175.25 1a9b s ALA 24 N -0.25 0.39 0.07 9.38 0.00 -0.20 -0.67 121.76 130.48 1a9b s ALA 24 Ca 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.01 1a9b s ALA 24 Cb -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1a9b s ALA 24 CO 0.00 0.02 -0.18 0.14 0.00 0.00 0.00 175.76 175.74 1a9b s VAL 25 N 0.41 1.46 0.01 0.00 -7.23 -0.81 -0.65 120.40 113.60 1a9b s VAL 25 Ca -0.04 -1.31 0.06 0.00 -1.81 0.00 0.00 61.98 58.88 1a9b s VAL 25 Cb -0.08 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 1a9b s VAL 25 CO -0.01 -0.02 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.76 1a9b s GLY 26 N -1.55 1.53 0.06 2.32 0.00 -0.96 -1.35 107.32 107.37 1a9b s GLY 26 Ca 0.04 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.67 1a9b s GLY 26 CO 0.03 -0.98 -0.10 -0.19 0.00 0.00 0.00 173.10 171.87 1a9b s TYR 27 N -0.84 0.86 -0.23 1.90 1.51 0.12 -0.92 117.35 119.75 1a9b s TYR 27 Ca 0.13 -0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1a9b s TYR 27 Cb -0.10 -0.50 0.07 0.00 -0.11 0.00 0.00 41.96 41.32 1a9b s TYR 27 CO 0.03 -0.04 0.08 0.08 -1.11 0.00 0.00 175.55 174.58 1a9b s VAL 28 N -1.59 0.33 0.00 0.71 1.01 0.34 -1.02 120.40 120.18 1a9b s VAL 28 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1a9b s VAL 28 Cb -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1a9b s VAL 28 CO 0.01 -0.40 0.00 0.47 0.00 0.00 0.00 175.10 175.17 1a9b n ASP 29 N 5.10 0.00 -1.77 3.32 8.00 0.09 -1.26 116.55 130.04 1a9b n ASP 29 Ca -0.07 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.35 1a9b n ASP 29 Cb 0.46 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.77 1a9b n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1a9b n ASP 30 N 5.60 4.03 -4.07 -2.24 9.92 -1.26 -4.87 116.55 123.66 1a9b n ASP 30 Ca 0.00 -2.99 -0.29 0.00 -0.53 0.00 0.00 54.79 50.98 1a9b n ASP 30 Cb 0.00 -0.71 -0.17 0.00 -0.64 0.00 0.00 41.12 39.61 1a9b n ASP 30 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1a9b s THR 31 N -2.43 1.57 0.33 -3.53 2.01 -0.39 -5.00 115.64 108.21 1a9b s THR 31 Ca 0.42 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.58 1a9b s THR 31 Cb 0.34 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 71.34 1a9b s THR 31 CO 0.10 0.46 0.74 -1.58 -0.69 0.00 0.00 174.62 173.65 1a9b s GLN 32 N 0.93 4.00 0.00 4.92 0.74 -1.26 -0.51 119.66 128.48 1a9b s GLN 32 Ca -0.07 0.67 0.00 0.00 0.05 0.00 0.00 55.36 56.01 1a9b s GLN 32 Cb -0.15 -2.42 0.00 0.00 1.10 0.00 0.00 33.01 31.54 1a9b s GLN 32 CO -0.01 0.14 0.00 1.97 -0.55 0.00 0.00 175.29 176.84 1a9b n PHE 33 N -0.42 0.00 -4.13 1.67 -1.74 -0.10 -4.11 117.46 108.63 1a9b n PHE 33 Ca 0.04 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.83 1a9b n PHE 33 Cb 0.53 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.43 1a9b n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1a9b s VAL 34 N -0.17 0.10 -0.17 1.97 -7.23 -1.24 0.16 120.40 113.82 1a9b s VAL 34 Ca 0.00 -1.85 -0.20 0.00 -1.81 0.00 0.00 61.98 58.12 1a9b s VAL 34 Cb 0.00 -2.00 0.05 0.00 0.56 0.00 0.00 36.38 34.99 1a9b s VAL 34 CO 0.00 -0.47 0.54 -0.60 -0.31 0.00 0.00 175.10 174.26 1a9b s ARG 35 N -4.04 0.69 -0.04 4.82 3.52 -0.68 -2.27 118.95 120.97 1a9b s ARG 35 Ca 0.23 0.60 -0.00 0.00 -0.13 0.00 0.00 55.73 56.43 1a9b s ARG 35 Cb 0.07 0.33 0.03 0.00 -1.56 0.00 0.00 34.95 33.82 1a9b s ARG 35 CO 0.01 -0.12 0.01 0.12 -0.81 0.00 0.00 175.30 174.51 1a9b s PHE 36 N -0.06 0.31 -0.28 5.12 5.36 0.18 -1.10 117.98 127.52 1a9b s PHE 36 Ca -0.03 0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 55.95 1a9b s PHE 36 Cb -0.03 -0.46 0.09 0.00 -0.34 0.00 0.00 43.02 42.27 1a9b s PHE 36 CO 0.02 -0.16 0.06 0.34 -1.46 0.00 0.00 175.22 174.03 1a9b s ASP 37 N 1.31 3.79 0.00 6.13 -1.08 -1.26 -1.04 116.67 124.51 1a9b s ASP 37 Ca -0.06 -1.42 0.04 0.00 -0.52 0.00 0.00 52.55 50.59 1a9b s ASP 37 Cb -0.13 -0.86 0.17 0.00 -1.46 0.00 0.00 42.92 40.64 1a9b s ASP 37 CO -0.02 -0.37 1.08 -1.54 0.52 0.00 0.00 175.17 174.84 1a9b n SER 38 N 4.85 0.00 -1.80 -0.34 3.41 -0.42 -1.77 113.62 117.55 1a9b n SER 38 Ca -0.05 0.43 -0.15 0.00 -0.26 0.00 0.00 58.87 58.85 1a9b n SER 38 Cb 0.43 -0.45 0.19 0.00 -0.26 0.00 0.00 64.21 64.13 1a9b n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1a9b n ASP 39 N -1.45 3.31 -5.03 4.04 2.03 -1.26 -4.81 116.55 113.38 1a9b n ASP 39 Ca 0.01 -3.66 -0.19 0.00 0.52 0.00 0.00 54.79 51.47 1a9b n ASP 39 Cb 0.04 -0.76 0.05 0.00 -0.72 0.00 0.00 41.12 39.73 1a9b n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a9b s ALA 40 N -3.26 4.66 0.15 -1.67 0.00 -0.73 -5.03 121.76 115.87 1a9b s ALA 40 Ca 0.52 -2.02 -0.23 0.00 0.00 0.00 0.00 51.96 50.23 1a9b s ALA 40 Cb 0.45 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 22.12 1a9b s ALA 40 CO 0.07 -0.72 1.63 0.00 0.00 0.00 0.00 175.76 176.73 1a9b h ALA 41 N 0.30 -0.15 -2.88 0.00 0.00 -1.94 -3.36 119.26 111.23 1a9b h ALA 41 Ca -0.32 0.07 -0.55 0.00 0.00 0.00 0.00 54.91 54.11 1a9b h ALA 41 Cb 1.29 0.50 -0.40 0.00 0.00 0.00 0.00 17.79 19.18 1a9b h ALA 41 CO 0.42 -0.67 -0.78 -1.54 0.00 0.00 0.00 179.25 176.68 1a9b s SER 42 N -5.03 3.64 -0.89 0.00 1.04 -1.26 -5.07 113.70 106.14 1a9b s SER 42 Ca -0.15 -1.47 -0.29 0.00 0.48 0.00 0.00 55.95 54.52 1a9b s SER 42 Cb 0.12 -0.51 -0.19 0.00 0.10 0.00 0.00 66.02 65.53 1a9b s SER 42 CO 0.68 -0.42 2.61 -2.65 0.98 0.00 0.00 173.24 174.44 1a9b n PRO 43 N 5.02 0.23 -3.70 4.02 -0.02 -1.26 -4.85 135.00 134.45 1a9b n PRO 43 Ca -0.03 -0.01 -0.14 0.00 -2.02 0.00 0.00 63.50 61.29 1a9b n PRO 43 Cb 0.42 -1.93 -0.09 0.00 -0.02 0.00 0.00 33.50 31.88 1a9b n PRO 43 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1a9b s ARG 44 N 8.76 0.68 0.27 -0.52 1.70 -1.26 -4.97 118.95 123.61 1a9b s ARG 44 Ca 1.27 0.26 -0.29 0.00 -0.47 0.00 0.00 55.73 56.50 1a9b s ARG 44 Cb -0.99 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 33.61 1a9b s ARG 44 CO 0.44 -0.16 1.14 -0.08 -1.08 0.00 0.00 175.30 175.56 1a9b s THR 45 N -0.60 3.41 0.06 4.99 -1.32 -1.26 -4.64 115.64 116.28 1a9b s THR 45 Ca -0.07 1.38 0.09 0.00 -1.21 0.00 0.00 61.69 61.88 1a9b s THR 45 Cb -0.03 -3.88 -0.03 0.00 -1.51 0.00 0.00 72.50 67.05 1a9b s THR 45 CO 0.04 0.31 -0.25 -1.61 -2.21 0.00 0.00 174.62 170.90 1a9b s GLU 46 N -1.31 1.62 0.38 7.08 2.02 -0.26 -4.95 118.70 123.29 1a9b s GLU 46 Ca 0.46 -1.12 -0.24 0.00 0.02 0.00 0.00 54.97 54.09 1a9b s GLU 46 Cb -0.33 -1.84 -0.09 0.00 0.10 0.00 0.00 34.13 31.97 1a9b s GLU 46 CO 0.42 0.47 1.01 -1.25 0.02 0.00 0.00 175.26 175.92 1a9b s PRO 47 N -1.38 4.30 0.00 0.39 0.04 -1.26 -1.68 135.00 135.40 1a9b s PRO 47 Ca 0.11 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1a9b s PRO 47 Cb -0.10 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1a9b s PRO 47 CO 0.03 -0.00 0.73 0.54 0.04 0.00 0.00 177.00 178.33 1a9b n ARG 48 N 0.04 1.37 -3.74 4.56 5.12 0.12 -4.90 116.66 119.24 1a9b n ARG 48 Ca 0.04 -0.96 -0.12 0.00 -1.93 0.00 0.00 57.85 54.88 1a9b n ARG 48 Cb 0.50 -0.73 -0.12 0.00 -1.16 0.00 0.00 32.46 30.96 1a9b n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1a9b s ALA 49 N -0.46 -0.78 0.35 7.54 0.00 -1.24 -4.55 121.76 122.62 1a9b s ALA 49 Ca 0.00 1.07 0.10 0.00 0.00 0.00 0.00 51.96 53.13 1a9b s ALA 49 Cb 0.00 -0.65 0.85 0.00 0.00 0.00 0.00 23.12 23.32 1a9b s ALA 49 CO 0.00 -0.19 1.83 -1.35 0.00 0.00 0.00 175.76 176.05 1a9b h PRO 50 N 6.44 0.64 0.00 0.00 0.11 -1.95 -1.84 132.00 135.40 1a9b h PRO 50 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1a9b h PRO 50 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1a9b h PRO 50 CO 0.33 0.42 0.00 -2.67 -0.21 0.00 0.00 178.00 175.87 1a9b n TRP 51 N -4.62 0.77 0.42 0.65 4.27 -1.26 -2.04 117.44 115.62 1a9b n TRP 51 Ca 0.20 0.29 0.11 0.00 -3.89 0.00 0.00 57.50 54.22 1a9b n TRP 51 Cb 0.57 -0.97 0.03 0.00 -1.36 0.00 0.00 31.31 29.58 1a9b n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1a9b n ILE 52 N -2.19 0.28 0.07 -1.67 0.13 -0.70 -4.00 119.36 111.28 1a9b n ILE 52 Ca 0.03 -0.34 0.06 0.00 -1.10 0.00 0.00 62.75 61.40 1a9b n ILE 52 Cb 0.25 0.01 0.50 0.00 -0.84 0.00 0.00 39.64 39.56 1a9b n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1a9b h GLU 53 N 0.00 0.37 0.00 9.51 4.39 -1.35 -1.89 114.58 125.61 1a9b h GLU 53 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1a9b h GLU 53 Cb 0.81 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1a9b h GLU 53 CO 0.00 0.24 0.00 0.00 -1.16 0.00 0.00 179.01 178.09 1a9b n GLN 54 N -4.49 0.43 -2.95 2.33 10.64 -1.25 -4.76 117.38 117.32 1a9b n GLN 54 Ca 0.02 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.84 1a9b n GLN 54 Cb 0.10 -1.38 -0.06 0.00 -0.86 0.00 0.00 30.24 28.03 1a9b n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1a9b s GLU 55 N -2.00 4.31 0.82 2.61 0.41 -0.71 -5.05 118.70 119.09 1a9b s GLU 55 Ca 0.16 1.03 -0.11 0.00 -0.41 0.00 0.00 54.97 55.64 