#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa3 s ARG 2 N 0.00 3.47 1.33 2.12 0.52 -1.26 -4.92 118.95 120.21 1sa3 s ARG 2 Ca 0.00 -1.39 -0.21 0.00 -0.52 0.00 0.00 55.73 53.61 1sa3 s ARG 2 Cb 0.00 -5.38 0.33 0.00 0.52 0.00 0.00 34.95 30.42 1sa3 s ARG 2 CO 0.00 -2.63 1.01 0.95 0.02 0.00 0.00 175.30 174.64 1sa3 s THR 3 N 6.17 1.39 0.15 0.02 -4.23 -1.26 -4.45 115.64 113.43 1sa3 s THR 3 Ca 0.55 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.90 1sa3 s THR 3 Cb 0.01 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.63 1sa3 s THR 3 CO 0.02 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 175.77 1sa3 h GLU 4 N -3.07 0.26 -0.12 3.99 4.81 -1.99 0.32 114.58 118.78 1sa3 h GLU 4 Ca -0.45 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1sa3 h GLU 4 Cb 1.32 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1sa3 h GLU 4 CO 0.31 0.17 -0.01 1.25 -0.73 0.00 0.00 179.01 180.00 1sa3 h LEU 5 N 0.26 0.22 -0.96 1.64 5.85 -1.98 -2.38 115.31 117.97 1sa3 h LEU 5 Ca 0.16 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 1sa3 h LEU 5 Cb 0.14 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1sa3 h LEU 5 CO -0.17 0.51 0.02 -0.07 -0.34 0.00 0.00 178.44 178.38 1sa3 h LEU 6 N -0.06 0.74 -0.93 2.25 3.38 -1.84 -1.15 115.31 117.70 1sa3 h LEU 6 Ca 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1sa3 h LEU 6 Cb 0.40 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1sa3 h LEU 6 CO 0.01 0.80 0.55 -1.28 0.09 0.00 0.00 178.44 178.61 1sa3 h SER 7 N 0.73 1.12 -0.30 -0.43 0.87 -0.31 0.14 113.55 115.38 1sa3 h SER 7 Ca 0.15 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1sa3 h SER 7 Cb 0.42 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1sa3 h SER 7 CO 0.02 0.87 0.07 0.50 -0.53 0.00 0.00 176.83 177.76 1sa3 h LYS 8 N 1.29 0.48 -0.57 2.24 3.64 -0.84 -2.26 116.57 120.55 1sa3 h LYS 8 Ca 0.33 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1sa3 h LYS 8 Cb -0.04 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1sa3 h LYS 8 CO -0.06 0.56 0.06 -0.07 -2.27 0.00 0.00 179.45 177.67 1sa3 h LEU 9 N 0.33 0.93 -1.57 5.20 3.38 -0.71 0.07 115.31 122.93 1sa3 h LEU 9 Ca 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1sa3 h LEU 9 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1sa3 h LEU 9 CO 0.00 0.98 0.06 1.88 0.09 0.00 0.00 178.44 181.44 1sa3 h TYR 10 N 0.85 0.33 -0.05 1.13 -1.99 -0.66 -0.95 116.97 115.63 1sa3 h TYR 10 Ca 0.17 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.82 1sa3 h TYR 10 Cb 0.46 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.09 1sa3 h TYR 10 CO 0.03 0.30 -0.25 0.22 -0.00 0.00 0.00 178.16 178.46 1sa3 h ASP 11 N 0.33 0.31 -0.19 3.88 3.58 -0.92 -2.24 116.42 121.16 1sa3 h ASP 11 Ca 0.08 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 56.88 1sa3 h ASP 11 Cb 0.13 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1sa3 h ASP 11 CO -0.00 0.91 0.13 0.44 -2.88 0.00 0.00 179.24 177.84 1sa3 h ASP 12 N -0.28 0.21 -0.41 2.28 3.32 -0.57 -1.40 116.42 119.58 1sa3 h ASP 12 Ca -0.02 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1sa3 h ASP 12 Cb 0.90 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1sa3 h ASP 12 CO 0.05 0.15 0.00 0.49 -1.72 0.00 0.00 179.24 178.22 1sa3 n PHE 13 N -4.51 0.54 -3.14 4.55 3.01 -0.40 -4.96 117.46 112.56 1sa3 n PHE 13 Ca -0.00 -0.27 -0.21 0.00 1.01 0.00 0.00 57.45 57.98 1sa3 n PHE 13 Cb 0.08 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1sa3 n PHE 13 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sa3 n GLY 14 N 1.32 -0.49 0.14 1.37 0.00 -0.53 -4.88 105.19 102.13 1sa3 n GLY 14 Ca 0.18 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 1sa3 n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sa3 h ILE 15 N -0.80 0.72 0.00 -0.61 1.08 -1.68 -1.88 117.51 114.34 1sa3 h ILE 15 Ca -0.40 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1sa3 h ILE 15 Cb 1.28 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1sa3 h ILE 15 CO 0.49 0.00 0.00 0.47 -0.69 0.00 0.00 178.15 178.42 1sa3 n ASP 16 N -5.24 0.00 -0.19 1.72 8.00 -1.26 -1.60 116.55 117.98 1sa3 n ASP 16 Ca -0.03 0.43 0.12 0.00 0.71 0.00 0.00 54.79 56.02 1sa3 n ASP 16 Cb 0.16 -0.46 0.19 0.00 -0.02 0.00 0.00 41.12 40.98 1sa3 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sa3 n GLN 17 N -1.46 0.55 -2.97 -1.24 3.00 -0.71 -4.87 117.38 109.68 1sa3 n GLN 17 Ca 0.03 -0.38 -0.41 0.00 -0.01 0.00 0.00 57.00 56.23 1sa3 n GLN 17 Cb 0.12 -1.49 -0.05 0.00 0.00 0.00 0.00 30.24 28.82 1sa3 n GLN 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1sa3 s LEU 18 N -2.71 4.12 0.54 1.08 1.43 -0.63 -5.02 118.68 117.48 1sa3 s LEU 18 Ca 0.17 0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 54.05 1sa3 s LEU 18 Cb 0.18 -3.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.24 1sa3 s LEU 18 CO 0.64 -0.41 0.91 -2.65 0.23 0.00 0.00 176.35 175.06 1sa3 n PRO 19 N 5.56 0.98 0.25 1.29 -0.02 -1.26 -4.85 135.00 136.96 1sa3 n PRO 19 Ca 0.03 0.37 0.17 0.00 -2.02 0.00 0.00 63.50 62.05 1sa3 n PRO 19 Cb 0.48 -2.05 0.76 0.00 -0.02 0.00 0.00 33.50 32.67 1sa3 n PRO 19 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1sa3 h HIS 20 N 0.79 0.00 -0.00 6.00 3.86 -1.96 -1.92 115.15 121.92 1sa3 h HIS 20 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1sa3 h HIS 20 Cb 1.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.83 1sa3 h HIS 20 CO 0.38 0.00 -0.05 0.25 0.86 0.00 0.00 177.93 179.37 1sa3 n THR 21 N -2.80 0.00 -1.85 2.45 -2.24 -1.26 -4.10 114.28 104.48 1sa3 n THR 21 Ca -0.00 -0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 1sa3 n THR 21 Cb 0.20 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 1sa3 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sa3 n GLN 22 N -1.24 3.76 -0.20 -0.78 1.13 -0.72 -4.76 117.38 114.58 1sa3 n GLN 22 Ca 0.13 -3.15 -0.01 0.00 -1.94 0.00 0.00 57.00 52.03 1sa3 n GLN 22 Cb 0.27 -2.42 0.09 0.00 0.11 0.00 0.00 30.24 28.30 1sa3 n GLN 22 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1sa3 h HIS 23 N 3.89 0.43 0.02 1.08 3.86 -1.82 -1.46 115.15 121.14 1sa3 h HIS 23 Ca 0.57 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.82 1sa3 h HIS 23 Cb 0.45 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1sa3 h HIS 23 CO 1.51 0.14 -0.11 0.78 0.86 0.00 0.00 177.93 181.11 1sa3 h GLY 24 N 0.44 -0.15 1.32 2.45 0.00 -1.96 -0.48 103.07 104.70 1sa3 h GLY 24 Ca 0.29 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.68 1sa3 h GLY 24 CO -0.26 -0.12 0.03 -2.08 0.00 0.00 0.00 176.54 174.11 1sa3 h VAL 25 N -0.20 1.24 -0.43 4.60 2.07 -1.93 -2.29 116.25 119.31 1sa3 h VAL 25 Ca 0.04 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1sa3 h VAL 25 Cb 0.24 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1sa3 h VAL 25 CO -0.10 0.35 0.23 0.74 0.02 0.00 0.00 177.57 178.81 1sa3 h THR 26 N 0.78 1.16 -0.22 2.57 2.02 -0.90 0.56 112.91 118.89 1sa3 h THR 26 Ca 0.15 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1sa3 h THR 26 Cb 0.43 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1sa3 h THR 26 CO 0.02 0.17 0.12 -1.28 0.37 0.00 0.00 175.52 174.92 1sa3 h SER 27 N 0.56 0.27 -0.68 4.18 0.87 -0.87 0.18 113.55 118.07 1sa3 h SER 27 Ca 0.15 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1sa3 h SER 27 Cb 0.07 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1sa3 h SER 27 CO -0.02 0.28 0.44 0.44 -0.53 0.00 0.00 176.83 177.44 1sa3 h ASP 28 N 0.24 0.74 -0.14 6.23 3.45 -1.18 -0.31 116.42 125.45 1sa3 h ASP 28 Ca 0.08 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.50 1sa3 h ASP 28 Cb 0.07 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 1sa3 h ASP 28 CO -0.01 0.52 0.00 0.03 -1.57 0.00 0.00 179.24 178.21 1sa3 h ARG 29 N 0.88 0.25 -0.90 3.56 2.47 -0.64 -2.59 114.38 117.40 1sa3 h ARG 29 Ca 0.26 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.92 1sa3 h ARG 29 Cb -0.04 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.21 1sa3 h ARG 29 CO -0.08 0.48 0.60 -0.07 0.56 0.00 0.00 179.97 181.45 1sa3 h LEU 30 N -0.00 1.01 -0.08 3.04 3.38 -0.76 0.10 115.31 122.00 1sa3 h LEU 30 Ca 0.04 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1sa3 h LEU 30 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1sa3 h LEU 30 CO 0.01 0.72 0.02 1.23 0.09 0.00 0.00 178.44 180.50 1sa3 h GLY 31 N 1.19 0.09 1.50 0.83 0.00 -0.87 -0.28 103.07 105.53 1sa3 h GLY 31 Ca 0.34 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.57 1sa3 h GLY 31 CO -0.09 0.00 -0.22 0.50 0.00 0.00 0.00 176.54 176.74 1sa3 h LYS 32 N 0.05 0.58 -0.36 4.80 1.79 -1.14 -2.71 116.57 119.59 1sa3 h LYS 32 Ca 0.04 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 1sa3 h LYS 32 Cb 0.03 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1sa3 h LYS 32 CO -0.05 0.76 0.17 1.25 -1.08 0.00 0.00 179.45 180.51 1sa3 h LEU 33 N 0.52 0.47 -0.95 2.94 6.46 -0.31 -1.74 115.31 122.71 1sa3 h LEU 33 Ca 0.08 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1sa3 h LEU 33 Cb 0.66 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 1sa3 h LEU 33 CO 0.05 0.47 -0.20 1.88 -0.62 0.00 0.00 178.44 180.01 1sa3 h TYR 34 N 0.45 0.00 -0.22 1.25 -1.99 -0.97 -0.46 116.97 115.02 1sa3 h TYR 34 Ca 0.12 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.79 1sa3 h TYR 34 Cb 0.12 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1sa3 h TYR 34 CO -0.01 0.20 -0.13 1.49 -0.00 0.00 0.00 178.16 179.71 1sa3 h GLU 35 N 0.00 0.47 -0.17 4.88 4.81 -1.23 -2.90 114.58 120.45 1sa3 h GLU 35 Ca -0.00 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1sa3 h GLU 35 Cb 0.80 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1sa3 h GLU 35 CO 0.03 0.76 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.79 1sa3 h LYS 36 N 0.17 0.25 -0.68 1.92 3.11 -0.84 -1.83 116.57 118.67 1sa3 h LYS 36 Ca 0.05 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1sa3 h LYS 36 Cb 0.63 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.79 1sa3 h LYS 36 CO 0.04 0.33 0.43 -0.92 -2.81 0.00 0.00 179.45 176.52 1sa3 h TYR 37 N 0.24 0.87 -0.24 1.91 3.20 -0.91 -0.11 116.97 121.94 1sa3 h TYR 37 Ca 0.05 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1sa3 h TYR 37 Cb 0.27 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1sa3 h TYR 37 CO 0.00 0.56 -0.14 0.82 -1.64 0.00 0.00 178.16 177.77 1sa3 h ILE 38 N 0.92 1.31 -0.96 1.81 1.08 -1.21 -2.41 117.51 118.04 1sa3 h ILE 38 Ca 0.25 -1.23 0.06 0.00 -0.39 0.00 0.00 64.86 63.54 1sa3 h ILE 38 Cb -0.07 1.59 -0.06 0.00 -3.07 0.00 0.00 36.82 35.21 1sa3 h ILE 38 CO -0.05 0.38 0.62 -0.07 -0.69 0.00 0.00 178.15 178.34 1sa3 h LEU 39 N 0.23 1.00 -0.38 1.44 3.38 -0.94 -2.02 115.31 118.03 1sa3 h LEU 39 Ca 0.05 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1sa3 h LEU 39 Cb 0.65 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sa3 h LEU 39 CO 0.04 0.65 -0.61 0.44 0.09 0.00 0.00 178.44 179.06 1sa3 h ASP 40 N 1.15 0.76 -0.50 -0.43 3.32 -0.99 0.01 116.42 119.74 1sa3 h ASP 40 Ca 0.41 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1sa3 h ASP 40 Cb 0.12 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1sa3 h ASP 40 CO -0.16 1.19 0.20 0.40 -1.72 0.00 0.00 179.24 179.15 1sa3 h ILE 41 N 0.50 1.21 -0.58 0.35 2.04 -1.01 -2.86 117.51 117.16 1sa3 h ILE 41 Ca -0.00 -0.67 -0.33 0.00 1.00 0.00 0.00 64.86 64.85 1sa3 h ILE 41 Cb 1.19 0.57 -0.19 0.00 -0.74 0.00 0.00 36.82 37.65 1sa3 h ILE 41 CO 0.12 0.26 0.08 0.49 0.00 0.00 0.00 178.15 179.11 1sa3 n PHE 42 N -4.32 1.83 -0.15 1.37 3.01 -0.80 -3.18 117.46 115.23 1sa3 n PHE 42 Ca 0.04 -1.85 -0.10 0.00 1.01 0.00 0.00 57.45 56.56 1sa3 n PHE 42 Cb 0.18 -0.66 -0.01 0.00 -0.01 0.00 0.00 39.48 38.98 1sa3 n PHE 42 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1sa3 h LYS 43 N 1.19 0.72 -3.27 -1.08 3.64 -0.75 -3.26 116.57 113.77 1sa3 h LYS 43 Ca 0.36 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1sa3 h LYS 43 Cb 1.82 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.50 1sa3 h LYS 43 CO 0.68 0.77 0.10 0.16 -2.27 0.00 0.00 179.45 178.89 1sa3 s ASP 44 N -6.16 -0.09 0.43 4.20 3.84 -1.25 -4.10 116.67 113.54 1sa3 s ASP 44 Ca -0.13 -0.86 0.09 0.00 -0.00 0.00 0.00 52.55 51.65 1sa3 s ASP 44 Cb 0.10 0.70 0.93 0.00 -1.38 0.00 0.00 42.92 43.28 1sa3 s ASP 44 CO 0.79 -1.34 2.07 -0.29 -0.00 0.00 0.00 175.17 176.40 1sa3 h ILE 45 N 2.08 1.09 -0.17 2.11 6.09 -1.91 -1.35 117.51 125.44 1sa3 h ILE 45 Ca -0.24 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.05 1sa3 h ILE 45 Cb 1.25 0.64 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 1sa3 h ILE 45 CO 0.31 0.09 0.07 -0.33 -3.07 0.00 0.00 178.15 175.22 1sa3 h GLU 46 N 0.43 0.26 -0.31 2.19 3.07 -1.96 -1.61 114.58 116.65 1sa3 h GLU 46 Ca 0.12 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1sa3 h GLU 46 Cb -0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1sa3 h GLU 46 CO -0.02 0.34 0.14 0.77 -1.40 0.00 0.00 179.01 178.84 1sa3 h SER 47 N 0.13 0.40 -0.41 1.42 0.02 -1.70 -1.27 113.55 112.14 1sa3 h SER 47 Ca 0.06 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1sa3 h SER 47 Cb 0.18 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1sa3 h SER 47 CO -0.00 0.42 0.24 0.25 -1.14 0.00 0.00 176.83 176.60 1sa3 h LEU 48 N 0.36 0.50 -1.13 5.07 5.85 -1.21 0.42 115.31 125.17 1sa3 h LEU 48 Ca 0.10 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1sa3 h LEU 48 Cb 0.13 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1sa3 h LEU 48 CO -0.01 0.42 0.07 0.11 -0.34 0.00 0.00 178.44 178.69 1sa3 h LYS 49 N 0.53 0.68 0.15 1.25 1.57 -1.20 -1.86 116.57 117.70 1sa3 h LYS 49 Ca 0.15 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1sa3 h LYS 49 Cb 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1sa3 h LYS 49 CO -0.03 0.65 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.21 1sa3 h LYS 50 N 0.66 -0.19 0.00 3.15 3.64 -0.62 -3.29 116.57 119.92 1sa3 h LYS 50 Ca 0.14 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1sa3 h LYS 50 Cb 0.31 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1sa3 h LYS 50 CO 0.00 0.06 -0.15 1.88 -2.27 0.00 0.00 179.45 178.97 1sa3 h TYR 51 N -0.42 0.00 -0.75 1.91 0.99 -0.81 -3.26 116.97 114.62 1sa3 h TYR 51 Ca -0.02 0.00 -0.40 0.00 2.00 0.00 0.00 58.73 60.31 1sa3 h TYR 51 Cb 0.33 0.00 -0.15 0.00 1.00 0.00 0.00 36.73 37.91 1sa3 h TYR 51 CO 0.00 0.15 0.32 -1.71 -0.00 0.00 0.00 178.16 176.92 1sa3 n ASN 52 N -3.24 6.34 -4.21 3.88 5.15 -0.71 -2.00 115.26 120.47 1sa3 n ASN 52 Ca 0.01 -3.08 -0.14 0.00 -0.60 0.00 0.00 54.58 50.78 1sa3 n ASN 52 Cb 0.45 -1.19 -0.10 0.00 -0.53 0.00 0.00 39.78 38.40 1sa3 n ASN 52 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1sa3 s THR 53 N -1.92 1.00 -1.53 -0.44 -4.23 -1.23 -4.99 115.64 102.30 1sa3 s THR 53 Ca 0.50 -1.87 0.07 0.00 -1.18 0.00 0.00 61.69 59.20 1sa3 s THR 53 Cb 0.33 -1.63 0.13 0.00 1.34 0.00 0.00 72.50 72.67 1sa3 s THR 53 CO -0.13 -0.69 1.04 0.59 -0.54 0.00 0.00 174.62 174.89 1sa3 n ASN 54 N 0.13 0.00 0.19 3.99 5.03 -1.26 -1.22 115.26 122.12 1sa3 n ASN 54 Ca -0.13 0.12 0.13 0.00 0.87 0.00 0.00 54.58 55.57 1sa3 n ASN 54 Cb 0.59 -0.24 0.31 0.00 -1.02 0.00 0.00 39.78 39.43 1sa3 n ASN 54 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sa3 h ALA 55 N 2.34 1.00 -2.12 5.41 0.00 -1.92 -3.35 119.26 120.62 1sa3 h ALA 55 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1sa3 h ALA 55 Cb 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.45 1sa3 h ALA 55 CO 0.00 0.00 -0.99 1.19 0.00 0.00 0.00 179.25 179.45 1sa3 n PHE 56 N -2.84 0.28 -0.34 0.00 3.01 -0.36 -5.00 117.46 112.21 1sa3 n PHE 56 Ca 0.04 -3.64 0.23 0.00 1.01 0.00 0.00 57.45 55.09 1sa3 n PHE 56 Cb 0.46 -0.30 0.49 0.00 -0.01 0.00 0.00 39.48 40.12 1sa3 n PHE 56 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1sa3 h PRO 57 N 4.32 0.39 0.02 -1.08 0.11 -1.70 0.94 132.00 135.00 1sa3 h PRO 57 Ca 0.12 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1sa3 h PRO 57 Cb 0.85 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1sa3 h PRO 57 CO 0.51 0.26 -0.01 0.37 -0.21 0.00 0.00 178.00 178.92 1sa3 h GLN 58 N 0.40 -0.03 0.00 1.05 4.15 -1.92 -2.34 115.11 116.42 1sa3 h GLN 58 Ca 0.65 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 