1a9b s GLU 55 Cb 0.07 -2.62 0.09 0.00 -1.78 0.00 0.00 34.13 29.88 1a9b s GLU 55 CO 0.12 0.22 1.09 0.20 -0.49 0.00 0.00 175.26 176.41 1a9b s GLY 56 N -1.86 1.65 0.61 -1.39 0.00 -1.26 -4.90 107.32 100.16 1a9b s GLY 56 Ca 0.51 0.08 0.33 0.00 0.00 0.00 0.00 44.72 45.65 1a9b s GLY 56 CO 0.19 0.49 2.24 -2.55 0.00 0.00 0.00 173.10 173.47 1a9b h PRO 57 N -1.28 0.00 -0.21 2.90 0.11 -1.96 -0.57 132.00 130.99 1a9b h PRO 57 Ca -0.46 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 1a9b h PRO 57 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1a9b h PRO 57 CO 0.54 0.00 0.07 1.49 -0.21 0.00 0.00 178.00 179.88 1a9b h GLU 58 N 0.00 0.16 -0.13 1.05 4.22 -1.99 0.33 114.58 118.21 1a9b h GLU 58 Ca 0.02 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.49 1a9b h GLU 58 Cb 0.14 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1a9b h GLU 58 CO -0.00 0.10 -0.14 -0.92 -2.18 0.00 0.00 179.01 175.87 1a9b h TYR 59 N 0.16 -0.35 -0.69 0.92 3.20 -1.45 -0.11 116.97 118.65 1a9b h TYR 59 Ca 0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1a9b h TYR 59 Cb 0.06 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1a9b h TYR 59 CO -0.12 -0.20 0.40 -1.49 -1.64 0.00 0.00 178.16 175.11 1a9b h TRP 60 N -0.17 0.93 -0.13 -3.82 4.06 -1.49 -1.29 115.95 114.04 1a9b h TRP 60 Ca 0.09 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.03 1a9b h TRP 60 Cb 0.30 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1a9b h TRP 60 CO -0.26 0.64 0.08 -0.44 -3.56 0.00 0.00 178.44 174.90 1a9b h ASP 61 N 0.94 0.16 -0.39 -3.49 5.19 -0.29 0.27 116.42 118.81 1a9b h ASP 61 Ca 0.25 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1a9b h ASP 61 Cb -0.00 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.45 1a9b h ASP 61 CO -0.04 0.14 0.22 -0.09 -3.12 0.00 0.00 179.24 176.35 1a9b h ARG 62 N 0.16 0.54 -0.01 3.56 2.43 -0.82 -1.13 114.38 119.11 1a9b h ARG 62 Ca 0.05 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1a9b h ARG 62 Cb 0.01 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1a9b h ARG 62 CO -0.01 0.43 -0.12 -0.91 -1.51 0.00 0.00 179.97 177.85 1a9b h ASN 63 N 0.50 -0.35 -0.79 -3.80 2.35 -1.04 0.32 115.58 112.77 1a9b h ASN 63 Ca 0.14 0.05 0.13 0.00 -0.55 0.00 0.00 56.30 56.07 1a9b h ASN 63 Cb 0.04 0.15 -0.09 0.00 0.05 0.00 0.00 38.32 38.47 1a9b h ASN 63 CO -0.02 -0.17 0.38 0.74 -1.65 0.00 0.00 177.43 176.71 1a9b h THR 64 N -0.20 0.74 -0.08 2.81 2.02 -0.64 0.16 112.91 117.73 1a9b h THR 64 Ca 0.05 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1a9b h THR 64 Cb 0.26 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1a9b h THR 64 CO -0.13 0.10 -0.02 1.56 0.37 0.00 0.00 175.52 177.41 1a9b h GLN 65 N 0.57 0.15 -0.85 6.66 1.08 -0.46 0.26 115.11 122.52 1a9b h GLN 65 Ca 0.42 -0.06 0.11 0.00 -1.45 0.00 0.00 58.65 57.68 1a9b h GLN 65 Cb 0.58 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.92 1a9b h GLN 65 CO -0.35 0.47 0.48 0.82 -0.95 0.00 0.00 178.83 179.30 1a9b h ILE 66 N -0.18 0.87 -0.09 2.54 2.04 -0.23 -0.86 117.51 121.61 1a9b h ILE 66 Ca 0.02 -0.27 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 1a9b h ILE 66 Cb 0.41 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1a9b h ILE 66 CO 0.01 0.14 -0.65 -0.26 0.00 0.00 0.00 178.15 177.39 1a9b h PHE 67 N 0.77 0.45 0.00 1.37 0.04 -0.85 -0.17 116.94 118.55 1a9b h PHE 67 Ca 0.42 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.96 1a9b h PHE 67 Cb 0.45 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1a9b h PHE 67 CO -0.06 0.89 -0.27 0.87 -0.60 0.00 0.00 178.31 179.14 1a9b h LYS 68 N 0.24 0.00 0.04 1.51 1.57 0.18 0.35 116.57 120.46 1a9b h LYS 68 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1a9b h LYS 68 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1a9b h LYS 68 CO 0.11 0.27 -0.02 1.15 -0.57 0.00 0.00 179.45 180.40 1a9b h THR 69 N 0.00 1.04 -0.80 -0.16 2.02 -0.97 -3.25 112.91 110.79 1a9b h THR 69 Ca -0.00 -1.65 0.13 0.00 0.77 0.00 0.00 66.41 65.66 1a9b h THR 69 Cb 0.50 1.92 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 1a9b h THR 69 CO 0.04 0.33 0.52 0.78 0.37 0.00 0.00 175.52 177.56 1a9b h ASN 70 N -0.96 0.52 -0.26 4.18 4.21 -0.87 0.26 115.58 122.66 1a9b h ASN 70 Ca -0.01 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 1a9b h ASN 70 Cb 0.59 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.69 1a9b h ASN 70 CO 0.01 0.28 0.14 0.00 -1.29 0.00 0.00 177.43 176.56 1a9b h THR 71 N 0.56 1.11 0.16 2.81 1.03 -0.40 -1.00 112.91 117.18 1a9b h THR 71 Ca 0.39 -0.33 -0.25 0.00 -0.01 0.00 0.00 66.41 66.21 1a9b h THR 71 Cb 0.72 0.74 0.02 0.00 -1.07 0.00 0.00 68.15 68.55 1a9b h THR 71 CO -0.15 0.13 -1.16 1.56 -0.01 0.00 0.00 175.52 175.89 1a9b h GLN 72 N 0.42 0.33 -0.77 0.00 7.50 -0.60 -3.06 115.11 118.93 1a9b h GLN 72 Ca 0.11 -0.57 0.11 0.00 0.50 0.00 0.00 58.65 58.80 1a9b h GLN 72 Cb 0.06 0.21 -0.08 0.00 0.05 0.00 0.00 27.48 27.73 1a9b h GLN 72 CO -0.01 1.27 0.40 1.15 -1.50 0.00 0.00 178.83 180.14 1a9b h THR 73 N -0.24 0.82 -0.31 -0.54 2.02 -0.78 -1.19 112.91 112.69 1a9b h THR 73 Ca -0.22 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1a9b h THR 73 Cb 1.80 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1a9b h THR 73 CO 0.15 0.12 -0.08 1.88 0.37 0.00 0.00 175.52 177.96 1a9b h TYR 74 N 0.64 0.54 -0.50 3.16 -1.99 -1.26 -2.62 116.97 114.94 1a9b h TYR 74 Ca 0.39 -0.07 0.10 0.00 2.00 0.00 0.00 58.73 61.15 1a9b h TYR 74 Cb 0.45 -0.15 -0.08 0.00 2.00 0.00 0.00 36.73 38.94 1a9b h TYR 74 CO -0.10 0.58 -0.02 0.00 -0.00 0.00 0.00 178.16 178.62 1a9b h ARG 75 N 0.48 0.09 0.46 4.88 -0.00 -1.10 0.66 114.38 119.84 1a9b h ARG 75 Ca 0.09 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.55 1a9b h ARG 75 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.39 1a9b h ARG 75 CO 0.02 0.06 -0.22 0.93 0.00 0.00 0.00 179.97 180.76 1a9b h GLU 76 N 0.09 -0.59 -0.85 0.04 5.08 -1.41 -2.97 114.58 113.96 1a9b h GLU 76 Ca 0.25 0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.87 1a9b h GLU 76 Cb 0.38 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 1a9b h GLU 76 CO -0.44 -0.35 0.27 0.77 -1.00 0.00 0.00 179.01 178.27 1a9b h SER 77 N -0.70 0.11 -0.32 1.42 0.02 -0.98 0.14 113.55 113.24 1a9b h SER 77 Ca -0.06 0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1a9b h SER 77 Cb 0.52 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1a9b h SER 77 CO 0.10 -0.08 0.16 -0.07 -1.14 0.00 0.00 176.83 175.80 1a9b h LEU 78 N 0.28 0.23 -0.26 5.07 3.38 -0.83 -1.31 115.31 121.87 1a9b h LEU 78 Ca 0.52 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 1a9b h LEU 78 Cb 1.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1a9b h LEU 78 CO -0.58 0.17 0.13 -0.09 0.09 0.00 0.00 178.44 178.16 1a9b h ARG 79 N 0.33 0.38 -0.95 1.13 2.43 -0.66 -2.48 114.38 114.55 1a9b h ARG 79 Ca 0.13 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1a9b h ARG 79 Cb 0.05 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.46 1a9b h ARG 79 CO -0.10 0.36 0.62 -0.91 -1.51 0.00 0.00 179.97 178.43 1a9b h ASN 80 N 0.30 0.93 -0.44 -3.80 4.21 -0.70 -1.55 115.58 114.53 1a9b h ASN 80 Ca 0.09 0.02 -0.13 0.00 1.21 0.00 0.00 56.30 57.49 1a9b h ASN 80 Cb 0.11 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 1a9b h ASN 80 CO -0.01 0.57 -0.24 -0.07 -1.29 0.00 0.00 177.43 176.39 1a9b h LEU 81 N 1.04 0.97 -0.73 1.61 3.38 -0.97 -0.92 115.31 119.69 1a9b h LEU 81 Ca 0.43 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1a9b h LEU 81 Cb 0.29 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1a9b h LEU 81 CO -0.18 1.17 0.46 0.03 0.09 0.00 0.00 178.44 180.00 1a9b h ARG 82 N 0.77 0.86 0.37 1.13 3.08 -0.96 -1.90 114.38 117.73 1a9b h ARG 82 Ca 0.09 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1a9b h ARG 82 Cb 0.81 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1a9b h ARG 82 CO 0.07 0.57 -0.38 0.78 -1.07 0.00 0.00 179.97 179.94 1a9b h GLY 83 N 0.89 -1.12 -0.62 0.04 0.00 -0.91 0.58 103.07 101.92 1a9b h GLY 83 Ca 0.30 0.52 0.14 0.00 0.00 0.00 0.00 47.33 48.29 1a9b h GLY 83 CO -0.11 -0.35 -0.28 -0.97 0.00 0.00 0.00 176.54 174.83 1a9b h TYR 84 N -0.74 -0.71 -0.02 5.60 0.05 -0.85 0.15 116.97 120.45 1a9b h TYR 84 Ca -0.05 0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1a9b h TYR 84 Cb 0.65 0.43 0.00 0.00 1.01 0.00 0.00 36.73 38.82 1a9b h TYR 84 CO -0.21 -0.37 0.00 0.66 -1.05 0.00 0.00 178.16 177.19 1a9b n TYR 85 N -5.49 0.03 -2.06 4.88 4.01 -0.74 -4.92 117.16 112.87 1a9b n TYR 85 Ca 0.09 -0.01 -0.19 0.00 -0.16 0.00 0.00 57.90 57.63 1a9b n TYR 85 Cb 0.39 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 1a9b n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1a9b n ASN 86 N -0.52 -5.37 -4.80 7.72 3.02 0.54 -4.97 115.26 110.89 1a9b n ASN 86 Ca 0.20 0.16 -0.34 0.00 -0.03 0.00 0.00 54.58 54.56 1a9b n ASN 86 Cb 0.18 -4.46 -0.04 0.00 -0.61 0.00 0.00 39.78 34.85 1a9b n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1a9b s GLN 87 N -4.45 3.94 0.53 3.52 -0.21 -0.06 -5.00 119.66 117.93 1a9b s GLN 87 Ca 0.00 1.36 -0.16 0.00 0.02 0.00 0.00 55.36 56.58 1a9b s GLN 87 Cb 0.00 -2.21 -0.07 0.00 1.00 0.00 0.00 33.01 31.73 1a9b s GLN 87 CO 0.00 -0.31 1.00 0.45 -2.12 0.00 0.00 175.29 174.31 1a9b s SER 88 N -1.91 6.49 -0.05 5.90 0.15 -1.26 -4.66 113.70 118.36 1a9b s SER 88 Ca 0.64 1.59 -0.01 0.00 0.70 0.00 0.00 55.95 58.87 1a9b s SER 88 Cb -0.17 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 1a9b s SER 88 CO 0.21 -0.68 2.30 -0.62 1.20 0.00 0.00 173.24 175.64 1a9b n GLU 89 N -1.74 1.30 0.00 5.44 -0.58 -1.26 -3.45 120.64 120.35 1a9b n GLU 89 Ca 0.07 -0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 1a9b n GLU 89 Cb 0.54 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 1a9b n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a9b n ALA 90 N 1.52 0.53 -2.46 0.62 0.00 -1.26 -4.93 120.51 114.53 1a9b n ALA 90 Ca 0.12 -0.08 -0.27 0.00 0.00 0.00 0.00 53.44 53.20 1a9b n ALA 90 Cb 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 1a9b n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a9b s GLY 91 N -0.06 1.70 0.48 0.00 0.00 -1.22 -4.89 107.32 103.33 1a9b s GLY 91 Ca 0.00 -1.56 -0.20 0.00 0.00 0.00 0.00 44.72 42.97 1a9b s GLY 91 CO 0.00 -1.57 1.00 -0.56 0.00 0.00 0.00 173.10 171.97 1a9b s SER 92 N -2.57 6.55 -0.07 1.64 0.01 -1.26 -4.78 113.70 113.21 1a9b s SER 92 Ca 0.20 1.78 -0.13 0.00 1.31 0.00 0.00 55.95 59.12 1a9b s SER 92 Cb -0.09 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.63 1a9b s SER 92 CO 0.10 -0.63 0.32 -1.00 0.41 0.00 0.00 173.24 172.44 1a9b s HIS 93 N -2.18 -0.27 -0.07 2.43 4.02 -1.26 -4.99 115.29 112.97 1a9b s HIS 93 Ca 0.64 0.56 0.03 0.00 1.02 0.00 0.00 55.06 57.31 1a9b s HIS 93 Cb -0.13 0.11 0.01 0.00 -1.02 0.00 0.00 32.58 31.55 1a9b s HIS 93 CO 0.20 -0.29 -0.16 0.42 1.02 0.00 0.00 174.74 175.94 1a9b s ILE 94 N -0.61 1.43 -0.24 0.60 1.01 -1.26 -1.75 121.20 120.37 1a9b s ILE 94 Ca -0.07 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1a9b s ILE 94 Cb -0.04 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1a9b s ILE 94 CO 0.02 0.42 0.03 -0.63 0.00 0.00 0.00 174.94 174.79 1a9b s ILE 95 N 0.52 3.96 -0.07 2.92 1.01 0.36 -0.30 121.20 129.60 1a9b s ILE 95 Ca -0.15 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1a9b s ILE 95 Cb -0.16 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 1a9b s ILE 95 CO 0.05 0.34 -0.21 -1.10 0.00 0.00 0.00 174.94 174.02 1a9b s GLN 96 N 1.56 2.75 0.03 2.79 -0.21 -0.24 -0.61 119.66 125.73 1a9b s GLN 96 Ca 0.06 -0.83 0.04 0.00 0.02 0.00 0.00 55.36 54.64 1a9b s GLN 96 Cb -0.15 -2.29 -0.02 0.00 1.00 0.00 0.00 33.01 31.55 1a9b s GLN 96 CO 0.01 0.36 -0.12 0.50 -2.12 0.00 0.00 175.29 173.93 1a9b s ARG 97 N -0.10 0.81 -0.08 2.91 3.52 -0.16 0.22 118.95 126.07 1a9b s ARG 97 Ca -0.05 -0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 1a9b s ARG 97 Cb -0.14 -0.77 0.05 0.00 -1.56 0.00 0.00 34.95 32.52 1a9b s ARG 97 CO 0.04 0.19 0.14 0.00 -0.81 0.00 0.00 175.30 174.86 1a9b s MET 98 N -0.98 0.02 0.12 5.12 0.23 0.22 -0.19 119.30 123.84 1a9b s MET 98 Ca 0.00 0.48 0.03 0.00 -1.03 0.00 0.00 55.69 55.17 1a9b s MET 98 Cb -0.07 -0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 32.76 1a9b s MET 98 CO 0.01 -0.34 -0.07 1.52 -2.03 0.00 0.00 175.02 174.10 1a9b s TYR 99 N 2.27 1.07 0.00 3.16 1.13 -1.07 -0.79 117.35 123.12 1a9b s TYR 99 Ca 0.04 -0.86 0.00 0.00 -1.41 0.00 0.00 57.07 54.83 1a9b s TYR 99 Cb -0.12 -0.58 0.00 0.00 -1.10 0.00 0.00 41.96 40.15 1a9b s TYR 99 CO -0.06 -0.06 0.00 0.41 -2.51 0.00 0.00 175.55 173.33 1a9b n GLY 100 N -0.12 1.42 3.36 5.49 0.00 -0.58 -1.01 105.19 113.74 1a9b n GLY 100 Ca -0.11 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 1a9b n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9b s ASP 102 N -0.82 6.06 0.04 0.00 1.01 -0.74 -1.78 116.67 120.44 1a9b s ASP 102 Ca 0.11 0.04 -0.25 0.00 0.71 0.00 0.00 52.55 53.16 1a9b s ASP 102 Cb -0.10 -2.12 -0.05 0.00 1.01 0.00 0.00 42.92 41.65 1a9b s ASP 102 CO 0.00 -0.02 0.76 -0.22 0.21 0.00 0.00 175.17 175.90 1a9b s LEU 103 N 1.56 4.45 0.33 1.23 2.96 0.75 0.10 118.68 130.07 1a9b s LEU 103 Ca 0.08 1.44 0.09 0.00 -0.22 0.00 0.00 54.13 55.51 1a9b s LEU 103 Cb -0.15 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.27 1a9b s LEU 103 CO 0.09 0.01 0.05 -0.83 -1.32 0.00 0.00 176.35 174.36 1a9b s GLY 104 N -0.04 1.99 0.61 7.98 0.00 -1.11 -0.85 107.32 115.89 1a9b s GLY 104 Ca 0.38 -1.89 0.28 0.00 0.00 0.00 0.00 44.72 43.49 1a9b s GLY 104 CO 0.23 -1.84 1.80 -0.56 0.00 0.00 0.00 173.10 172.73 1a9b h PRO 105 N 1.73 0.00 0.00 2.90 0.13 -1.97 0.13 132.00 134.91 1a9b h PRO 105 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1a9b h PRO 105 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1a9b h PRO 105 CO 0.65 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 1a9b n ASP 106 N -3.47 0.00 0.00 1.44 5.68 -1.26 -4.86 116.55 114.07 1a9b n ASP 106 Ca 0.08 -0.33 0.00 0.00 -0.50 0.00 0.00 54.79 54.04 1a9b n ASP 106 Cb 0.73 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1a9b n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9b n GLY 107 N 0.01 1.67 2.21 6.12 0.00 0.44 -4.94 105.19 110.70 1a9b n GLY 107 Ca 0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1a9b n GLY 107 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a9b n ARG 108 N 0.00 -0.25 -1.90 1.61 1.85 -1.26 -4.74 116.66 111.98 1a9b n ARG 108 Ca 0.00 -1.37 -0.41 0.00 -1.00 0.00 0.00 57.85 55.06 1a9b n ARG 108 Cb 0.00 -0.57 -0.02 0.00 -1.05 0.00 0.00 32.46 30.82 1a9b n ARG 108 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1a9b s LEU 109 N 0.00 4.37 -0.08 2.89 2.96 -1.26 -2.73 118.68 124.82 1a9b s LEU 109 Ca 0.40 2.81 0.15 0.00 -0.22 0.00 0.00 54.13 57.28 1a9b s LEU 109 Cb -0.02 -3.63 -0.23 0.00 0.50 0.00 0.00 46.19 42.81 1a9b s LEU 109 CO 0.28 -0.80 0.23 -0.11 -1.32 0.00 0.00 176.35 174.62 1a9b n LEU 110 N 2.17 0.00 -3.65 -0.68 7.94 0.11 -4.81 117.00 118.09 1a9b n LEU 110 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1a9b n LEU 110 Cb 0.39 0.17 -0.06 0.00 0.53 0.00 0.00 43.42 44.44 1a9b n LEU 110 CO 0.62 0.17 0.85 -0.60 -1.11 0.00 0.00 177.39 177.32 1a9b s ARG 111 N -2.81 0.20 0.25 1.96 3.52 -1.23 -4.98 118.95 115.86 1a9b s ARG 111 Ca -0.07 0.35 -0.11 0.00 -0.13 0.00 0.00 55.73 55.77 1a9b s ARG 111 Cb 0.08 0.04 -0.08 0.00 -1.56 0.00 0.00 34.95 33.43 1a9b s ARG 111 CO 0.67 -0.04 0.60 0.20 -0.81 0.00 0.00 175.30 175.92 1a9b s GLY 112 N 1.18 2.30 -0.02 8.12 0.00 -1.26 -1.78 107.32 115.85 1a9b s GLY 112 Ca -0.09 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.47 1a9b s GLY 112 CO -0.12 -0.01 -0.01 0.30 0.00 0.00 0.00 173.10 173.25 1a9b s HIS 113 N -1.86 0.34 -0.32 1.90 3.76 -0.14 -4.87 115.29 114.10 1a9b s HIS 113 Ca 0.49 -0.03 0.05 0.00 -0.15 0.00 0.00 55.06 55.42 1a9b s HIS 113 Cb -0.11 -0.35 0.18 0.00 1.11 0.00 0.00 32.58 33.41 1a9b s HIS 113 CO 0.20 -0.09 0.55 0.34 -0.85 0.00 0.00 174.74 174.88 1a9b s ASP 114 N 0.64 -0.99 -0.14 1.40 2.15 -1.26 -1.53 116.67 116.94 1a9b s ASP 114 Ca -0.07 -0.27 0.02 0.00 0.43 0.00 0.00 52.55 52.66 1a9b s ASP 114 Cb -0.10 1.72 0.00 0.00 -0.30 0.00 0.00 42.92 44.25 1a9b s ASP 114 CO -0.01 -0.28 -0.19 -1.10 -0.17 0.00 0.00 175.17 173.42 1a9b s GLN 115 N 2.45 3.14 0.05 4.34 -0.21 0.03 -1.12 119.66 128.34 1a9b s GLN 115 Ca 0.12 -0.80 0.09 0.00 0.02 0.00 0.00 55.36 54.78 1a9b s GLN 115 Cb -0.09 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.39 1a9b s GLN 115 CO -0.21 0.07 -0.24 0.45 -2.12 0.00 0.00 175.29 173.24 1a9b s SER 116 N 0.66 3.38 0.09 5.90 0.15 -0.07 -0.61 113.70 123.20 1a9b s SER 116 Ca -0.10 -0.56 -0.00 0.00 0.70 0.00 0.00 55.95 55.99 1a9b s SER 116 Cb -0.16 -0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 63.73 1a9b s SER 116 CO 0.02 0.25 -0.01 0.00 1.20 0.00 0.00 173.24 174.70 1a9b s ALA 117 N -0.87 0.77 -0.04 5.45 0.00 0.13 -2.01 121.76 125.19 1a9b s ALA 117 Ca 0.13 -1.34 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 1a9b s ALA 117 Cb -0.10 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.50 1a9b s ALA 117 CO 0.04 -0.38 0.02 -0.47 0.00 0.00 0.00 175.76 174.97 1a9b s TYR 118 N -3.88 0.28 -1.45 0.00 5.04 0.90 -1.08 117.35 117.16 1a9b s TYR 118 Ca 0.14 0.06 -0.09 0.00 -2.44 0.00 0.00 57.07 54.74 1a9b s TYR 118 Cb 0.07 -0.51 0.05 0.00 0.35 0.00 0.00 41.96 41.93 1a9b s TYR 118 CO -0.04 -0.19 0.72 -0.25 -1.34 0.00 0.00 175.55 174.45 1a9b n ASP 119 N 4.76 -5.06 0.00 4.32 8.00 0.59 -1.60 116.55 127.57 1a9b n ASP 119 Ca -0.14 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1a9b n ASP 119 Cb 0.50 