60.03 1sa3 h GLN 58 Cb 1.57 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.26 1sa3 h GLN 58 CO -0.39 0.68 -0.20 0.93 -1.93 0.00 0.00 178.83 177.92 1sa3 h GLU 59 N -0.80 0.00 -0.39 1.69 3.07 -1.72 -1.62 114.58 114.80 1sa3 h GLU 59 Ca -0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1sa3 h GLU 59 Cb 0.72 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 1sa3 h GLU 59 CO 0.00 0.20 -0.30 -0.22 -1.40 0.00 0.00 179.01 177.29 1sa3 h LYS 60 N 0.00 0.90 -0.51 2.33 3.64 -0.18 0.55 116.57 123.29 1sa3 h LYS 60 Ca -0.00 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1sa3 h LYS 60 Cb 0.45 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1sa3 h LYS 60 CO 0.03 1.09 0.23 0.22 -2.27 0.00 0.00 179.45 178.75 1sa3 h ASP 61 N 0.71 0.68 0.18 4.20 3.58 -0.79 0.93 116.42 125.92 1sa3 h ASP 61 Ca 0.07 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1sa3 h ASP 61 Cb 0.88 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1sa3 h ASP 61 CO 0.08 0.63 -0.09 0.40 -2.88 0.00 0.00 179.24 177.39 1sa3 h ILE 62 N 0.68 0.91 -0.78 2.25 2.04 -1.19 -1.53 117.51 119.90 1sa3 h ILE 62 Ca 0.17 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1sa3 h ILE 62 Cb 0.14 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1sa3 h ILE 62 CO -0.02 0.11 0.35 0.77 0.00 0.00 0.00 178.15 179.36 1sa3 h SER 63 N -0.47 1.04 -0.72 1.72 4.64 -0.83 -1.90 113.55 117.04 1sa3 h SER 63 Ca -0.02 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.08 1sa3 h SER 63 Cb 0.36 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 1sa3 h SER 63 CO 0.04 0.89 0.19 0.28 -0.87 0.00 0.00 176.83 177.37 1sa3 h SER 64 N 1.11 1.08 -0.39 4.97 0.02 -0.79 -1.22 113.55 118.32 1sa3 h SER 64 Ca 0.26 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1sa3 h SER 64 Cb 0.15 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1sa3 h SER 64 CO -0.03 1.02 0.06 0.11 -1.14 0.00 0.00 176.83 176.85 1sa3 h LYS 65 N 1.08 0.73 -0.16 3.45 1.57 -0.99 0.52 116.57 122.77 1sa3 h LYS 65 Ca 0.23 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1sa3 h LYS 65 Cb 0.35 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1sa3 h LYS 65 CO -0.00 0.71 -0.10 1.25 -0.57 0.00 0.00 179.45 180.74 1sa3 h LEU 66 N 0.70 0.37 -1.12 2.94 6.46 -0.92 -1.92 115.31 121.82 1sa3 h LEU 66 Ca 0.15 -0.43 -0.06 0.00 -0.12 0.00 0.00 57.88 57.41 1sa3 h LEU 66 Cb 0.35 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1sa3 h LEU 66 CO 0.01 0.72 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.40 1sa3 h LEU 67 N 0.01 0.50 -0.53 2.25 3.38 -1.07 -2.83 115.31 117.03 1sa3 h LEU 67 Ca 0.03 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1sa3 h LEU 67 Cb 0.59 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1sa3 h LEU 67 CO 0.03 0.63 -0.01 0.50 0.09 0.00 0.00 178.44 179.68 1sa3 h LYS 68 N 0.49 0.94 0.00 1.13 3.64 -0.80 -0.01 116.57 121.96 1sa3 h LYS 68 Ca 0.10 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1sa3 h LYS 68 Cb 0.44 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1sa3 h LYS 68 CO 0.02 0.96 -0.02 0.00 -2.27 0.00 0.00 179.45 178.14 1sa3 h ALA 69 N 0.95 1.07 -0.02 5.00 0.00 -1.11 -1.45 119.26 123.70 1sa3 h ALA 69 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sa3 h ALA 69 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1sa3 h ALA 69 CO 0.03 0.03 -0.17 1.28 0.00 0.00 0.00 179.25 180.41 1sa3 n LEU 70 N -3.22 2.41 -3.76 0.00 4.77 -0.81 -4.51 117.00 111.88 1sa3 n LEU 70 Ca -0.02 -0.90 -0.25 0.00 -0.03 0.00 0.00 56.01 54.81 1sa3 n LEU 70 Cb 0.17 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1sa3 n LEU 70 CO 0.24 0.42 0.04 0.59 -1.33 0.00 0.00 177.39 177.36 1sa3 n ASN 71 N 0.69 -3.13 -4.40 -1.43 3.02 -0.14 -4.98 115.26 104.89 1sa3 n ASN 71 Ca 0.11 -0.76 -0.32 0.00 -0.03 0.00 0.00 54.58 53.57 1sa3 n ASN 71 Cb 0.49 -4.15 -0.14 0.00 -0.61 0.00 0.00 39.78 35.36 1sa3 n ASN 71 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sa3 s LEU 72 N -6.95 2.44 -0.16 3.41 1.43 -0.49 -5.04 118.68 113.32 1sa3 s LEU 72 Ca 0.31 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.96 1sa3 s LEU 72 Cb -0.15 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 1sa3 s LEU 72 CO 0.81 0.32 0.27 -1.81 0.23 0.00 0.00 176.35 176.17 1sa3 s ASP 73 N -0.59 6.42 0.28 2.29 1.01 -1.26 -4.56 116.67 120.27 1sa3 s ASP 73 Ca 0.09 0.49 0.02 0.00 0.71 0.00 0.00 52.55 53.86 1sa3 s ASP 73 Cb -0.11 -2.17 0.63 0.00 1.01 0.00 0.00 42.92 42.28 1sa3 s ASP 73 CO 0.01 0.14 1.75 0.25 0.21 0.00 0.00 175.17 177.53 1sa3 h LEU 74 N 6.48 0.57 -1.22 1.23 5.85 -1.97 -0.47 115.31 125.78 1sa3 h LEU 74 Ca -0.42 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1sa3 h LEU 74 Cb 1.17 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1sa3 h LEU 74 CO 0.74 0.20 0.00 0.44 -0.34 0.00 0.00 178.44 179.48 1sa3 h ASP 75 N 0.63 0.00 0.29 1.25 3.32 -2.05 -1.69 116.42 118.16 1sa3 h ASP 75 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1sa3 h ASP 75 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1sa3 h ASP 75 CO -0.40 0.00 -0.49 0.59 -1.72 0.00 0.00 179.24 177.22 1sa3 n ASN 76 N -2.34 0.89 -4.65 6.45 3.02 -0.19 -4.85 115.26 113.60 1sa3 n ASN 76 Ca 0.00 -0.69 -0.41 0.00 -0.03 0.00 0.00 54.58 53.45 1sa3 n ASN 76 Cb 0.13 0.35 -0.05 0.00 -0.61 0.00 0.00 39.78 39.60 1sa3 n ASN 76 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sa3 s ILE 77 N -2.79 4.88 -0.13 2.41 1.01 -0.64 -4.00 121.20 121.94 1sa3 s ILE 77 Ca 0.16 1.50 0.14 0.00 0.00 0.00 0.00 60.65 62.44 1sa3 s ILE 77 Cb 0.18 -4.08 -0.24 0.00 0.01 0.00 0.00 42.46 38.33 1sa3 s ILE 77 CO 0.65 -0.02 0.32 -0.38 0.00 0.00 0.00 174.94 175.52 1sa3 n ILE 78 N 5.07 1.50 -3.60 2.92 2.08 0.57 -5.00 119.36 122.90 1sa3 n ILE 78 Ca 0.04 -0.81 -0.13 0.00 0.56 0.00 0.00 62.75 62.41 1sa3 n ILE 78 Cb 0.48 -0.80 -0.05 0.00 -0.75 0.00 0.00 39.64 38.52 1sa3 n ILE 78 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1sa3 s ASP 79 N -5.85 -0.37 -0.02 4.38 2.15 -0.97 -4.93 116.67 111.05 1sa3 s ASP 79 Ca -0.09 0.03 -0.13 0.00 0.43 0.00 0.00 52.55 52.78 1sa3 s ASP 79 Cb 0.07 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.19 1sa3 s ASP 79 CO 0.82 -0.74 0.29 -0.69 -0.17 0.00 0.00 175.17 174.67 1sa3 s VAL 80 N -2.77 0.05 0.11 1.11 1.01 -1.26 -0.42 120.40 118.23 1sa3 s VAL 80 Ca -0.03 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1sa3 s VAL 80 Cb -0.00 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.84 1sa3 s VAL 80 CO -0.04 -0.25 0.40 -0.94 0.00 0.00 0.00 175.10 174.28 1sa3 s SER 81 N -1.16 -0.25 0.11 3.32 1.04 -0.97 -3.72 113.70 112.08 1sa3 s SER 81 Ca -0.12 -0.25 -0.12 0.00 0.48 0.00 0.00 55.95 55.94 1sa3 s SER 81 Cb -0.05 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1sa3 s SER 81 CO 0.03 -0.82 0.29 -0.94 0.98 0.00 0.00 173.24 172.79 1sa3 s SER 82 N -2.64 -0.03 -0.07 7.02 1.04 -1.23 -0.77 113.70 117.02 1sa3 s SER 82 Ca 0.01 -0.55 -0.29 0.00 0.48 0.00 0.00 55.95 55.60 1sa3 s SER 82 Cb 0.01 0.41 0.11 0.00 0.10 0.00 0.00 66.02 66.65 1sa3 s SER 82 CO -0.10 -0.80 0.88 -0.94 0.98 0.00 0.00 173.24 173.26 1sa3 s SER 83 N -2.85 -0.43 0.57 7.02 1.04 -0.35 -4.97 113.70 113.73 1sa3 s SER 83 Ca 0.06 0.30 -0.20 0.00 0.48 0.00 0.00 55.95 56.59 1sa3 s SER 83 Cb 0.03 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1sa3 s SER 83 CO -0.10 -0.52 1.22 -0.62 0.98 0.00 0.00 173.24 174.20 1sa3 s ASP 84 N -1.69 5.31 -0.21 7.02 3.68 -1.26 -0.92 116.67 128.59 1sa3 s ASP 84 Ca -0.01 2.41 -0.04 0.00 2.13 0.00 0.00 52.55 57.04 1sa3 s ASP 84 Cb -0.01 -2.60 -0.02 0.00 -1.45 0.00 0.00 42.92 38.84 1sa3 s ASP 84 CO -0.01 -1.51 -0.02 -0.89 0.13 0.00 0.00 175.17 172.86 1sa3 s THR 85 N -1.56 3.68 -0.37 1.71 2.01 -0.71 -4.77 115.64 115.63 1sa3 s THR 85 Ca 0.75 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.38 1sa3 s THR 85 Cb -0.31 -2.67 0.15 0.00 0.01 0.00 0.00 72.50 69.68 1sa3 s THR 85 CO 0.34 0.42 0.34 -0.62 -0.69 0.00 0.00 174.62 174.41 1sa3 s ASP 86 N 1.25 1.57 0.30 3.53 2.15 -1.26 -4.74 116.67 119.47 1sa3 s ASP 86 Ca 0.03 -1.70 0.20 0.00 0.43 0.00 0.00 52.55 51.51 1sa3 s ASP 86 Cb -0.14 0.35 0.13 0.00 -0.30 0.00 0.00 42.92 42.95 1sa3 s ASP 86 CO -0.00 -0.27 1.33 -0.07 -0.17 0.00 0.00 175.17 175.99 1sa3 h LEU 87 N 7.07 0.00 1.95 -1.34 3.38 -1.95 -3.48 115.31 120.93 1sa3 h LEU 87 Ca 0.05 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.69 1sa3 h LEU 87 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1sa3 h LEU 87 CO 0.22 0.19 -0.44 0.61 0.09 0.00 0.00 178.44 179.10 1sa3 n GLY 88 N 1.19 -0.31 3.26 0.83 0.00 -1.26 -4.99 105.19 103.90 1sa3 n GLY 88 Ca 0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1sa3 n GLY 88 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sa3 s ARG 89 N -5.00 1.11 0.19 1.61 1.70 -1.26 -5.17 118.95 112.13 1sa3 s ARG 89 Ca 0.06 -1.37 0.08 0.00 -0.47 0.00 0.00 55.73 54.03 1sa3 s ARG 89 Cb -0.03 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1sa3 s ARG 89 CO 0.08 -0.37 -0.17 0.95 -1.08 0.00 0.00 175.30 174.71 1sa3 s THR 90 N -4.04 1.83 0.17 4.99 -4.23 -1.26 -4.34 115.64 108.75 1sa3 s THR 90 Ca 0.25 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.69 1sa3 s THR 90 Cb 0.05 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.92 1sa3 s THR 90 CO 0.04 -0.45 0.09 2.30 -0.54 0.00 0.00 174.62 176.06 1sa3 n ILE 91 N -0.08 0.00 -1.57 2.99 -5.35 -0.09 -4.96 119.36 110.31 1sa3 n ILE 91 Ca -0.10 -1.04 -0.46 0.00 -0.27 0.00 0.00 62.75 60.87 1sa3 n ILE 91 Cb 0.59 0.43 -0.04 0.00 -1.74 0.00 0.00 39.64 38.87 1sa3 n ILE 91 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sa3 n ALA 92 N -2.10 1.41 0.00 -1.28 0.00 -1.26 0.06 120.51 117.33 1sa3 n ALA 92 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1sa3 n ALA 92 Cb 0.27 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 16.99 1sa3 n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sa3 n GLY 93 N 5.67 0.63 0.00 0.00 0.00 -1.26 -4.97 105.19 105.26 1sa3 n GLY 93 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1sa3 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sa3 n GLY 94 N -1.23 -0.50 3.76 -0.02 0.00 0.11 -5.01 105.19 102.30 1sa3 n GLY 94 Ca 0.00 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1sa3 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sa3 s SER 95 N -4.00 6.64 0.54 1.61 0.01 -1.26 -0.91 113.70 116.33 1sa3 s SER 95 Ca 0.00 2.75 -0.20 0.00 1.31 0.00 0.00 55.95 59.81 1sa3 s SER 95 Cb 0.00 -2.64 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 1sa3 s SER 95 CO 0.00 -0.67 0.88 -2.65 0.41 0.00 0.00 173.24 171.21 1sa3 n PRO 96 N 1.39 0.95 -0.05 12.44 -0.02 -1.26 -4.87 135.00 143.58 1sa3 n PRO 96 Ca 0.03 0.36 0.03 0.00 -2.02 0.00 0.00 63.50 61.90 1sa3 n PRO 96 Cb 0.41 -2.02 0.11 0.00 -0.02 0.00 0.00 33.50 31.97 1sa3 n PRO 96 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1sa3 n LYS 97 N -0.43 1.25 -2.89 -0.52 4.76 -1.26 -4.85 118.16 114.22 1sa3 n LYS 97 Ca 0.12 -0.39 -0.42 0.00 -2.87 0.00 0.00 58.31 54.75 1sa3 n LYS 97 Cb 0.45 -1.12 -0.04 0.00 -1.84 0.00 0.00 35.03 32.48 1sa3 n LYS 97 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1sa3 s THR 98 N -1.86 4.75 -0.07 -0.18 2.01 -1.26 -4.44 115.64 114.59 1sa3 s THR 98 Ca 0.10 1.30 0.14 0.00 0.31 0.00 0.00 61.69 63.54 1sa3 s THR 98 Cb 0.05 -4.19 -0.18 0.00 0.01 0.00 0.00 72.50 68.19 1sa3 s THR 98 CO 0.07 -0.28 0.79 0.44 -0.69 0.00 0.00 174.62 174.96 1sa3 h ASP 99 N 8.09 0.00 -5.44 3.53 3.32 -0.13 -3.43 116.42 122.36 1sa3 h ASP 99 Ca -0.24 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.03 1sa3 h ASP 99 Cb 1.09 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 1sa3 h ASP 99 CO 0.91 0.82 0.57 0.00 -1.72 0.00 0.00 179.24 179.82 1sa3 s ALA 100 N -2.74 -1.79 0.05 3.45 0.00 -1.10 -1.75 121.76 117.89 1sa3 s ALA 100 Ca -0.03 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1sa3 s ALA 100 Cb 0.08 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1sa3 s ALA 100 CO 0.82 -1.05 -0.05 0.95 0.00 0.00 0.00 175.76 176.43 1sa3 s THR 101 N -3.03 0.36 -0.04 0.00 -4.23 -0.10 0.52 115.64 109.11 1sa3 s THR 101 Ca 0.13 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1sa3 s THR 101 Cb 0.00 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.81 1sa3 s THR 101 CO 0.01 -0.71 -0.11 -0.63 -0.54 0.00 0.00 174.62 172.63 1sa3 s ILE 102 N -2.68 1.00 -0.15 2.99 1.01 -0.96 -1.21 121.20 121.19 1sa3 s ILE 102 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1sa3 s ILE 102 Cb -0.01 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 1sa3 s ILE 102 CO -0.04 0.31 -0.16 -0.60 0.00 0.00 0.00 174.94 174.45 1sa3 s ARG 103 N 0.37 3.22 -0.12 2.79 3.52 0.05 0.00 118.95 128.77 1sa3 s ARG 103 Ca -0.08 -0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 54.74 1sa3 s ARG 103 Cb -0.12 -2.61 -0.03 0.00 -1.56 0.00 0.00 34.95 30.63 1sa3 s ARG 103 CO 0.02 0.03 0.00 -0.06 -0.81 0.00 0.00 175.30 174.48 1sa3 s PHE 104 N 0.77 3.13 -0.13 5.12 0.40 -0.32 -2.29 117.98 124.67 1sa3 s PHE 104 Ca -0.06 0.02 -0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1sa3 s PHE 104 Cb -0.15 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 1sa3 s PHE 104 CO 0.00 0.26 -0.06 0.99 0.70 0.00 0.00 175.22 177.11 1sa3 s THR 105 N -0.29 3.68 0.56 0.64 2.01 0.44 -0.85 115.64 121.84 1sa3 s THR 105 Ca 0.06 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 61.70 1sa3 s THR 105 Cb -0.12 -2.57 0.09 0.00 0.01 0.00 0.00 72.50 69.90 1sa3 s THR 105 CO 0.02 0.53 0.74 0.49 -0.69 0.00 0.00 174.62 175.71 1sa3 n PHE 106 N 3.17 -2.13 -0.29 4.92 3.01 0.41 -0.31 117.46 126.22 1sa3 n PHE 106 Ca -0.18 -2.09 -0.02 0.00 1.01 0.00 0.00 57.45 56.18 1sa3 n PHE 106 Cb 0.53 -0.53 0.10 0.00 -0.01 0.00 0.00 39.48 39.57 1sa3 n PHE 106 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 1sa3 h HIS 107 N 0.15 0.97 -0.13 1.38 2.07 -1.86 -2.63 115.15 115.10 1sa3 h HIS 107 Ca -0.27 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 1sa3 h HIS 107 Cb 1.22 -0.32 0.00 0.00 2.57 0.00 0.00 27.41 30.88 1sa3 h HIS 107 CO 0.00 0.56 0.00 0.27 -3.07 0.00 0.00 177.93 175.69 1sa3 n ASN 108 N -4.59 1.79 0.00 3.10 6.94 -1.26 -4.83 115.26 116.41 1sa3 n ASN 108 Ca 0.10 -2.16 0.00 0.00 -0.02 0.00 0.00 54.58 52.50 1sa3 n ASN 108 Cb 0.09 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 1sa3 n ASN 108 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sa3 n GLN 109 N 0.10 -0.09 -2.05 -3.83 3.00 -0.99 -5.02 117.38 108.50 1sa3 n GLN 109 Ca 0.06 0.02 -0.28 0.00 -0.01 0.00 0.00 57.00 56.79 1sa3 n GLN 109 Cb 0.39 -2.95 0.06 0.00 0.00 0.00 0.00 30.24 27.74 1sa3 n GLN 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1sa3 s SER 110 N -2.58 5.03 0.21 1.08 1.04 -1.26 -4.81 113.70 112.41 1sa3 s SER 110 Ca 0.00 0.80 -0.11 0.00 0.48 0.00 0.00 55.95 57.11 1sa3 s SER 110 Cb 0.00 -1.50 -0.00 0.00 0.10 0.00 0.00 66.02 64.62 1sa3 s SER 110 CO 0.00 -1.53 0.40 -0.94 0.98 0.00 0.00 173.24 172.15 1sa3 s SER 111 N -4.46 -0.06 -0.06 7.02 1.04 -1.26 -0.45 113.70 115.48 1sa3 s SER 111 Ca 0.59 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1sa3 s SER 111 Cb -0.11 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.56 1sa3 s SER 111 CO 0.48 -1.03 -0.05 -0.60 0.98 0.00 0.00 173.24 173.02 1sa3 s ARG 112 N -3.99 0.97 -0.07 4.02 6.06 -0.03 -4.98 118.95 120.93 1sa3 s ARG 112 Ca 0.20 -0.12 -0.15 0.00 -2.50 0.00 0.00 55.73 53.17 1sa3 s ARG 112 Cb 0.01 -1.01 -0.05 0.00 0.06 0.00 0.00 34.95 33.96 1sa3 s ARG 112 CO 0.05 -0.13 0.38 -1.17 -2.50 0.00 0.00 175.30 171.92 1sa3 s LEU 113 N 1.18 4.37 -0.43 -0.88 2.96 -1.26 -1.18 118.68 123.44 1sa3 s LEU 113 Ca -0.07 0.79 0.03 0.00 -0.22 0.00 0.00 54.13 54.67 1sa3 s LEU 113 Cb -0.14 -2.53 0.12 0.00 0.50 0.00 0.00 46.19 44.15 1sa3 s LEU 113 CO -0.01 0.21 0.18 -0.69 -1.32 0.00 0.00 176.35 174.72 1sa3 s VAL 114 N -0.35 1.99 0.32 1.68 1.01 0.10 -3.96 120.40 121.18 1sa3 s VAL 114 Ca 0.22 -2.65 -0.29 0.00 0.00 0.00 0.00 61.98 59.26 1sa3 s VAL 114 Cb -0.15 -2.42 -0.10 0.00 0.00 0.00 0.00 36.38 33.71 1sa3 s VAL 114 CO 0.10 -0.76 1.24 -2.16 0.00 0.00 0.00 175.10 173.52 1sa3 s PRO 115 N 0.40 4.42 0.11 2.72 0.04 -1.26 -2.26 135.00 139.18 1sa3 s PRO 115 Ca 0.15 2.08 0.07 0.00 0.04 