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 1a9b n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a9b n GLY 120 N -1.50 2.92 3.92 0.44 0.00 -1.26 -5.01 105.19 104.70 1a9b n GLY 120 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1a9b n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9b s LYS 121 N -0.17 3.55 0.34 1.61 1.02 -0.63 -5.06 119.74 120.41 1a9b s LYS 121 Ca 0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 55.97 55.47 1a9b s LYS 121 Cb 0.00 -2.74 -0.11 0.00 -0.52 0.00 0.00 37.83 34.46 1a9b s LYS 121 CO 0.00 0.29 1.46 -0.51 -0.92 0.00 0.00 175.35 175.67 1a9b s ASP 122 N -3.34 6.48 0.02 2.83 1.11 -1.26 -0.07 116.67 122.44 1a9b s ASP 122 Ca 0.40 2.91 -0.03 0.00 0.18 0.00 0.00 52.55 56.02 1a9b s ASP 122 Cb -0.11 -2.65 -0.01 0.00 1.07 0.00 0.00 42.92 41.22 1a9b s ASP 122 CO 0.31 -0.78 -0.05 0.00 1.18 0.00 0.00 175.17 175.82 1a9b n TYR 123 N 0.98 0.00 -3.81 4.23 9.36 -0.85 -4.64 117.16 122.43 1a9b n TYR 123 Ca 0.02 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.12 1a9b n TYR 123 Cb 0.40 -0.08 -0.10 0.00 -0.63 0.00 0.00 39.34 38.93 1a9b n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1a9b s ILE 124 N -1.73 0.06 -0.03 2.97 2.07 -1.11 -0.68 121.20 122.74 1a9b s ILE 124 Ca -0.04 -0.48 -0.02 0.00 -1.41 0.00 0.00 60.65 58.70 1a9b s ILE 124 Cb 0.01 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 42.12 1a9b s ILE 124 CO 0.07 -0.26 0.07 0.00 -1.91 0.00 0.00 174.94 172.91 1a9b s ALA 125 N -1.09 -0.13 -0.13 1.50 0.00 -0.89 -0.89 121.76 120.13 1a9b s ALA 125 Ca -0.12 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 1a9b s ALA 125 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1a9b s ALA 125 CO 0.02 -0.07 1.07 -1.17 0.00 0.00 0.00 175.76 175.61 1a9b s LEU 126 N 0.50 4.21 0.85 0.00 2.96 -0.28 -0.55 118.68 126.38 1a9b s LEU 126 Ca -0.04 1.56 -0.11 0.00 -0.22 0.00 0.00 54.13 55.32 1a9b s LEU 126 Cb -0.05 -3.55 0.11 0.00 0.50 0.00 0.00 46.19 43.19 1a9b s LEU 126 CO -0.02 -0.55 1.15 0.20 -1.32 0.00 0.00 176.35 175.81 1a9b s ASN 127 N 1.26 3.46 0.46 3.68 -0.87 0.16 -4.56 114.94 118.52 1a9b s ASN 127 Ca 0.49 2.15 0.26 0.00 -1.57 0.00 0.00 52.86 54.19 1a9b s ASN 127 Cb -0.19 -2.56 1.31 0.00 -0.02 0.00 0.00 41.25 39.78 1a9b s ASN 127 CO 0.15 -2.74 1.78 -0.08 -2.57 0.00 0.00 177.10 173.64 1a9b h GLU 128 N -1.44 0.21 0.00 -0.60 4.57 -1.89 0.18 114.58 115.61 1a9b h GLU 128 Ca -0.44 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1a9b h GLU 128 Cb 1.27 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1a9b h GLU 128 CO 0.45 0.14 0.00 -0.40 -1.18 0.00 0.00 179.01 178.02 1a9b n ASP 129 N -4.45 0.00 -2.99 1.04 5.68 -1.26 -4.68 116.55 109.89 1a9b n ASP 129 Ca 0.26 -1.11 -0.21 0.00 -0.50 0.00 0.00 54.79 53.23 1a9b n ASP 129 Cb 1.06 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 41.05 1a9b n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1a9b n LEU 130 N -0.81 -1.95 0.00 -2.12 4.77 0.65 -4.73 117.00 112.81 1a9b n LEU 130 Ca 0.12 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1a9b n LEU 130 Cb 0.05 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 38.62 1a9b n LEU 130 CO 0.09 0.10 0.00 -1.54 -1.33 0.00 0.00 177.39 174.71 1a9b n SER 131 N -2.27 0.00 -5.00 -1.43 3.41 -1.26 -4.44 113.62 102.63 1a9b n SER 131 Ca -0.10 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.33 1a9b n SER 131 Cb 0.60 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.56 1a9b n SER 131 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a9b s SER 132 N -0.89 5.64 0.11 4.04 0.01 -1.26 -4.90 113.70 116.45 1a9b s SER 132 Ca 0.00 -0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.00 1a9b s SER 132 Cb 0.00 -0.80 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 1a9b s SER 132 CO 0.00 -0.78 -0.10 0.26 0.41 0.00 0.00 173.24 173.03 1a9b s TRP 133 N -2.41 1.09 -0.23 2.43 0.52 -1.26 -0.67 118.94 118.42 1a9b s TRP 133 Ca 0.54 -0.72 0.00 0.00 0.02 0.00 0.00 56.10 55.95 1a9b s TRP 133 Cb -0.10 -0.59 0.06 0.00 -1.15 0.00 0.00 33.47 31.69 1a9b s TRP 133 CO 0.34 0.00 -0.03 0.99 0.02 0.00 0.00 176.95 178.27 1a9b s THR 134 N -2.83 1.39 0.07 2.01 2.01 0.29 -4.83 115.64 113.75 1a9b s THR 134 Ca 0.09 -1.17 -0.21 0.00 0.31 0.00 0.00 61.69 60.71 1a9b s THR 134 Cb -0.00 -1.71 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 1a9b s THR 134 CO -0.00 -0.15 0.63 0.00 -0.69 0.00 0.00 174.62 174.40 1a9b s ALA 135 N 1.45 3.53 0.00 7.40 0.00 -1.26 -2.09 121.76 130.79 1a9b s ALA 135 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1a9b s ALA 135 Cb -0.19 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1a9b s ALA 135 CO -0.07 0.30 0.05 0.00 0.00 0.00 0.00 175.76 176.04 1a9b n ALA 136 N 2.00 -0.02 -2.31 0.00 0.00 0.14 -4.97 120.51 115.35 1a9b n ALA 136 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1a9b n ALA 136 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1a9b n ALA 136 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1a9b s ASP 137 N -2.81 4.80 0.25 0.00 -4.77 -1.26 -5.00 116.67 107.88 1a9b s ASP 137 Ca 0.00 -0.99 -0.04 0.00 -3.30 0.00 0.00 52.55 48.22 1a9b s ASP 137 Cb 0.00 -0.15 0.50 0.00 -1.09 0.00 0.00 42.92 42.18 1a9b s ASP 137 CO 0.00 -0.84 1.67 0.74 0.70 0.00 0.00 175.17 177.44 1a9b h THR 138 N 0.94 0.44 -0.99 2.11 2.02 -1.98 -0.09 112.91 115.37 1a9b h THR 138 Ca -0.39 -0.08 0.20 0.00 0.77 0.00 0.00 66.41 66.91 1a9b h THR 138 Cb 1.28 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 67.79 1a9b h THR 138 CO 0.58 0.04 0.61 0.00 0.37 0.00 0.00 175.52 177.13 1a9b h ALA 139 N 1.66 1.78 -0.16 6.16 0.00 -1.95 0.59 119.26 127.34 1a9b h ALA 139 Ca 0.44 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 1a9b h ALA 139 Cb 0.79 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1a9b h ALA 139 CO -0.57 -0.14 -0.05 0.00 0.00 0.00 0.00 179.25 178.49 1a9b h ALA 140 N 1.64 1.63 -0.05 0.00 0.00 -1.28 -1.39 119.26 119.80 1a9b h ALA 140 Ca 0.56 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 1a9b h ALA 140 Cb 0.97 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1a9b h ALA 140 CO -0.35 0.28 -0.26 1.96 0.00 0.00 0.00 179.25 180.88 1a9b h GLN 141 N 0.23 0.09 -0.00 0.00 4.20 0.23 0.31 115.11 120.17 1a9b h GLN 141 Ca 0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1a9b h GLN 141 Cb 0.24 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1a9b h GLN 141 CO 0.01 0.35 0.00 0.82 -0.67 0.00 0.00 178.83 179.34 1a9b h ILE 142 N 0.09 1.22 -0.65 2.54 2.04 -1.03 -0.79 117.51 120.93 1a9b h ILE 142 Ca 0.01 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1a9b h ILE 142 Cb 0.50 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1a9b h ILE 142 CO 0.04 0.17 0.36 0.74 0.00 0.00 0.00 178.15 179.46 1a9b h THR 143 N -0.28 1.20 -0.58 -0.27 2.02 -1.27 -2.11 112.91 111.63 1a9b h THR 143 Ca 0.00 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 66.74 1a9b h THR 143 Cb 0.28 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 1a9b h THR 143 CO 0.00 0.22 0.27 -0.61 0.37 0.00 0.00 175.52 175.77 1a9b h GLN 144 N 0.89 0.49 -0.36 6.66 4.15 -0.23 0.12 115.11 126.83 1a9b h GLN 144 Ca 0.23 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.65 1a9b h GLN 144 Cb 0.03 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1a9b h GLN 144 CO -0.04 0.33 0.16 -0.09 -1.93 0.00 0.00 178.83 177.25 1a9b h ARG 145 N 0.51 0.32 0.88 1.69 9.65 -0.66 -1.06 114.38 125.71 1a9b h ARG 145 Ca 0.27 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.09 1a9b h ARG 145 Cb 0.24 -0.07 0.01 0.00 -1.39 0.00 0.00 29.97 28.75 1a9b h ARG 145 CO -0.22 0.21 -0.42 0.87 2.80 0.00 0.00 179.97 183.21 1a9b h LYS 146 N 0.33 -1.14 0.00 0.20 1.57 -0.66 -1.38 116.57 115.49 1a9b h LYS 146 Ca 0.16 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1a9b h LYS 146 Cb 0.10 0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1a9b h LYS 146 CO -0.14 -0.76 0.16 -1.49 -0.57 0.00 0.00 179.45 176.66 1a9b h TRP 147 N -1.22 0.00 0.12 -1.35 4.06 -0.64 0.68 115.95 117.60 1a9b h TRP 147 Ca -0.12 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.52 1a9b h TRP 147 Cb 0.91 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 1a9b h TRP 147 CO -0.01 0.00 -1.61 0.93 -3.56 0.00 0.00 178.44 174.19 1a9b h GLU 148 N 0.00 0.26 0.00 0.49 5.08 -1.03 -0.57 114.58 118.82 1a9b h GLU 148 Ca 0.00 -0.45 -0.05 0.00 -1.00 0.00 0.00 59.36 57.86 1a9b h GLU 148 Cb 0.33 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1a9b h GLU 148 CO 0.00 1.22 -0.24 0.00 -1.00 0.00 0.00 179.01 178.99 1a9b h ALA 149 N -0.02 1.21 -0.01 3.43 0.00 0.19 -1.35 119.26 122.72 1a9b h ALA 149 Ca -0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1a9b h ALA 149 Cb 1.