0.00 0.00 61.00 63.34 1sa3 s PRO 115 Cb -0.23 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1sa3 s PRO 115 CO -0.05 -0.08 -0.18 -0.51 0.04 0.00 0.00 177.00 176.23 1sa3 s LEU 116 N -1.73 2.35 -0.12 -3.56 1.43 0.19 -0.39 118.68 116.84 1sa3 s LEU 116 Ca 0.48 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1sa3 s LEU 116 Cb -0.37 -0.73 0.01 0.00 0.03 0.00 0.00 46.19 45.12 1sa3 s LEU 116 CO 0.49 -0.03 -0.22 0.21 0.23 0.00 0.00 176.35 177.02 1sa3 s ASN 117 N -2.17 3.06 -0.06 2.29 3.84 -0.84 0.62 114.94 121.69 1sa3 s ASN 117 Ca 0.08 -0.58 0.03 0.00 0.21 0.00 0.00 52.86 52.60 1sa3 s ASN 117 Cb -0.08 -1.41 0.01 0.00 -0.55 0.00 0.00 41.25 39.21 1sa3 s ASN 117 CO 0.04 0.10 -0.15 -0.63 -2.79 0.00 0.00 177.10 173.67 1sa3 s ILE 118 N 0.67 1.34 0.14 -5.21 1.01 -1.26 -1.04 121.20 116.84 1sa3 s ILE 118 Ca -0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 1sa3 s ILE 118 Cb -0.16 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1sa3 s ILE 118 CO 0.02 0.40 0.06 -0.54 0.00 0.00 0.00 174.94 174.87 1sa3 s LYS 119 N 0.40 0.96 0.04 2.79 1.02 -0.78 -4.97 119.74 119.20 1sa3 s LYS 119 Ca -0.11 -1.46 0.04 0.00 0.02 0.00 0.00 55.97 54.46 1sa3 s LYS 119 Cb -0.14 0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1sa3 s LYS 119 CO 0.04 -0.27 -0.12 -3.38 -0.92 0.00 0.00 175.35 170.70 1sa3 s HIS 120 N -4.05 1.04 0.02 3.18 -3.43 -1.26 -1.38 115.29 109.40 1sa3 s HIS 120 Ca 0.26 -0.39 -0.27 0.00 -0.80 0.00 0.00 55.06 53.85 1sa3 s HIS 120 Cb 0.07 -0.61 0.09 0.00 -1.43 0.00 0.00 32.58 30.71 1sa3 s HIS 120 CO 0.03 0.01 0.79 0.45 -2.00 0.00 0.00 174.74 174.02 1sa3 s SER 121 N -1.30 -0.46 0.00 7.38 0.15 -0.67 -4.95 113.70 113.85 1sa3 s SER 121 Ca -0.02 0.13 0.24 0.00 0.70 0.00 0.00 55.95 57.00 1sa3 s SER 121 Cb -0.08 0.45 0.26 0.00 -1.71 0.00 0.00 66.02 64.95 1sa3 s SER 121 CO 0.01 -0.69 1.25 -1.54 1.20 0.00 0.00 173.24 173.47 1sa3 n SER 122 N -0.04 1.19 -4.78 5.45 3.41 -1.21 -0.51 113.62 117.13 1sa3 n SER 122 Ca -0.12 -0.95 -0.25 0.00 -0.26 0.00 0.00 58.87 57.28 1sa3 n SER 122 Cb 0.62 0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 64.96 1sa3 n SER 122 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1sa3 s LYS 123 N -2.72 2.25 0.13 4.33 -0.14 -1.26 -4.87 119.74 117.46 1sa3 s LYS 123 Ca 0.16 -1.90 0.07 0.00 -1.36 0.00 0.00 55.97 52.94 1sa3 s LYS 123 Cb 0.18 -1.98 -0.16 0.00 -1.68 0.00 0.00 37.83 34.18 1sa3 s LYS 123 CO 0.65 -0.22 1.31 0.87 -0.76 0.00 0.00 175.35 177.20 1sa3 h LYS 124 N 1.29 0.00 -6.55 1.68 1.57 -1.95 -3.45 116.57 109.16 1sa3 h LYS 124 Ca -0.42 -0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.66 1sa3 h LYS 124 Cb 1.27 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.28 1sa3 h LYS 124 CO 0.68 0.97 -0.88 0.15 -0.57 0.00 0.00 179.45 179.79 1sa3 s LYS 125 N -2.78 2.16 0.07 3.15 3.01 -1.26 -4.94 119.74 119.15 1sa3 s LYS 125 Ca 0.01 -0.91 -0.10 0.00 -1.01 0.00 0.00 55.97 53.95 1sa3 s LYS 125 Cb 0.10 -2.07 0.01 0.00 -1.01 0.00 0.00 37.83 34.86 1sa3 s LYS 125 CO 0.82 0.55 0.23 0.54 0.51 0.00 0.00 175.35 178.00 1sa3 s VAL 126 N -0.59 0.12 0.06 3.17 0.11 -0.33 -4.85 120.40 118.09 1sa3 s VAL 126 Ca 0.09 -0.97 -0.36 0.00 -2.93 0.00 0.00 61.98 57.82 1sa3 s VAL 126 Cb -0.10 -1.15 -0.15 0.00 -1.53 0.00 0.00 36.38 33.44 1sa3 s VAL 126 CO -0.01 -0.53 1.51 -1.20 -3.33 0.00 0.00 175.10 171.54 1sa3 n SER 127 N 0.21 2.37 -0.03 3.54 7.64 -1.26 -1.10 113.62 124.99 1sa3 n SER 127 Ca -0.17 1.09 0.01 0.00 1.01 0.00 0.00 58.87 60.81 1sa3 n SER 127 Cb 0.61 -1.28 -0.10 0.00 -1.01 0.00 0.00 64.21 62.43 1sa3 n SER 127 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1sa3 n ILE 128 N 3.25 0.37 0.00 0.44 -5.35 0.73 -4.85 119.36 113.96 1sa3 n ILE 128 Ca 0.19 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1sa3 n ILE 128 Cb 0.23 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1sa3 n ILE 128 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sa3 n ALA 129 N -2.18 0.00 -2.73 -1.28 0.00 -1.18 -4.94 120.51 108.21 1sa3 n ALA 129 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 1sa3 n ALA 129 Cb 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.89 1sa3 n ALA 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1sa3 s GLU 130 N -2.00 0.68 0.11 0.00 -1.05 -1.26 -0.83 118.70 114.35 1sa3 s GLU 130 Ca 0.00 -0.29 -0.13 0.00 -0.15 0.00 0.00 54.97 54.40 1sa3 s GLU 130 Cb 0.00 -0.66 0.02 0.00 -0.44 0.00 0.00 34.13 33.05 1sa3 s GLU 130 CO 0.00 0.17 0.31 0.71 0.95 0.00 0.00 175.26 177.40 1sa3 s TYR 131 N -0.15 -0.05 0.31 4.83 1.51 0.11 -4.98 117.35 118.92 1sa3 s TYR 131 Ca 0.03 -0.31 -0.13 0.00 -1.01 0.00 0.00 57.07 55.64 1sa3 s TYR 131 Cb -0.04 0.13 -0.08 0.00 -0.11 0.00 0.00 41.96 41.86 1sa3 s TYR 131 CO -0.00 -0.64 0.70 0.34 -1.11 0.00 0.00 175.55 174.84 1sa3 s ASP 132 N -2.83 6.71 0.26 2.29 2.15 -1.26 -1.55 116.67 122.44 1sa3 s ASP 132 Ca 0.04 1.18 -0.01 0.00 0.43 0.00 0.00 52.55 54.18 1sa3 s ASP 132 Cb 0.03 -2.33 0.53 0.00 -0.30 0.00 0.00 42.92 40.85 1sa3 s ASP 132 CO -0.12 -0.20 1.75 1.62 -0.17 0.00 0.00 175.17 178.05 1sa3 h VAL 133 N 1.87 0.68 -0.41 1.11 3.04 -1.94 -1.56 116.25 119.04 1sa3 h VAL 133 Ca -0.48 -0.19 -0.04 0.00 -1.01 0.00 0.00 66.70 64.99 1sa3 h VAL 133 Cb 1.17 0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 1sa3 h VAL 133 CO 0.66 0.10 0.09 -0.33 -1.01 0.00 0.00 177.57 177.08 1sa3 h GLU 134 N 0.55 0.61 -0.38 4.17 4.39 -1.97 -1.13 114.58 120.81 1sa3 h GLU 134 Ca 0.46 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.98 1sa3 h GLU 134 Cb 0.69 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1sa3 h GLU 134 CO -0.39 0.57 -0.01 1.15 -1.16 0.00 0.00 179.01 179.17 1sa3 h THR 135 N 0.60 1.26 0.18 1.13 2.02 -1.69 -1.12 112.91 115.29 1sa3 h THR 135 Ca 0.14 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1sa3 h THR 135 Cb 0.25 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1sa3 h THR 135 CO -0.00 0.34 -0.09 0.40 0.37 0.00 0.00 175.52 176.54 1sa3 h ILE 136 N 0.50 0.88 -1.00 3.11 2.04 -1.06 -1.21 117.51 120.78 1sa3 h ILE 136 Ca 0.11 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1sa3 h ILE 136 Cb 0.48 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 1sa3 h ILE 136 CO 0.02 0.07 0.65 0.00 0.00 0.00 0.00 178.15 178.89 1sa3 h THR 138 N 1.20 1.24 -0.25 0.00 2.02 -1.06 0.19 112.91 116.26 1sa3 h THR 138 Ca 0.42 -0.89 -0.15 0.00 0.77 0.00 0.00 66.41 66.57 1sa3 h THR 138 Cb 0.12 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1sa3 h THR 138 CO -0.16 0.30 -0.44 1.23 0.37 0.00 0.00 175.52 176.82 1sa3 h GLY 139 N 0.51 0.68 1.53 2.16 0.00 -0.51 -3.27 103.07 104.17 1sa3 h GLY 139 Ca 0.12 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 1sa3 h GLY 139 CO 0.01 0.64 -0.79 -2.08 0.00 0.00 0.00 176.54 174.32 1sa3 h VAL 140 N 0.50 0.50 0.00 4.60 2.07 -0.59 -3.38 116.25 119.95 1sa3 h VAL 140 Ca 0.03 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1sa3 h VAL 140 Cb 0.97 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1sa3 h VAL 140 CO 0.09 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.58 1sa3 n GLY 141 N 1.25 1.63 3.66 2.17 0.00 0.40 -4.89 105.19 109.42 1sa3 n GLY 141 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1sa3 n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sa3 s ILE 142 N -2.00 5.30 0.67 -0.61 1.01 0.29 -5.03 121.20 120.83 1sa3 s ILE 142 Ca 0.00 0.37 0.05 0.00 0.00 0.00 0.00 60.65 61.07 1sa3 s ILE 142 Cb 0.00 -3.58 0.12 0.00 0.01 0.00 0.00 42.46 39.01 1sa3 s ILE 142 CO 0.00 0.31 0.92 -1.54 0.00 0.00 0.00 174.94 174.63 1sa3 n SER 143 N 4.35 1.79 -4.63 3.58 3.41 -1.26 -4.41 113.62 116.44 1sa3 n SER 143 Ca -0.13 -2.38 -0.38 0.00 -0.26 0.00 0.00 58.87 55.72 1sa3 n SER 143 Cb 0.52 -0.54 0.05 0.00 -0.26 0.00 0.00 64.21 63.97 1sa3 n SER 143 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sa3 n ASP 144 N -2.60 1.08 0.00 4.04 8.00 -1.26 -4.37 116.55 121.44 1sa3 n ASP 144 Ca 0.17 0.86 0.00 0.00 0.71 0.00 0.00 54.79 56.53 1sa3 n ASP 144 Cb 0.61 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1sa3 n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sa3 n GLY 145 N 1.21 -0.11 0.35 0.44 0.00 -1.26 -4.89 105.19 100.93 1sa3 n GLY 145 Ca 0.13 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.52 1sa3 n GLY 145 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sa3 h GLU 146 N 3.95 1.22 0.28 1.61 4.81 -1.99 -1.69 114.58 122.76 1sa3 h GLU 146 Ca 0.00 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1sa3 h GLU 146 Cb 0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1sa3 h GLU 146 CO 0.00 0.88 -0.13 1.25 -0.73 0.00 0.00 179.01 180.27 1sa3 h LEU 147 N 1.22 -0.31 -0.73 1.64 5.85 -1.91 -1.15 115.31 119.92 1sa3 h LEU 147 Ca 0.31 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.02 1sa3 h LEU 147 Cb 0.00 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1sa3 h LEU 147 CO -0.05 -0.13 0.42 0.50 -0.34 0.00 0.00 178.44 178.84 1sa3 h LYS 148 N -0.49 0.74 -0.24 1.25 3.64 -1.72 -1.98 116.57 117.77 1sa3 h LYS 148 Ca -0.04 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1sa3 h LYS 148 Cb 0.36 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1sa3 h LYS 148 CO 0.06 0.49 -0.18 0.93 -2.27 0.00 0.00 179.45 178.48 1sa3 h GLU 149 N 0.76 0.43 -0.34 1.90 4.39 -1.13 0.93 114.58 121.53 1sa3 h GLU 149 Ca 0.32 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.73 1sa3 h GLU 149 Cb 0.19 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1sa3 h GLU 149 CO -0.18 0.60 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.79 1sa3 h LEU 150 N 0.39 0.89 -0.45 1.33 3.38 -0.75 0.14 115.31 120.25 1sa3 h LEU 150 Ca 0.07 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1sa3 h LEU 150 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1sa3 h LEU 150 CO 0.04 1.18 0.09 0.40 0.09 0.00 0.00 178.44 180.23 1sa3 h ILE 151 N 0.67 1.24 -0.49 1.22 2.04 -1.06 -2.10 117.51 119.04 1sa3 h ILE 151 Ca 0.05 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1sa3 h ILE 151 Cb 0.98 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1sa3 h ILE 151 CO 0.09 0.31 0.19 -0.09 0.00 0.00 0.00 178.15 178.65 1sa3 h ARG 152 N 0.60 0.70 -0.72 2.37 2.43 -0.50 -1.30 114.38 117.96 1sa3 h ARG 152 Ca 0.14 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1sa3 h ARG 152 Cb 0.36 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1sa3 h ARG 152 CO 0.01 0.58 0.36 -0.22 -1.51 0.00 0.00 179.97 179.18 1sa3 h LYS 153 N 0.69 1.04 -0.51 0.20 3.64 -0.32 0.85 116.57 122.15 1sa3 h LYS 153 Ca 0.17 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1sa3 h LYS 153 Cb 0.15 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1sa3 h LYS 153 CO -0.02 0.81 0.25 1.25 -2.27 0.00 0.00 179.45 179.47 1sa3 h HIS 154 N 1.01 0.74 -0.12 1.91 2.76 -0.69 0.10 115.15 120.86 1sa3 h HIS 154 Ca 0.25 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1sa3 h HIS 154 Cb 0.11 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1sa3 h HIS 154 CO 0.01 0.58 0.07 0.37 -1.30 0.00 0.00 177.93 177.66 1sa3 h GLN 155 N 0.69 0.17 -0.52 5.26 4.15 -0.69 0.54 115.11 124.70 1sa3 h GLN 155 Ca 0.18 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 1sa3 h GLN 155 Cb 0.12 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1sa3 h GLN 155 CO -0.02 0.16 0.04 -0.91 -1.93 0.00 0.00 178.83 176.18 1sa3 h ASN 156 N 0.13 0.80 1.85 -0.69 2.35 -0.58 -2.90 115.58 116.53 1sa3 h ASN 156 Ca 0.04 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1sa3 h ASN 156 Cb 0.04 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 1sa3 h ASN 156 CO -0.01 0.84 -0.16 0.44 -1.65 0.00 0.00 177.43 176.89 1sa3 h ASP 157 N 0.79 0.00 -0.18 5.81 3.32 -0.86 -3.48 116.42 121.83 1sa3 h ASP 157 Ca 0.16 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 1sa3 h ASP 157 Cb 0.41 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1sa3 h ASP 157 CO 0.01 0.02 -0.07 0.00 -1.72 0.00 0.00 179.24 177.48 1sa3 n GLN 158 N -3.05 -0.53 -3.01 3.56 6.02 0.16 -4.92 117.38 115.62 1sa3 n GLN 158 Ca 0.03 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1sa3 n GLN 158 Cb 0.54 -4.12 0.00 0.00 1.02 0.00 0.00 30.24 27.68 1sa3 n GLN 158 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1sa3 n SER 159 N 0.39 0.00 -1.14 1.08 3.41 -1.12 -4.18 113.62 112.06 1sa3 n SER 159 Ca -0.04 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.67 1sa3 n SER 159 Cb 0.19 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.41 1sa3 n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sa3 n ALA 160 N 0.00 2.45 0.23 7.33 0.00 -1.26 -4.55 120.51 124.71 1sa3 n ALA 160 Ca 0.00 -1.34 0.17 0.00 0.00 0.00 0.00 53.44 52.26 1sa3 n ALA 160 Cb 0.00 -0.77 0.86 0.00 0.00 0.00 0.00 19.45 19.54 1sa3 n ALA 160 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1sa3 h LYS 161 N 3.40 0.00 -0.01 0.00 2.10 -1.95 -1.72 116.57 118.40 1sa3 h LYS 161 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1sa3 h LYS 161 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1sa3 h LYS 161 CO 0.05 0.00 -0.43 1.28 -2.00 0.00 0.00 179.45 178.35 1sa3 n LEU 162 N -3.75 1.36 -4.78 7.07 4.77 -1.26 -4.92 117.00 115.49 1sa3 n LEU 162 Ca 0.00 -0.45 -0.36 0.00 -0.03 0.00 0.00 56.01 55.17 1sa3 n LEU 162 Cb 0.27 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1sa3 n LEU 162 CO 0.27 0.26 0.79 -0.36 -1.33 0.00 0.00 177.39 177.02 1sa3 s PHE 163 N -2.58 2.86 0.38 -1.77 0.40 -0.65 -5.03 117.98 111.59 1sa3 s PHE 163 Ca 0.19 1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 58.00 1sa3 s PHE 163 Cb 0.18 -3.29 -0.06 0.00 0.51 0.00 0.00 43.02 40.37 1sa3 s PHE 163 CO 0.59 -1.36 0.70 0.95 0.70 0.00 0.00 175.22 176.80 1sa3 s THR 164 N -1.68 4.88 0.38 0.64 -4.23 -1.26 -4.89 115.64 109.48 1sa3 s THR 164 Ca 0.66 0.37 0.17 0.00 -1.18 0.00 0.00 61.69 61.71 1sa3 s THR 164 Cb -0.25 -3.75 0.38 0.00 1.34 0.00 0.00 72.50 70.22 1sa3 s THR 164 CO 0.30 -0.50 1.75 -0.65 -0.54 0.00 0.00 174.62 174.98 1sa3 h PRO 165 N 1.25 0.41 0.20 3.99 0.11 -1.98 0.39 132.00 136.36 1sa3 h PRO 165 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1sa3 h PRO 165 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1sa3 h PRO 165 CO 0.64 0.27 -0.09 0.28 -0.21 0.00 0.00 178.00 178.89 1sa3 h VAL 166 N 0.42 0.85 -0.82 3.15 2.07 -1.99 -2.41 116.25 117.51 1sa3 h VAL 166 Ca 0.62 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 68.01 1sa3 h VAL 166 Cb 1.50 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.19 1sa3 h VAL 166 CO -0.35 0.05 0.54 1.56 0.02 0.00 0.00 177.57 179.39 1sa3 h GLN 167 N -0.36 0.82 -0.35 1.57 4.20 -1.32 0.13 115.11 119.79 1sa3 h GLN 167 Ca -0.03 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1sa3 h GLN 167 Cb 0.28 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1sa3 h GLN 167 CO 0.04 0.54 0.08 0.87 -0.67 0.00 0.00 178.83 179.70 1sa3 h LYS 168 N 0.84 0.57 -0.42 1.46 1.57 -1.19 0.14 116.57 119.53 1sa3 h LYS 168 Ca 0.37 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1sa3 h LYS 168 Cb 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1sa3 h LYS 168 CO -0.14 0.62 -0.07 1.96 -0.57 0.00 0.00 179.45 181.25 1sa3 h GLN 169 N 0.42 0.73 -0.63 3.15 4.20 -0.85 -2.24 115.11 119.89 1sa3 h GLN 169 Ca 0.11 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 1sa3 h GLN 169 Cb 0.31 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1sa3 h GLN 169 CO 0.00 0.79 0.06 -0.09 -0.67 0.00 0.00 178.83 178.93 1sa3 h ARG 170 N 0.67 1.08 -0.10 1.46 9.65 -0.38 -0.80 114.38 125.96 1sa3 h ARG 170 Ca 0.12 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.68 1sa3 h ARG 170 Cb 0.52 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1sa3 h ARG 170 CO 0.03 1.02 0.03 1.25 2.80 0.00 0.00 179.97 185.09 1sa3 h LEU 171 N 0.99 0.14 -0.83 3.80 5.85 -0.78 -1.43 115.31 123.05 1sa3 h LEU 171 Ca 0.19 -0.22 0.10 0.00 0.84 0.00 0.00 57.88 58.78 1sa3 h LEU 171 Cb 0.49 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1sa3 h LEU 171 CO 0.02 0.33 0.47 0.74 -0.34 0.00 0.00 178.44 179.66 1sa3 h THR 172 N -0.05 0.89 -0.06 1.05 2.02 -1.26 -0.75 112.91 114.76 1sa3 h THR 172 Ca 0.03 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1sa3 h THR 172 Cb 0.24 