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1a9b h ALA 149 CO 0.07 0.30 -0.21 0.00 0.00 0.00 0.00 179.25 179.41 1a9b n ALA 150 N -2.31 2.99 -3.94 0.00 0.00 0.22 -4.96 120.51 112.49 1a9b n ALA 150 Ca -0.01 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.68 1a9b n ALA 150 Cb 0.36 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 18.74 1a9b n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a9b n ARG 151 N -0.27 -4.64 -0.10 0.00 1.74 -0.51 -4.88 116.66 108.00 1a9b n ARG 151 Ca 0.14 0.53 -0.12 0.00 -0.77 0.00 0.00 57.85 57.62 1a9b n ARG 151 Cb 0.38 -5.22 -0.04 0.00 -1.02 0.00 0.00 32.46 26.56 1a9b n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1a9b h VAL 152 N -1.90 1.30 -0.72 1.55 2.07 -1.37 -3.10 116.25 114.08 1a9b h VAL 152 Ca -0.60 -1.30 0.16 0.00 0.82 0.00 0.00 66.70 65.78 1a9b h VAL 152 Cb 1.37 1.52 -0.11 0.00 -1.52 0.00 0.00 31.29 32.56 1a9b h VAL 152 CO 0.67 0.41 0.12 0.00 0.02 0.00 0.00 177.57 178.79 1a9b h ALA 153 N 0.73 0.87 -0.09 1.67 0.00 -1.90 -0.07 119.26 120.47 1a9b h ALA 153 Ca 0.06 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1a9b h ALA 153 Cb 0.72 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1a9b h ALA 153 CO 0.05 -0.37 0.05 0.93 0.00 0.00 0.00 179.25 179.92 1a9b h GLU 154 N 0.21 0.13 -0.58 0.00 5.08 -1.80 -1.64 114.58 115.98 1a9b h GLU 154 Ca 0.40 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.77 1a9b h GLU 154 Cb 0.69 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1a9b h GLU 154 CO -0.54 0.15 0.36 1.96 -1.00 0.00 0.00 179.01 179.94 1a9b h GLN 155 N 0.08 0.70 -0.44 2.33 4.20 -1.17 -2.34 115.11 118.47 1a9b h GLN 155 Ca 0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1a9b h GLN 155 Cb 0.05 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1a9b h GLN 155 CO -0.01 0.46 0.23 -0.07 -0.67 0.00 0.00 178.83 178.77 1a9b h LEU 156 N 0.72 0.56 -0.26 1.46 3.38 -0.85 -1.53 115.31 118.79 1a9b h LEU 156 Ca 0.23 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1a9b h LEU 156 Cb 0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1a9b h LEU 156 CO -0.09 0.51 -0.08 -0.09 0.09 0.00 0.00 178.44 178.78 1a9b h ARG 157 N 0.57 -0.02 -0.77 1.13 2.43 -1.01 0.31 114.38 117.02 1a9b h ARG 157 Ca 0.15 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.44 1a9b h ARG 157 Cb 0.08 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 1a9b h ARG 157 CO -0.02 -0.01 0.37 0.00 -1.51 0.00 0.00 179.97 178.80 1a9b h ALA 158 N 1.23 1.09 0.35 2.80 0.00 -1.12 -0.91 119.26 122.70 1a9b h ALA 158 Ca 0.13 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1a9b h ALA 158 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a9b h ALA 158 CO -0.28 -0.09 -0.17 -0.92 0.00 0.00 0.00 179.25 177.79 1a9b h TYR 159 N 0.58 -0.44 -0.12 0.00 3.20 -0.19 -2.10 116.97 117.90 1a9b h TYR 159 Ca 0.40 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.27 1a9b h TYR 159 Cb 0.51 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1a9b h TYR 159 CO -0.11 -0.14 0.04 -0.07 -1.64 0.00 0.00 178.16 176.23 1a9b h LEU 160 N -0.73 0.04 -1.45 2.82 -0.00 -0.58 -0.30 115.31 115.11 1a9b h LEU 160 Ca -0.05 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.79 1a9b h LEU 160 Cb 0.50 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1a9b h LEU 160 CO 0.08 0.04 -0.23 -0.33 -0.00 0.00 0.00 178.44 178.00 1a9b h GLU 161 N 0.09 0.06 0.00 1.13 5.08 -1.27 -3.27 114.58 116.40 1a9b h GLU 161 Ca 0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1a9b h GLU 161 Cb 0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1a9b h GLU 161 CO -0.05 0.29 0.00 0.41 -1.00 0.00 0.00 179.01 178.66 1a9b n GLY 162 N -0.80 0.40 0.52 -3.84 0.00 -0.79 -4.61 105.19 96.07 1a9b n GLY 162 Ca -0.02 0.00 0.43 0.00 0.00 0.00 0.00 46.02 46.43 1a9b n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a9b n LEU 163 N 0.00 0.17 0.36 0.99 4.32 -1.10 -0.81 117.00 120.93 1a9b n LEU 163 Ca 0.00 1.31 -0.17 0.00 -0.02 0.00 0.00 56.01 57.14 1a9b n LEU 163 Cb 0.00 -0.65 -0.08 0.00 -1.62 0.00 0.00 43.42 41.07 1a9b n LEU 163 CO 0.00 -1.41 0.53 0.00 -1.22 0.00 0.00 177.39 175.29 1a9b h VAL 165 N -1.08 0.89 -0.45 0.00 2.07 -1.02 -0.41 116.25 116.25 1a9b h VAL 165 Ca -0.09 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.47 1a9b h VAL 165 Cb 0.74 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1a9b h VAL 165 CO 0.16 0.02 0.06 -0.33 0.02 0.00 0.00 177.57 177.50 1a9b h GLU 166 N 0.11 0.18 -0.20 1.57 5.08 -1.30 0.07 114.58 120.08 1a9b h GLU 166 Ca 0.09 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 1a9b h GLU 166 Cb 0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1a9b h GLU 166 CO -0.13 0.12 -0.33 -1.49 -1.00 0.00 0.00 179.01 176.18 1a9b h TRP 167 N 0.18 0.48 0.04 4.33 4.06 -0.87 -2.66 115.95 121.51 1a9b h TRP 167 Ca 0.22 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 61.06 1a9b h TRP 167 Cb 0.30 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1a9b h TRP 167 CO -0.24 0.70 -0.02 1.25 -3.56 0.00 0.00 178.44 176.57 1a9b h LEU 168 N 0.36 -0.04 -0.74 -4.49 5.85 -0.13 -1.57 115.31 114.55 1a9b h LEU 168 Ca 0.04 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.68 1a9b h LEU 168 Cb 0.76 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 1a9b h LEU 168 CO 0.06 0.20 0.29 0.03 -0.34 0.00 0.00 178.44 178.67 1a9b h ARG 169 N -0.29 0.42 -0.15 1.25 3.08 -0.95 -0.46 114.38 117.29 1a9b h ARG 169 Ca -0.01 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1a9b h ARG 169 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1a9b h ARG 169 CO 0.01 0.28 0.03 -0.09 -1.07 0.00 0.00 179.97 179.13 1a9b h ARG 170 N 0.44 0.08 -0.72 0.04 2.43 -1.27 -1.76 114.38 113.61 1a9b h ARG 170 Ca 0.40 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.57 1a9b h ARG 170 Cb 0.59 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1a9b h ARG 170 CO -0.39 0.06 0.48 1.88 -1.51 0.00 0.00 179.97 180.48 1a9b h TYR 171 N 0.09 0.91 -0.84 2.20 0.05 -0.11 -0.01 116.97 119.26 1a9b h TYR 171 Ca 0.07 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 1a9b h TYR 171 Cb 0.06 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.45 1a9b h TYR 171 CO -0.13 0.57 0.50 -0.07 -1.05 0.00 0.00 178.16 177.99 1a9b h LEU 172 N 0.98 1.01 0.07 3.88 3.38 -0.89 -1.07 115.31 122.67 1a9b h LEU 172 Ca 0.27 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1a9b h LEU 172 Cb -0.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.38 1a9b h LEU 172 CO -0.06 0.78 -0.03 -0.08 0.09 0.00 0.00 178.44 179.14 1a9b h GLU 173 N 1.16 -0.09 -0.90 1.13 4.57 -0.80 -1.01 114.58 118.65 1a9b h GLU 173 Ca 0.30 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.61 1a9b h GLU 173 Cb -0.04 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.50 1a9b h GLU 173 CO -0.06 0.36 0.58 -0.91 -1.18 0.00 0.00 179.01 177.80 1a9b h ASN 174 N -0.56 0.73 -0.40 1.04 4.21 -0.78 -1.56 115.58 118.25 1a9b h ASN 174 Ca -0.01 0.04 -0.21 0.00 1.21 0.00 0.00 56.30 57.32 1a9b h ASN 174 Cb 0.48 -0.11 -0.13 0.00 -1.12 0.00 0.00 38.32 37.44 1a9b h ASN 174 CO 0.02 0.39 -0.06 0.61 -1.29 0.00 0.00 177.43 177.10 1a9b n GLY 175 N -1.42 4.95 0.34 2.83 0.00 -0.43 -4.83 105.19 106.64 1a9b n GLY 175 Ca 0.17 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.93 1a9b n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1a9b h LYS 176 N 1.04 -0.02 -0.11 1.61 3.64 -0.11 0.19 116.57 122.81 1a9b h LYS 176 Ca 0.25 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1a9b h LYS 176 Cb 1.71 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1a9b h LYS 176 CO 0.45 -0.02 0.27 0.93 -2.27 0.00 0.00 179.45 178.82 1a9b h GLU 177 N -0.02 0.00 0.00 1.90 4.39 -1.86 -0.61 114.58 118.37 1a9b h GLU 177 Ca 0.38 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.06 1a9b h GLU 177 Cb 0.62 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1a9b h GLU 177 CO -0.89 0.00 -0.55 2.41 -1.16 0.00 0.00 179.01 178.82 1a9b n THR 178 N -3.26 1.30 0.31 1.13 -1.04 0.03 -4.20 114.28 108.55 1a9b n THR 178 Ca 0.00 0.25 0.21 0.00 -2.04 0.00 0.00 64.05 62.47 1a9b n THR 178 Cb 0.36 -1.90 1.10 0.00 -1.82 0.00 0.00 70.33 68.06 1a9b n THR 178 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1a9b h LEU 179 N -0.44 0.00 -2.66 -4.42 3.38 -0.77 -2.65 115.31 107.76 1a9b h LEU 179 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1a9b h LEU 179 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1a9b h LEU 179 CO -0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1a9b n GLN 180 N -2.97 2.31 -3.99 1.13 6.02 -0.24 -4.94 117.38 114.71 1a9b n GLN 180 Ca -0.02 -1.33 -0.31 0.00 -0.01 0.00 0.00 57.00 55.33 1a9b n GLN 180 Cb 0.09 -1.00 -0.15 0.00 1.02 0.00 0.00 30.24 30.19 1a9b n GLN 180 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1a9b s ARG 181 N -0.83 1.89 0.40 -1.09 1.81 -1.00 -4.99 118.95 115.14 1a9b s ARG 181 Ca 0.00 -1.10 -0.25 0.00 -1.72 0.00 0.00 55.73 