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1sa3 h THR 172 CO -0.00 0.14 0.02 -0.08 0.37 0.00 0.00 175.52 175.97 1sa3 h GLU 173 N 0.78 0.10 0.00 6.66 4.81 -0.91 -2.55 114.58 123.46 1sa3 h GLU 173 Ca 0.41 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1sa3 h GLU 173 Cb 0.39 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1sa3 h GLU 173 CO -0.26 0.25 -0.28 -0.07 -0.73 0.00 0.00 179.01 177.92 1sa3 h LEU 174 N -0.08 0.00 0.00 1.64 3.38 -0.81 -3.10 115.31 116.34 1sa3 h LEU 174 Ca 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1sa3 h LEU 174 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1sa3 h LEU 174 CO -0.00 0.28 -0.87 0.25 0.09 0.00 0.00 178.44 178.19 1sa3 h LEU 175 N 0.00 0.00 -0.83 1.67 5.85 -1.09 -3.38 115.31 117.53 1sa3 h LEU 175 Ca -0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1sa3 h LEU 175 Cb 0.74 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.61 1sa3 h LEU 175 CO 0.04 0.71 -0.18 1.21 -0.34 0.00 0.00 178.44 179.88 1sa3 n GLU 176 N -3.21 -0.07 0.27 1.25 0.00 -0.97 0.99 120.64 118.89 1sa3 n GLU 176 Ca -0.01 1.28 0.13 0.00 0.00 0.00 0.00 57.16 58.56 1sa3 n GLU 176 Cb 0.84 -1.93 0.75 0.00 0.00 0.00 0.00 31.44 31.09 1sa3 n GLU 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 1sa3 h PRO 177 N 0.00 0.00 -0.03 5.31 0.11 -1.80 -2.88 132.00 132.71 1sa3 h PRO 177 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1sa3 h PRO 177 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1sa3 h PRO 177 CO -0.84 0.10 -0.05 0.66 -0.21 0.00 0.00 178.00 177.66 1sa3 n TYR 178 N -3.67 0.00 -0.39 0.65 4.02 0.28 -4.72 117.16 113.33 1sa3 n TYR 178 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.78 1sa3 n TYR 178 Cb 0.22 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.46 1sa3 n TYR 178 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1sa3 n ARG 179 N 1.14 -0.39 -0.14 -0.72 1.74 -0.73 -0.06 116.66 117.51 1sa3 n ARG 179 Ca 0.13 1.42 -0.09 0.00 -0.77 0.00 0.00 57.85 58.54 1sa3 n ARG 179 Cb 0.56 -2.08 -0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1sa3 n ARG 179 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1sa3 h GLU 180 N 0.00 0.59 -0.68 5.56 5.08 -1.85 -1.63 114.58 121.65 1sa3 h GLU 180 Ca 0.17 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1sa3 h GLU 180 Cb 0.40 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1sa3 h GLU 180 CO -0.89 0.51 0.26 0.00 -1.00 0.00 0.00 179.01 177.90 1sa3 h ARG 181 N 0.52 1.02 -0.06 2.33 3.08 -1.61 -0.74 114.38 118.92 1sa3 h ARG 181 Ca 0.14 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1sa3 h ARG 181 Cb 0.11 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1sa3 h ARG 181 CO -0.02 0.86 -0.02 0.35 -1.07 0.00 0.00 179.97 180.07 1sa3 h PHE 182 N 0.97 -0.05 0.05 3.04 3.57 -0.23 0.57 116.94 124.87 1sa3 h PHE 182 Ca 0.23 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1sa3 h PHE 182 Cb 0.23 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1sa3 h PHE 182 CO 0.02 -0.04 -0.02 0.82 -2.23 0.00 0.00 178.31 176.86 1sa3 h ILE 183 N -0.01 1.11 -0.79 1.41 2.04 -1.15 -1.36 117.51 118.77 1sa3 h ILE 183 Ca 0.03 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1sa3 h ILE 183 Cb 0.06 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1sa3 h ILE 183 CO -0.07 0.14 0.51 -0.09 0.00 0.00 0.00 178.15 178.64 1sa3 h ARG 184 N -0.31 0.99 -0.48 2.37 2.43 -1.07 -2.42 114.38 115.90 1sa3 h ARG 184 Ca -0.01 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1sa3 h ARG 184 Cb 0.28 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1sa3 h ARG 184 CO 0.01 0.66 -0.22 2.35 -1.51 0.00 0.00 179.97 181.26 1sa3 h TRP 185 N 1.02 1.14 -0.90 2.20 7.01 -0.83 -0.33 115.95 125.26 1sa3 h TRP 185 Ca 0.31 -0.28 0.02 0.00 2.11 0.00 0.00 58.89 61.05 1sa3 h TRP 185 Cb -0.04 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 26.70 1sa3 h TRP 185 CO -0.02 1.10 0.59 0.00 -2.79 0.00 0.00 178.44 177.32 1sa3 n VAL 187 N -4.47 0.10 0.00 0.00 0.24 -0.94 -4.56 118.33 108.70 1sa3 n VAL 187 Ca 0.10 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1sa3 n VAL 187 Cb 0.03 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 1sa3 n VAL 187 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sa3 n THR 188 N -1.77 0.00 -1.13 3.34 -2.24 -0.14 -4.81 114.28 107.52 1sa3 n THR 188 Ca 0.03 -0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 61.62 1sa3 n THR 188 Cb 0.39 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 1sa3 n THR 188 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sa3 n LEU 189 N -0.84 -0.32 -3.72 3.22 4.77 0.12 -4.59 117.00 115.64 1sa3 n LEU 189 Ca 0.00 0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.95 1sa3 n LEU 189 Cb 0.00 -1.05 -0.15 0.00 -2.33 0.00 0.00 43.42 39.90 1sa3 n LEU 189 CO 0.00 -0.25 -0.22 -0.60 -1.33 0.00 0.00 177.39 174.98 1sa3 s ARG 190 N -2.30 0.08 0.22 3.23 3.52 -1.26 -4.97 118.95 117.48 1sa3 s ARG 190 Ca 0.00 0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 56.04 1sa3 s ARG 190 Cb 0.00 -0.20 0.20 0.00 -1.56 0.00 0.00 34.95 33.39 1sa3 s ARG 190 CO 0.00 -0.22 1.58 0.00 -0.81 0.00 0.00 175.30 175.86 1sa3 h ALA 191 N 7.63 0.83 -1.96 6.12 0.00 -1.83 -3.14 119.26 126.92 1sa3 h ALA 191 Ca -0.33 -0.45 -0.45 0.00 0.00 0.00 0.00 54.91 53.68 1sa3 h ALA 191 Cb 1.13 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.84 1sa3 h ALA 191 CO 0.32 0.65 -0.19 -1.21 0.00 0.00 0.00 179.25 178.82 1sa3 s GLU 192 N -4.20 3.08 0.46 0.00 0.41 -1.26 -4.54 118.70 112.64 1sa3 s GLU 192 Ca -0.07 -0.70 -0.25 0.00 -0.41 0.00 0.00 54.97 53.54 1sa3 s GLU 192 Cb 0.12 -2.66 -0.08 0.00 -1.78 0.00 0.00 34.13 29.73 1sa3 s GLU 192 CO 0.82 -0.14 1.37 0.15 -0.49 0.00 0.00 175.26 176.98 1sa3 s LYS 193 N -4.41 3.65 0.05 1.61 1.02 -1.26 -5.00 119.74 115.40 1sa3 s LYS 193 Ca 0.47 2.30 0.02 0.00 0.02 0.00 0.00 55.97 58.78 1sa3 s LYS 193 Cb -0.10 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1sa3 s LYS 193 CO 0.35 -0.80 -0.08 0.45 -0.92 0.00 0.00 175.35 174.35 1sa3 s SER 194 N -0.68 0.94 -0.17 2.83 0.15 -1.26 -5.16 113.70 110.35 1sa3 s SER 194 Ca 0.62 -0.61 -0.09 0.00 0.70 0.00 0.00 55.95 56.57 1sa3 s SER 194 Cb -0.41 0.04 0.06 0.00 -1.71 0.00 0.00 66.02 64.00 1sa3 s SER 194 CO 0.52 -0.23 0.41 -0.70 1.20 0.00 0.00 173.24 174.45 1sa3 s GLU 195 N -1.86 0.39 -0.02 5.44 2.12 -1.26 -4.90 118.70 118.62 1sa3 s GLU 195 Ca -0.07 0.80 0.00 0.00 0.36 0.00 0.00 54.97 56.06 1sa3 s GLU 195 Cb -0.08 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.30 1sa3 s GLU 195 CO -0.00 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1sa3 n GLY 196 N 4.31 0.25 3.58 -1.50 0.00 -1.25 -4.98 105.19 105.60 1sa3 n GLY 196 Ca -0.23 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1sa3 n GLY 196 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sa3 s ASN 197 N -2.01 6.26 0.64 1.61 3.84 -1.26 -4.77 114.94 119.24 1sa3 s ASN 197 Ca 0.00 0.11 0.35 0.00 0.21 0.00 0.00 52.86 53.53 1sa3 s ASN 197 Cb 0.00 -2.23 1.97 0.00 -0.55 0.00 0.00 41.25 40.44 1sa3 s ASN 197 CO 0.00 -0.30 2.18 -0.29 -2.79 0.00 0.00 177.10 175.91 1sa3 h ILE 198 N 5.48 0.20 0.00 -5.21 2.10 -1.95 -1.28 117.51 116.84 1sa3 h ILE 198 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1sa3 h ILE 198 Cb 1.15 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 1sa3 h ILE 198 CO 0.69 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.94 1sa3 n LEU 199 N -3.34 0.60 -3.80 2.19 4.77 -1.26 -4.65 117.00 111.51 1sa3 n LEU 199 Ca -0.01 0.58 -0.24 0.00 -0.03 0.00 0.00 56.01 56.31 1sa3 n LEU 199 Cb 0.21 -0.43 -0.17 0.00 -2.33 0.00 0.00 43.42 40.70 1sa3 n LEU 199 CO 0.22 -0.27 -0.40 -1.00 -1.33 0.00 0.00 177.39 174.61 1sa3 s HIS 200 N -3.14 0.92 0.41 -1.77 3.76 -0.48 -4.15 115.29 110.83 1sa3 s HIS 200 Ca 0.09 -0.39 -0.27 0.00 -0.15 0.00 0.00 55.06 54.35 1sa3 s HIS 200 Cb 0.12 -0.94 -0.10 0.00 1.11 0.00 0.00 32.58 32.78 1sa3 s HIS 200 CO 0.51 -0.40 1.45 -2.30 -0.85 0.00 0.00 174.74 173.14 1sa3 n PRO 201 N 5.08 2.44 -0.03 8.40 -0.02 -1.26 -4.54 135.00 145.07 1sa3 n PRO 201 Ca -0.09 0.86 0.05 0.00 -2.02 0.00 0.00 63.50 62.31 1sa3 