52.66 1a9b s ARG 181 Cb 0.00 -2.67 -0.08 0.00 -0.45 0.00 0.00 34.95 31.74 1a9b s ARG 181 CO 0.00 -0.57 1.21 0.00 -0.68 0.00 0.00 175.30 175.26 1a9b s ALA 182 N 1.29 3.18 -0.35 2.13 0.00 -1.26 -4.77 121.76 121.99 1a9b s ALA 182 Ca -0.06 1.05 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 1a9b s ALA 182 Cb -0.19 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.55 1a9b s ALA 182 CO -0.06 -0.62 0.13 0.34 0.00 0.00 0.00 175.76 175.55 1a9b s ASP 183 N -1.02 5.42 0.69 0.00 -1.08 -0.38 -4.85 116.67 115.46 1a9b s ASP 183 Ca 0.57 -1.06 -0.15 0.00 -0.52 0.00 0.00 52.55 51.38 1a9b s ASP 183 Cb -0.33 -1.91 0.02 0.00 -1.46 0.00 0.00 42.92 39.23 1a9b s ASP 183 CO 0.42 -0.33 1.17 -2.16 0.52 0.00 0.00 175.17 174.78 1a9b s PRO 184 N 1.45 2.49 0.24 4.34 0.04 -1.26 -1.89 135.00 140.42 1a9b s PRO 184 Ca -0.00 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 1a9b s PRO 184 Cb -0.19 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1a9b s PRO 184 CO 0.04 -1.53 0.92 -1.25 0.04 0.00 0.00 177.00 175.22 1a9b s PRO 185 N -3.92 4.81 -0.41 0.56 0.04 -1.26 -4.45 135.00 130.36 1a9b s PRO 185 Ca 0.72 1.44 -0.22 0.00 0.04 0.00 0.00 61.00 62.97 1a9b s PRO 185 Cb -0.26 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.05 1a9b s PRO 185 CO 0.42 0.51 0.73 0.15 0.04 0.00 0.00 177.00 178.85 1a9b s LYS 186 N -1.23 3.51 0.45 4.56 1.02 -0.29 -4.82 119.74 122.94 1a9b s LYS 186 Ca 0.41 -0.03 0.07 0.00 0.02 0.00 0.00 55.97 56.44 1a9b s LYS 186 Cb -0.25 -3.89 -0.00 0.00 -0.52 0.00 0.00 37.83 33.17 1a9b s LYS 186 CO 0.31 -0.96 0.40 0.95 -0.92 0.00 0.00 175.35 175.13 1a9b s THR 187 N 3.04 2.43 0.00 2.17 -4.23 -1.26 -1.24 115.64 116.55 1a9b s THR 187 Ca 0.28 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1a9b s THR 187 Cb -0.13 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1a9b s THR 187 CO 0.19 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.27 1a9b n HIS 188 N -1.62 0.00 -3.91 3.99 1.44 -1.08 -4.98 115.22 109.07 1a9b n HIS 188 Ca 0.03 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.39 1a9b n HIS 188 Cb 0.62 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.60 1a9b n HIS 188 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1a9b s VAL 189 N -1.88 3.91 0.06 0.61 1.01 -1.26 -0.79 120.40 122.06 1a9b s VAL 189 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1a9b s VAL 189 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1a9b s VAL 189 CO 0.00 0.39 0.28 0.42 0.00 0.00 0.00 175.10 176.19 1a9b s THR 190 N 1.37 5.30 -0.09 3.92 -4.23 -0.32 -4.70 115.64 116.88 1a9b s THR 190 Ca 0.05 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.50 1a9b s THR 190 Cb -0.15 -3.60 0.03 0.00 1.34 0.00 0.00 72.50 70.13 1a9b s THR 190 CO 0.01 0.21 0.01 -2.28 -0.54 0.00 0.00 174.62 172.03 1a9b s HIS 191 N -1.46 0.71 -0.09 3.99 5.04 -1.26 -0.49 115.29 121.74 1a9b s HIS 191 Ca 0.33 -0.28 0.00 0.00 -1.54 0.00 0.00 55.06 53.58 1a9b s HIS 191 Cb -0.13 -0.84 0.02 0.00 0.04 0.00 0.00 32.58 31.68 1a9b s HIS 191 CO 0.22 -0.38 -0.09 -1.01 -2.34 0.00 0.00 174.74 171.14 1a9b s HIS 192 N 1.96 1.41 0.23 3.88 0.09 -0.81 -4.96 115.29 117.10 1a9b s HIS 192 Ca 0.04 -0.63 -0.30 0.00 -0.00 0.00 0.00 55.06 54.17 1a9b s HIS 192 Cb -0.13 -1.14 -0.09 0.00 -0.00 0.00 0.00 32.58 31.22 1a9b s HIS 192 CO -0.06 -0.42 1.09 -1.25 -0.00 0.00 0.00 174.74 174.10 1a9b s PRO 193 N 1.36 4.64 -0.04 8.40 0.04 -1.26 0.05 135.00 148.20 1a9b s PRO 193 Ca -0.02 1.74 0.18 0.00 0.04 0.00 0.00 61.00 62.95 1a9b s PRO 193 Cb -0.14 -3.23 -0.21 0.00 0.04 0.00 0.00 34.50 30.96 1a9b s PRO 193 CO -0.04 0.18 0.53 1.33 0.04 0.00 0.00 177.00 179.04 1a9b n VAL 194 N 1.71 1.00 -3.11 -0.36 0.24 0.88 -4.88 118.33 113.80 1a9b n VAL 194 Ca 0.00 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1a9b n VAL 194 Cb 0.45 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 1a9b n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1a9b n SER 195 N -2.72 0.00 -0.64 -1.34 3.41 -0.86 -4.97 113.62 106.51 1a9b n SER 195 Ca -0.15 -0.75 0.05 0.00 -0.26 0.00 0.00 58.87 57.76 1a9b n SER 195 Cb 0.88 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.97 1a9b n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1a9b n ASP 196 N -1.29 1.84 0.00 4.04 8.00 -1.26 -3.82 116.55 124.06 1a9b n ASP 196 Ca 0.00 -2.03 0.00 0.00 0.71 0.00 0.00 54.79 53.47 1a9b n ASP 196 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1a9b n ASP 196 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1a9b n HIS 197 N 0.44 0.00 -4.01 1.24 8.25 -1.26 -4.89 115.22 114.98 1a9b n HIS 197 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.45 1a9b n HIS 197 Cb 0.31 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.29 1a9b n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1a9b s GLU 198 N -0.12 0.33 0.01 -0.41 8.01 -1.25 -0.08 118.70 125.19 1a9b s GLU 198 Ca 0.00 -0.48 -0.06 0.00 0.01 0.00 0.00 54.97 54.44 1a9b s GLU 198 Cb 0.00 -0.10 -0.00 0.00 -4.31 0.00 0.00 34.13 29.72 1a9b s GLU 198 CO 0.00 0.01 0.11 0.00 0.01 0.00 0.00 175.26 175.39 1a9b s ALA 199 N -0.98 -0.25 -0.23 5.21 0.00 -0.29 -0.08 121.76 125.13 1a9b s ALA 199 Ca -0.09 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.50 1a9b s ALA 199 Cb -0.07 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1a9b s ALA 199 CO -0.00 -0.21 0.35 0.99 0.00 0.00 0.00 175.76 176.89 1a9b s THR 200 N -1.46 5.22 -0.39 0.00 2.01 0.11 -0.62 115.64 120.51 1a9b s THR 200 Ca -0.15 0.57 -0.13 0.00 0.31 0.00 0.00 61.69 62.30 1a9b s THR 200 Cb -0.08 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1a9b s THR 200 CO 0.01 0.23 0.24 -0.76 -0.69 0.00 0.00 174.62 173.66 1a9b s LEU 201 N 1.55 4.86 -0.33 4.42 1.43 0.42 -1.92 118.68 129.11 1a9b s LEU 201 Ca 0.16 -0.93 -0.06 0.00 -1.03 0.00 0.00 54.13 52.27 1a9b s LEU 201 Cb -0.15 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.03 1a9b s LEU 201 CO 0.08 -0.40 0.09 -0.60 0.23 0.00 0.00 176.35 175.75 1a9b s ARG 202 N 1.61 2.65 -0.24 1.70 3.52 0.36 -1.58 118.95 126.96 1a9b s ARG 202 Ca 0.03 -1.16 -0.26 0.00 -0.13 0.00 0.00 55.73 54.21 1a9b s ARG 202 Cb -0.19 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1a9b s ARG 202 CO 0.08 -0.64 0.92 0.00 -0.81 0.00 0.00 175.30 174.85 1a9b s TRP 204 N 3.02 3.25 -0.13 0.00 0.52 0.03 -1.39 118.94 124.23 1a9b s TRP 204 Ca 0.39 0.13 -0.04 0.00 0.02 0.00 0.00 56.10 56.60 1a9b s TRP 204 Cb -0.15 -1.67 0.06 0.00 -1.15 0.00 0.00 33.47 30.57 1a9b s TRP 204 CO 0.07 0.54 0.18 0.00 0.02 0.00 0.00 176.95 177.76 1a9b s ALA 205 N -1.34 -0.15 0.17 0.98 0.00 -0.82 -2.63 121.76 117.97 1a9b s ALA 205 Ca 0.28 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1a9b s ALA 205 Cb -0.12 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1a9b s ALA 205 CO 0.20 -0.83 -0.09 -0.51 0.00 0.00 0.00 175.76 174.53 1a9b s LEU 206 N 2.29 2.48 -1.49 0.00 1.02 -0.38 -1.70 118.68 120.91 1a9b s LEU 206 Ca 0.04 -1.05 -0.03 0.00 0.02 0.00 0.00 54.13 53.11 1a9b s LEU 206 Cb -0.14 -0.38 0.01 0.00 0.02 0.00 0.00 46.19 45.70 1a9b s LEU 206 CO -0.08 -0.34 0.27 0.61 0.02 0.00 0.00 176.35 176.82 1a9b n GLY 207 N -0.26 -0.51 4.00 -3.19 0.00 -0.94 -1.14 105.19 103.15 1a9b n GLY 207 Ca -0.09 0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1a9b n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a9b s PHE 208 N -2.98 2.97 -0.27 1.61 -0.71 -1.08 -4.72 117.98 112.80 1a9b s PHE 208 Ca 0.15 -0.28 -0.19 0.00 -1.04 0.00 0.00 56.93 55.58 1a9b s PHE 208 Cb -0.07 -2.21 0.07 0.00 -1.21 0.00 0.00 43.02 39.60 1a9b s PHE 208 CO 0.19 -0.24 0.68 -0.47 -1.34 0.00 0.00 175.22 174.04 1a9b s TYR 209 N -2.29 -0.94 0.43 3.49 6.14 -0.79 -0.75 117.35 122.63 1a9b s TYR 209 Ca 0.50 2.01 -0.07 0.00 0.64 0.00 0.00 57.07 60.15 1a9b s TYR 209 Cb -0.10 0.49 0.11 0.00 0.42 0.00 0.00 41.96 42.88 1a9b s TYR 209 CO 0.32 -0.47 0.41 -0.35 0.64 0.00 0.00 175.55 176.11 1a9b n PRO 210 N 3.75 -1.59 0.22 4.97 -0.04 -1.26 -1.25 135.00 139.80 1a9b n PRO 210 Ca -0.18 -0.64 0.10 0.00 -0.04 0.00 0.00 63.50 62.73 1a9b n PRO 210 Cb 0.57 -0.57 0.40 0.00 -0.04 0.00 0.00 33.50 33.86 1a9b n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9b h ALA 211 N -2.22 0.98 -1.83 0.55 0.00 -1.95 -3.44 119.26 111.35 1a9b h ALA 211 Ca -0.15 -0.21 -0.55 0.00 0.00 0.00 0.00 54.91 54.00 1a9b h ALA 211 Cb 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1a9b h ALA 211 CO 0.10 0.29 1.48 -2.00 0.00 0.00 0.00 179.25 179.12 1a9b s GLU 212 N -3.54 2.87 0.02 0.00 2.56 -1.26 -4.92 118.70 114.42 1a9b s GLU 212 Ca 0.01 1.67 -0.13 0.00 0.00 0.00 0.00 54.97 56.52 1a9b s GLU 212 Cb 0.09 -4.40 0.02 0.00 2.00 0.00 0.00 34.13 31.84 1a9b s GLU 212 CO 0.65 -2.41 0.28 -1.50 -0.56 0.00 0.00 175.26 171.71 1a9b s ILE 213 N 9.12 0.08 -0.03 -3.70 2.07 -1.26 -4.56 121.20 122.91 1a9b s ILE 213 Ca 0.94 -0.66 -0.00 0.00 -1.41 0.00 0.00 60.65 59.51 1a9b s ILE 213 Cb -0.26 -0.81 0.03 0.00 0.13 0.00 0.00 42.46 41.55 1a9b s ILE 213 CO 0.32 -0.37 0.02 -0.89 -1.91 0.00 0.00 174.94 172.11 1a9b s THR 214 N -2.14 0.03 -0.06 4.00 2.01 -0.48 -5.01 115.64 114.00 1a9b s THR 214 Ca -0.08 0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 1a9b s THR 214 Cb -0.02 -0.17 0.04 0.00 0.01 0.00 0.00 72.50 72.35 1a9b s THR 214 CO -0.01 0.13 0.12 -1.48 -0.69 0.00 0.00 174.62 172.68 1a9b s LEU 215 N 1.25 0.66 0.05 4.42 2.34 -1.25 -0.20 118.68 125.95 1a9b s LEU 215 Ca -0.07 0.23 0.01 0.00 0.06 0.00 0.00 54.13 54.36 1a9b s LEU 215 Cb -0.13 0.22 -0.03 0.00 -0.56 0.00 0.00 46.19 45.69 1a9b s LEU 215 CO -0.03 -0.16 -0.05 0.42 -1.06 0.00 0.00 176.35 175.47 1a9b s THR 216 N 1.36 0.40 -0.01 5.48 -4.23 -0.97 -4.86 115.64 112.81 1a9b s THR 216 Ca -0.07 -1.35 -0.11 0.00 -1.18 0.00 0.00 61.69 58.98 1a9b s THR 216 Cb -0.12 -0.91 -0.05 0.00 1.34 0.00 0.00 72.50 72.76 1a9b s THR 216 CO -0.05 -0.63 0.33 0.26 -0.54 0.00 0.00 174.62 173.99 1a9b s TRP 217 N -2.34 3.66 0.11 3.99 0.52 -1.26 -0.37 118.94 123.25 1a9b s TRP 217 Ca -0.04 0.82 0.00 0.00 0.02 0.00 0.00 56.10 56.90 1a9b s TRP 217 Cb -0.03 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 1a9b s TRP 217 CO -0.03 0.64 -0.00 -0.65 0.02 0.00 0.00 176.95 176.93 1a9b s GLN 218 N -1.26 0.85 -0.08 4.98 -0.21 0.14 -1.04 119.66 123.04 1a9b s GLN 218 Ca 0.24 -1.37 -0.02 0.00 0.02 0.00 0.00 55.36 54.22 1a9b s GLN 218 Cb -0.15 0.04 0.03 0.00 1.00 0.00 0.00 33.01 33.93 1a9b s GLN 218 CO 0.12 -0.14 0.04 0.50 -2.12 0.00 0.00 175.29 173.69 1a9b s ARG 219 N -3.94 0.26 -0.63 2.91 3.52 0.11 -0.61 118.95 120.56 1a9b s ARG 219 Ca 0.17 0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1a9b s ARG 219 Cb 0.07 -0.94 0.00 0.00 -1.56 0.00 0.00 34.95 32.52 1a9b s ARG 219 CO -0.03 -0.37 0.00 -0.25 -0.81 0.00 0.00 175.30 173.84 1a9b n ASP 220 N 5.22 -5.48 0.00 -2.12 8.00 -0.63 -0.86 116.55 120.68 1a9b n ASP 220 Ca -0.05 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1a9b n ASP 220 Cb 0.50 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.09 1a9b n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a9b n GLY 221 N 0.09 2.66 3.73 0.44 0.00 -1.26 -5.06 105.19 105.78 1a9b n GLY 221 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1a9b n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a9b s GLU 222 N -0.40 4.54 0.55 1.61 0.41 -0.04 -5.01 118.70 120.36 1a9b s GLU 222 Ca 0.00 1.20 -0.20 0.00 -0.41 0.00 0.00 54.97 55.56 1a9b s GLU 222 Cb 0.00 -3.41 -0.05 0.00 -1.78 0.00 0.00 34.13 28.89 1a9b s GLU 222 CO 0.00 0.14 1.20 -0.51 -0.49 0.00 0.00 175.26 175.60 1a9b s ASP 223 N 0.38 5.51 -0.22 -0.19 1.01 -1.26 0.04 116.67 121.95 1a9b s ASP 223 Ca 0.43 2.37 0.14 0.00 0.71 0.00 0.00 52.55 56.21 1a9b s ASP 223 Cb -0.21 -2.60 0.49 0.00 1.01 0.00 0.00 42.92 41.61 1a9b s ASP 223 CO 0.25 -1.37 1.40 0.00 0.21 0.00 0.00 175.17 175.66 1a9b n GLN 224 N -1.23 2.28 -0.29 8.23 1.13 -0.20 -4.82 117.38 122.47 1a9b n GLN 224 Ca 0.12 -2.95 0.29 0.00 -1.94 0.00 0.00 57.00 52.52 1a9b n GLN 224 Cb 0.49 -1.79 0.53 0.00 0.11 0.00 0.00 30.24 29.58 1a9b n GLN 224 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1a9b n THR 225 N -0.88 -0.37 0.07 5.09 -2.24 -1.26 0.44 114.28 115.14 1a9b n THR 225 Ca 0.25 1.79 -0.06 0.00 -2.27 0.00 0.00 64.05 63.77 1a9b n THR 225 Cb 0.91 -2.91 -0.10 0.00 -2.10 0.00 0.00 70.33 66.13 1a9b n THR 225 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1a9b h GLN 226 N 0.00 0.00 0.00 -0.78 -0.00 -1.96 -3.30 115.11 109.06 1a9b h GLN 226 Ca 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.41 1a9b h GLN 226 Cb 2.02 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.50 1a9b h GLN 226 CO -0.67 0.92 -0.62 -0.25 0.00 0.00 0.00 178.83 178.21 1a9b n ASP 227 N -3.33 0.58 -4.71 -0.69 8.00 0.17 -4.91 116.55 111.67 1a9b n ASP 227 Ca 0.00 -0.11 -0.42 0.00 0.71 0.00 0.00 54.79 54.98 1a9b n ASP 227 Cb 0.91 0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 42.27 1a9b n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a9b s THR 228 N -3.09 4.61 -0.28 -3.53 2.01 -0.13 -4.67 115.64 110.57 1a9b s THR 228 Ca 0.08 1.88 -0.12 0.00 0.31 0.00 0.00 61.69 63.84 1a9b s THR 228 Cb 0.16 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1a9b s THR 228 CO 0.72 0.14 0.22 -0.70 -0.69 0.00 0.00 174.62 174.31 1a9b s GLU 229 N 1.09 3.96 0.12 4.92 2.12 0.48 -4.95 118.70 126.45 1a9b s GLU 229 Ca 0.54 -0.26 0.09 0.00 0.36 0.00 0.00 54.97 55.69 1a9b s GLU 229 Cb -0.23 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1a9b s GLU 229 CO 0.28 -0.19 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.14 1a9b s LEU 230 N 1.80 2.79 0.05 2.70 1.02 -1.26 -0.68 118.68 125.10 1a9b s LEU 230 Ca 0.08 -0.54 0.04 0.00 0.02 0.00 0.00 54.13 53.74 1a9b s LEU 230 Cb -0.16 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 1a9b s LEU 230 CO 0.11 0.17 -0.03 0.68 0.02 0.00 0.00 176.35 177.29 1a9b s VAL 231 N -1.23 3.85 0.23 -1.59 -7.23 -1.13 -5.05 120.40 108.25 1a9b s VAL 231 Ca 0.19 -0.89 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 1a9b s VAL 231 Cb -0.10 -2.77 -0.09 0.00 0.56 0.00 0.00 36.38 33.98 1a9b s VAL 231 CO 0.11 0.25 1.25 -1.83 -0.31 0.00 0.00 175.10 174.57 1a9b s GLU 232 N -1.90 4.44 -0.60 4.82 -1.05 -1.26 -4.54 118.70 118.61 1a9b s GLU 232 Ca 0.21 2.00 -0.31 0.00 -0.15 0.00 0.00 54.97 56.73 1a9b s GLU 232 Cb -0.11 -3.19 -0.14 0.00 -0.44 0.00 0.00 34.13 30.26 1a9b s GLU 232 CO 0.13 -0.14 2.42 2.41 0.95 0.00 0.00 175.26 181.03 1a9b n THR 233 N 2.13 0.03 -3.86 1.83 -1.04 -1.26 -4.88 114.28 107.23 1a9b n THR 233 Ca 0.04 -0.35 -0.33 0.00 -2.04 0.00 0.00 64.05 61.37 1a9b n THR 233 Cb 0.43 -1.63 -0.05 0.00 -1.82 0.00 0.00 70.33 67.27 1a9b n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a9b s ARG 234 N 7.76 3.48 0.14 -2.82 3.03 -0.75 -4.90 118.95 124.90 1a9b s ARG 234 Ca 1.14 -0.28 -0.30 0.00 2.03 0.00 0.00 55.73 58.32 1a9b s ARG 234 Cb -0.78 -3.06 -0.08 0.00 -1.03 0.00 0.00 34.95 30.00 1a9b s ARG 234 CO 0.42 0.64 1.28 -1.25 -1.13 0.00 0.00 175.30 175.25 1a9b s PRO 235 N -2.09 4.41 0.49 3.89 0.04 -1.26 -0.42 135.00 140.05 1a9b s PRO 235 Ca 0.30 1.95 0.28 0.00 0.04 0.00 0.00 61.00 63.57 1a9b s PRO 235 Cb -0.13 -3.25 1.15 0.00 0.04 0.00 0.00 34.50 32.31 1a9b s PRO 235 CO 0.21 -0.26 1.91 0.00 0.04 0.00 0.00 177.00 178.90 1a9b h ALA 236 N 6.02 1.04 0.00 8.56 0.00 -1.25 -3.46 119.26 130.18 1a9b h ALA 236 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1a9b h ALA 236 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1a9b h ALA 236 CO 0.80 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1a9b n GLY 237 N 0.00 0.65 0.42 0.00 0.00 -1.26 -4.95 105.19 100.06 1a9b n GLY 237 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1a9b n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a9b n ASP 238 N 0.00 1.19 0.00 1.61 5.68 -1.26 -4.97 116.55 118.80 1a9b n ASP 238 Ca 0.00 -2.60 0.00 0.00 -0.50 0.00 0.00 54.79 51.69 1a9b n ASP 238 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1a9b n ASP 238 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1a9b n ARG 239 N -0.64 0.00 -3.74 0.11 1.74 -1.26 -5.06 116.66 107.82 1a9b n ARG 239 Ca 0.09 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.96 1a9b n ARG 239 Cb 0.71 -0.51 -0.02 0.00 -1.02 0.00 0.00 32.46 31.62 1a9b n ARG 239 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a9b s THR 240 N -2.35 4.40 0.31 0.55 -4.23 -1.26 -4.88 115.64 108.18 1a9b s THR 240 Ca 0.00 -1.09 0.11 0.00 -1.18 0.00 0.00 61.69 59.53 1a9b s THR 240 Cb 0.00 -3.51 -0.06 0.00 1.34 0.00 0.00 72.50 70.27 1a9b s THR 240 CO 0.00 -0.23 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.36 1a9b s PHE 241 N -2.13 2.38 0.27 3.99 0.08 0.07 -0.76 117.98 121.87 1a9b s PHE 241 Ca 0.40 -0.41 0.09 0.00 0.12 0.00 0.00 56.93 57.13 1a9b s PHE 241 Cb -0.09 -1.22 -0.05 0.00 -0.57 0.00 0.00 43.02 41.09 1a9b s PHE 241 CO 0.29 0.63 -0.13 -0.65 -0.10 0.00 0.00 175.22 175.27 1a9b s GLN 242 N -3.58 1.55 -0.24 0.44 -0.21 0.44 -2.22 119.66 115.84 1a9b s GLN 242 Ca 0.32 -1.74 -0.31 0.00 0.02 0.00 0.00 55.36 53.65 1a9b s GLN 242 Cb -0.01 -1.39 0.16 0.00 1.00 0.00 0.00 33.01 32.77 1a9b s GLN 242 CO 0.16 0.18 1.24 0.21 -2.12 0.00 0.00 175.29 174.96 1a9b s LYS 243 N -3.63 0.24 0.03 2.91 2.20 -0.69 -1.80 119.74 119.00 1a9b s LYS 243 Ca 0.28 0.02 -0.17 0.00 -0.36 0.00 0.00 55.97 55.73 1a9b s LYS 243 Cb -0.00 0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1a9b s LYS 243 CO 0.12 -0.08 0.39 1.67 -0.36 0.00 0.00 175.35 177.08 1a9b s TRP 244 N -1.37 -0.24 -0.11 4.03 1.48 -1.26 -1.94 118.94 119.54 1a9b s TRP 244 Ca 0.07 0.24 0.02 0.00 -1.06 0.00 0.00 56.10 55.36 1a9b s TRP 244 Cb -0.01 0.18 0.02 0.00 -1.16 0.00 0.00 33.47 32.50 1a9b s TRP 244 CO -0.05 -0.53 -0.14 0.00 -4.06 0.00 0.00 176.95 172.17 1a9b s ALA 245 N -2.21 1.65 0.17 2.67 0.00 -0.49 -2.83 121.76 120.73 1a9b s ALA 245 Ca -0.07 -0.71 0.10 0.00 0.00 0.00 0.00 51.96 51.29 1a9b s ALA 245 Cb -0.02 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1a9b s ALA 245 CO -0.01 -0.10 -0.19 0.00 0.00 0.00 0.00 175.76 175.47 1a9b s ALA 246 N 1.03 2.68 -0.09 0.00 0.00 0.14 -0.05 121.76 125.47 1a9b s ALA 246 Ca -0.06 -1.53 -0.20 0.00 0.00 0.00 0.00 51.96 50.17 1a9b s ALA 246 Cb -0.15 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.51 1a9b s ALA 246 CO -0.02 0.48 0.49 0.54 0.00 0.00 0.00 175.76 177.25 1a9b s VAL 247 N -1.56 0.02 -0.19 0.00 0.11 -0.62 -0.39 120.40 117.78 1a9b s VAL 247 Ca 0.21 -0.16 -0.12 0.00 -2.93 0.00 0.00 61.98 58.98 1a9b s VAL 247 Cb -0.09 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1a9b s VAL 247 CO 0.11 -0.09 0.23 -0.69 -3.33 0.00 0.00 175.10 171.33 1a9b s VAL 248 N -0.67 5.34 0.17 2.04 1.01 -1.26 -0.44 120.40 126.59 1a9b s VAL 248 Ca -0.08 0.39 0.11 0.00 0.00 0.00 0.00 61.98 62.40 1a9b s VAL 248 Cb -0.03 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1a9b s VAL 248 CO 0.04 0.39 -0.24 0.68 0.00 0.00 0.00 175.10 175.97 1a9b s VAL 249 N 0.59 2.24 -0.13 2.92 -7.23 0.21 -4.94 120.40 114.06 1a9b s VAL 249 Ca 0.13 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 58.09 1a9b s VAL 249 Cb -0.12 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 1a9b s VAL 249 CO 0.02 -0.07 1.25 -2.84 -0.31 0.00 0.00 175.10 173.15 1a9b s PRO 250 N -2.46 4.27 -0.67 4.82 0.02 -1.26 -1.14 135.00 138.58 1a9b s PRO 250 Ca 0.17 1.67 -0.31 0.00 0.02 0.00 0.00 61.00 62.56 1a9b s PRO 250 Cb -0.08 -3.70 -0.15 0.00 0.02 0.00 0.00 34.50 30.59 1a9b s PRO 250 CO 0.08 -0.62 2.48 0.43 -0.33 0.00 0.00 177.00 179.04 1a9b n SER 251 N 6.13 1.36 0.00 2.53 7.64 0.88 -0.76 113.62 131.41 1a9b n SER 251 Ca 0.13 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1a9b n SER 251 Cb 0.45 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1a9b n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a9b n GLY 252 N 6.39 3.51 0.31 0.23 0.00 -1.26 -4.96 105.19 109.42 1a9b n GLY 252 Ca 0.51 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1a9b n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a9b n GLU 253 N 0.00 1.22 -0.20 1.61 1.02 0.06 -4.65 120.64 119.71 1a9b n GLU 253 Ca 0.00 -0.63 -0.05 0.00 -0.02 0.00 0.00 57.16 56.46 1a9b n GLU 253 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 1a9b n GLU 253 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1a9b n GLU 254 N -0.34 -0.21 0.00 3.49 4.71 -1.26 -0.85 120.64 126.19 1a9b n GLU 254 Ca 0.17 0.81 0.00 0.00 -0.01 0.00 0.00 57.16 58.13 1a9b n GLU 254 Cb 0.32 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 29.55 1a9b n GLU 254 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1a9b n GLN 255 N -4.35 0.00 0.09 3.49 1.13 -1.26 -0.81 117.38 115.67 1a9b n GLN 255 Ca 0.01 0.44 0.12 0.00 -1.94 0.00 0.00 57.00 55.63 1a9b n GLN 255 Cb 0.12 -1.50 0.28 0.00 0.11 0.00 0.00 30.24 29.25 1a9b n GLN 255 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a9b h ARG 256 N 0.00 0.00 -5.65 -1.09 3.08 -1.36 -3.45 114.38 105.92 1a9b h ARG 256 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1a9b h ARG 256 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.97 1a9b h ARG 256 CO 0.00 0.00 -0.23 0.71 -1.07 0.00 0.00 179.97 179.38 1a9b s TYR 257 N -3.14 3.51 0.04 3.04 1.51 0.01 -1.60 117.35 120.72 1a9b s TYR 257 Ca 0.08 0.76 0.05 0.00 -1.01 0.00 0.00 57.07 56.95 1a9b s TYR 257 Cb 0.12 -2.43 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1a9b s TYR 257 CO 0.66 0.24 -0.14 0.95 -1.11 0.00 0.00 175.55 176.16 1a9b s THR 258 N 0.40 1.10 -0.13 -0.71 -4.23 0.22 -4.65 115.64 107.65 1a9b s THR 258 Ca 0.21 -1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 1a9b s THR 258 Cb -0.14 -1.01 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 1a9b s THR 258 CO 0.08 -0.04 0.02 0.00 -0.54 0.00 0.00 174.62 174.14 1a9b s HIS 260 N -0.35 3.18 -0.14 0.00 3.76 0.50 -0.12 115.29 122.11 1a9b s HIS 260 Ca 0.08 -1.96 -0.15 0.00 -0.15 0.00 0.00 55.06 52.88 1a9b s HIS 260 Cb -0.12 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 1a9b s HIS 260 CO 0.02 -0.82 0.35 0.08 -0.85 0.00 0.00 174.74 173.53 1a9b s VAL 261 N 1.21 5.26 -0.09 -0.90 1.01 0.16 -2.29 120.40 124.77 1a9b s VAL 261 Ca -0.05 0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1a9b s VAL 261 Cb -0.19 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1a9b s VAL 261 CO -0.04 0.37 -0.11 -1.10 0.00 0.00 0.00 175.10 174.21 1a9b s GLN 262 N 0.49 1.75 -0.28 2.72 -0.21 0.72 -1.61 119.66 123.23 1a9b s GLN 262 Ca 0.20 -0.39 -0.20 0.00 0.02 0.00 0.00 55.36 54.98 1a9b s GLN 262 Cb -0.14 -1.56 0.12 0.00 1.00 0.00 0.00 33.01 32.43 1a9b s GLN 262 CO 0.06 -0.09 0.92 -1.58 -2.12 0.00 0.00 175.29 172.48 1a9b s HIS 263 N 1.06 -0.65 0.16 0.91 2.46 -1.26 -1.38 115.29 116.60 1a9b s HIS 263 Ca -0.07 1.41 0.23 0.00 0.47 0.00 0.00 55.06 57.11 1a9b s HIS 263 Cb -0.15 0.40 1.27 0.00 -0.13 0.00 0.00 32.58 33.97 1a9b s HIS 263 CO -0.01 -0.32 1.68 1.05 -2.47 0.00 0.00 174.74 174.67 1a9b h GLU 264 N 5.47 0.00 -0.10 2.88 4.11 -1.94 0.12 114.58 125.12 1a9b h GLU 264 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1a9b h GLU 264 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1a9b h GLU 264 CO 0.14 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.63 1a9b n GLY 265 N -1.25 -0.33 3.18 1.06 0.00 -1.26 -4.69 105.19 101.90 1a9b n GLY 265 Ca -0.02 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1a9b n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9b s LEU 266 N -1.44 2.80 0.37 0.99 1.43 0.41 -3.99 118.68 119.24 1a9b s LEU 266 Ca 0.26 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1a9b s LEU 266 Cb 0.13 -1.60 0.79 0.00 0.03 0.00 0.00 46.19 45.53 1a9b s LEU 266 CO 0.20 -0.07 1.95 1.55 0.23 0.00 0.00 176.35 180.21 1a9b h PRO 267 N 7.98 0.69 -4.51 1.29 0.13 -1.85 -3.41 132.00 132.32 1a9b h PRO 267 Ca -0.37 -0.04 -0.36 0.00 -0.87 0.00 0.00 66.00 64.35 1a9b h PRO 267 Cb 1.12 -0.15 -0.29 0.00 0.13 0.00 0.00 31.00 31.81 1a9b h PRO 267 CO 0.59 0.45 -0.77 0.21 -0.23 0.00 0.00 178.00 178.26 1a9b s LYS 268 N -5.64 0.59 -0.03 0.86 2.20 -1.26 -5.11 119.74 111.35 1a9b s LYS 268 Ca -0.10 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 1a9b s LYS 268 Cb 0.20 -0.58 -0.07 0.00 -1.51 0.00 0.00 37.83 35.87 1a9b s LYS 268 CO 0.77 0.15 1.92 -1.25 -0.36 0.00 0.00 175.35 176.57 1a9b s PRO 269 N -0.13 4.00 0.55 4.03 0.04 -1.26 -4.96 135.00 137.27 1a9b s PRO 269 Ca 0.02 2.39 -0.20 0.00 0.04 0.00 0.00 61.00 63.25 1a9b s PRO 269 Cb -0.03 -4.15 -0.05 0.00 0.04 0.00 0.00 34.50 30.31 1a9b s PRO 269 CO -0.00 -1.10 1.24 -0.51 0.04 0.00 0.00 177.00 176.66 1a9b s LEU 270 N 4.92 3.79 -0.29 -3.56 1.43 -0.64 -4.82 118.68 119.51 1a9b s LEU 270 Ca 0.86 2.47 -0.01 0.00 -1.03 0.00 0.00 54.13 56.41 1a9b s LEU 270 Cb -0.38 -4.44 0.09 0.00 0.03 0.00 0.00 46.19 41.49 1a9b s LEU 270 CO 0.38 -1.44 0.08 -0.89 0.23 0.00 0.00 176.35 174.71 1a9b s THR 271 N -1.51 0.87 0.50 5.49 2.01 -1.26 -0.66 115.64 121.08 1a9b s THR 271 Ca 0.73 -1.26 0.08 0.00 0.31 0.00 0.00 61.69 61.55 1a9b s THR 271 Cb -0.33 -1.58 0.05 0.00 0.01 0.00 0.00 72.50 70.65 1a9b s THR 271 CO 0.37 -0.57 0.68 -0.76 -0.69 0.00 0.00 174.62 173.65 1a9b s LEU 272 N 1.64 3.40 0.12 4.42 1.02 0.82 -4.90 118.68 125.20 1a9b s LEU 272 Ca 0.07 -0.58 -0.24 0.00 0.02 0.00 0.00 54.13 53.40 1a9b s LEU 272 Cb -0.17 -2.23 0.07 0.00 0.02 0.00 0.00 46.19 43.88 1a9b s LEU 272 CO -0.21 -1.04 0.63 -0.60 0.02 0.00 0.00 176.35 175.15 1a9b s ARG 273 N -4.52 1.21 0.36 1.70 3.52 -1.26 -1.26 118.95 118.71 1a9b s ARG 273 Ca 0.58 -0.37 -0.24 0.00 -0.13 0.00 0.00 55.73 55.57 1a9b s ARG 273 Cb -0.08 0.56 -0.10 0.00 -1.56 0.00 0.00 34.95 33.77 1a9b s ARG 273 CO 0.36 -0.52 0.94 -0.46 -0.81 0.00 0.00 175.30 174.82 1a9b s TRP 274 N -3.40 3.54 -0.10 5.12 -0.00 -1.26 -4.66 118.94 118.18 1a9b s TRP 274 Ca 0.00 1.71 -0.02 0.00 -0.00 0.00 0.00 56.10 57.79 1a9b s TRP 274 Cb -0.01 -2.89 0.03 0.00 -0.00 0.00 0.00 33.47 30.61 1a9b s TRP 274 CO -0.10 0.08 0.01 -1.21 -0.00 0.00 0.00 176.95 175.73 1a9b s GLU 275 N -2.51 0.63 0.39 5.86 2.02 -1.26 -4.95 118.70 118.88 1a9b s GLU 275 Ca 0.55 -0.00 -0.27 0.00 0.02 0.00 0.00 54.97 55.26 1a9b s GLU 275 Cb -0.15 -1.22 -0.10 0.00 0.10 0.00 0.00 34.13 32.76 1a9b s GLU 275 CO 0.19 -0.37 1.45 -2.14 0.02 0.00 0.00 175.26 174.41 1a9b s PRO 276 N 1.95 4.04 0.00 0.39 0.02 -1.26 -5.09 135.00 135.05 1a9b s PRO 276 Ca 0.04 2.48 0.21 0.00 0.02 0.00 0.00 61.00 63.75 1a9b s PRO 276 Cb -0.13 -2.91 0.16 0.00 0.02 0.00 0.00 34.50 31.64 1a9b s PRO 276 CO -0.06 -0.55 1.15 0.43 -0.33 0.00 0.00 177.00 177.64