n PRO 201 Cb 0.50 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.18 1sa3 n PRO 201 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1sa3 n ASP 202 N 0.18 0.06 -4.06 2.55 8.00 0.47 -4.90 116.55 118.86 1sa3 n ASP 202 Ca 0.03 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.35 1sa3 n ASP 202 Cb 0.40 1.72 -0.14 0.00 -0.02 0.00 0.00 41.12 43.07 1sa3 n ASP 202 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sa3 s LEU 203 N -4.76 2.07 -0.28 0.64 1.43 -1.17 -2.47 118.68 114.15 1sa3 s LEU 203 Ca -0.08 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1sa3 s LEU 203 Cb 0.12 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.88 1sa3 s LEU 203 CO 0.88 0.07 0.01 -0.76 0.23 0.00 0.00 176.35 176.77 1sa3 s LEU 204 N -0.55 3.58 -0.23 1.79 1.43 0.00 -1.98 118.68 122.72 1sa3 s LEU 204 Ca 0.02 -0.88 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 1sa3 s LEU 204 Cb -0.05 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1sa3 s LEU 204 CO 0.00 -0.18 0.11 -0.63 0.23 0.00 0.00 176.35 175.88 1sa3 s ILE 205 N 1.38 4.83 -0.24 -0.59 1.01 -0.21 -1.73 121.20 125.65 1sa3 s ILE 205 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1sa3 s ILE 205 Cb -0.17 -3.25 0.06 0.00 0.01 0.00 0.00 42.46 39.11 1sa3 s ILE 205 CO -0.01 0.36 -0.06 -0.13 0.00 0.00 0.00 174.94 175.09 1sa3 s ARG 206 N 1.20 1.73 -0.12 2.79 1.81 0.42 -1.86 118.95 124.92 1sa3 s ARG 206 Ca 0.06 -1.07 -0.21 0.00 -1.72 0.00 0.00 55.73 52.78 1sa3 s ARG 206 Cb -0.14 -2.65 -0.04 0.00 -0.45 0.00 0.00 34.95 31.67 1sa3 s ARG 206 CO 0.04 -0.60 0.62 -0.06 -0.68 0.00 0.00 175.30 174.62 1sa3 s PHE 207 N 1.33 3.51 -0.33 -0.53 0.40 -0.48 -1.13 117.98 120.75 1sa3 s PHE 207 Ca -0.06 1.06 -0.19 0.00 -0.60 0.00 0.00 56.93 57.14 1sa3 s PHE 207 Cb -0.19 -2.73 -0.01 0.00 0.51 0.00 0.00 43.02 40.60 1sa3 s PHE 207 CO -0.06 0.04 0.55 -1.14 0.70 0.00 0.00 175.22 175.31 1sa3 s GLN 208 N 1.03 3.73 -0.13 0.44 0.74 0.10 -1.67 119.66 123.91 1sa3 s GLN 208 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.73 1sa3 s GLN 208 Cb -0.16 -3.77 0.02 0.00 1.10 0.00 0.00 33.01 30.19 1sa3 s GLN 208 CO 0.14 -0.61 -0.11 0.08 -0.55 0.00 0.00 175.29 174.24 1sa3 s VAL 209 N 2.46 1.30 -0.07 1.34 1.01 0.34 -0.58 120.40 126.20 1sa3 s VAL 209 Ca 0.21 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1sa3 s VAL 209 Cb -0.15 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1sa3 s VAL 209 CO 0.13 0.41 -0.21 -0.63 0.00 0.00 0.00 175.10 174.80 1sa3 s ILE 210 N 1.57 1.77 -1.47 2.22 1.01 -0.49 -3.35 121.20 122.46 1sa3 s ILE 210 Ca 0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 1sa3 s ILE 210 Cb -0.13 -1.52 0.06 0.00 0.01 0.00 0.00 42.46 40.88 1sa3 s ILE 210 CO -0.09 0.50 0.91 0.47 0.00 0.00 0.00 174.94 176.72 1sa3 n ASP 211 N 3.26 -3.81 0.00 3.58 8.00 -1.26 -1.38 116.55 124.94 1sa3 n ASP 211 Ca -0.19 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1sa3 n ASP 211 Cb 0.52 -3.95 0.00 0.00 -0.02 0.00 0.00 41.12 37.67 1sa3 n ASP 211 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1sa3 n ARG 212 N -4.58 0.00 -4.14 -1.24 1.74 -1.26 -5.00 116.66 102.17 1sa3 n ARG 212 Ca -0.06 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.72 1sa3 n ARG 212 Cb 0.57 -2.65 -0.08 0.00 -1.02 0.00 0.00 32.46 29.28 1sa3 n ARG 212 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1sa3 s GLU 213 N -0.13 2.49 0.30 5.56 0.41 -0.48 -5.08 118.70 121.77 1sa3 s GLU 213 Ca 0.00 -0.87 -0.30 0.00 -0.41 0.00 0.00 54.97 53.39 1sa3 s GLU 213 Cb 0.00 -2.50 -0.11 0.00 -1.78 0.00 0.00 34.13 29.73 1sa3 s GLU 213 CO 0.00 0.53 1.56 -0.47 -0.49 0.00 0.00 175.26 176.39 1sa3 s TYR 214 N -1.31 2.76 -0.01 1.61 5.04 -1.26 -1.40 117.35 122.77 1sa3 s TYR 214 Ca 0.25 0.88 -0.02 0.00 -2.44 0.00 0.00 57.07 55.74 1sa3 s TYR 214 Cb -0.12 -4.03 -0.01 0.00 0.35 0.00 0.00 41.96 38.15 1sa3 s TYR 214 CO 0.18 -3.38 -0.04 0.28 -1.34 0.00 0.00 175.55 171.25 1sa3 n VAL 215 N 1.89 0.40 -3.87 3.14 0.31 0.25 -4.17 118.33 116.29 1sa3 n VAL 215 Ca 0.07 0.05 -0.03 0.00 -0.01 0.00 0.00 64.34 64.42 1sa3 n VAL 215 Cb 0.38 -1.57 0.02 0.00 -0.91 0.00 0.00 33.84 31.76 1sa3 n VAL 215 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1sa3 n ASP 216 N -3.23 -1.68 -3.91 4.52 -0.08 -1.16 -4.92 116.55 106.08 1sa3 n ASP 216 Ca -0.05 -1.91 -0.10 0.00 -1.51 0.00 0.00 54.79 51.22 1sa3 n ASP 216 Cb 0.43 2.74 -0.10 0.00 2.34 0.00 0.00 41.12 46.54 1sa3 n ASP 216 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1sa3 s VAL 217 N -2.09 0.09 -0.05 5.18 0.11 -1.26 -0.72 120.40 121.66 1sa3 s VAL 217 Ca 0.21 -0.76 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 1sa3 s VAL 217 Cb -0.03 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 1sa3 s VAL 217 CO 0.06 -0.42 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.41 1sa3 s THR 218 N -1.41 0.99 -0.14 5.04 2.01 -0.28 -4.99 115.64 116.86 1sa3 s THR 218 Ca -0.15 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 1sa3 s THR 218 Cb -0.08 -0.90 0.04 0.00 0.01 0.00 0.00 72.50 71.56 1sa3 s THR 218 CO 0.01 0.31 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.57 1sa3 s ILE 219 N 0.49 0.96 -0.03 1.82 1.01 -1.26 -0.44 121.20 123.76 1sa3 s ILE 219 Ca -0.10 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1sa3 s ILE 219 Cb -0.13 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 1sa3 s ILE 219 CO 0.02 0.18 -0.21 -0.54 0.00 0.00 0.00 174.94 174.39 1sa3 s LYS 220 N 1.71 1.91 0.78 2.79 -0.14 -0.70 -4.75 119.74 121.32 1sa3 s LYS 220 Ca 0.02 -0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 53.75 1sa3 s LYS 220 Cb -0.14 -1.75 0.06 0.00 -1.68 0.00 0.00 37.83 34.31 1sa3 s LYS 220 CO -0.08 0.40 1.10 0.54 -0.76 0.00 0.00 175.35 176.56 1sa3 s ASN 221 N -0.33 4.74 0.19 2.83 2.20 -1.26 -0.82 114.94 122.50 1sa3 s ASN 221 Ca 0.04 1.20 -0.12 0.00 -0.94 0.00 0.00 52.86 53.04 1sa3 s ASN 221 Cb -0.10 -1.93 0.12 0.00 -2.00 0.00 0.00 41.25 37.33 1sa3 s ASN 221 CO 0.01 -1.80 1.86 0.40 -2.94 0.00 0.00 177.10 174.63 1sa3 h ILE 222 N -0.97 1.17 -0.29 0.54 1.08 -1.83 -1.81 117.51 115.40 1sa3 h ILE 222 Ca -0.46 -0.32 0.06 0.00 -0.39 0.00 0.00 64.86 63.74 1sa3 h ILE 222 Cb 1.27 0.20 -0.06 0.00 -3.07 0.00 0.00 36.82 35.17 1sa3 h ILE 222 CO 0.61 0.17 -0.08 0.44 -0.69 0.00 0.00 178.15 178.60 1sa3 h ASP 223 N 0.90 -0.30 -0.53 1.72 3.32 -1.93 -0.76 116.42 118.83 1sa3 h ASP 223 Ca 0.24 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 1sa3 h ASP 223 Cb -0.10 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1sa3 h ASP 223 CO -0.05 -0.11 0.02 0.44 -1.72 0.00 0.00 179.24 177.82 1sa3 h ASP 224 N -0.02 0.94 -0.34 6.45 3.32 -1.89 -1.44 116.42 123.44 1sa3 h ASP 224 Ca 0.14 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1sa3 h ASP 224 Cb 0.23 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1sa3 h ASP 224 CO -0.31 0.99 0.21 0.22 -1.72 0.00 0.00 179.24 178.63 1sa3 h TYR 225 N 0.90 0.45 -0.21 4.55 3.20 -0.87 0.03 116.97 125.02 1sa3 h TYR 225 Ca 0.17 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.04 1sa3 h TYR 225 Cb 0.50 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1sa3 h TYR 225 CO 0.03 0.33 0.12 0.28 -1.64 0.00 0.00 178.16 177.28 1sa3 h VAL 226 N 0.45 1.03 -0.72 1.81 2.07 -0.93 -0.99 116.25 118.95 1sa3 h VAL 226 Ca 0.12 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1sa3 h VAL 226 Cb 0.01 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1sa3 h VAL 226 CO -0.02 0.05 0.41 0.28 0.02 0.00 0.00 177.57 178.30 1sa3 h SER 227 N 0.25 0.61 -0.32 0.57 0.02 -0.95 0.10 113.55 113.84 1sa3 h SER 227 Ca 0.08 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1sa3 h SER 227 Cb -0.01 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1sa3 h SER 227 CO -0.03 0.39 0.18 0.44 -1.14 0.00 0.00 176.83 176.66 1sa3 h ASP 228 N 0.75 0.39 -0.55 3.07 3.32 -0.48 -0.69 116.42 122.23 1sa3 h ASP 228 Ca 0.33 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1sa3 h ASP 228 Cb 0.21 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1sa3 h ASP 228 CO -0.19 0.35 0.16 0.03 -1.72 0.00 0.00 179.24 177.87 1sa3 h ARG 229 N 0.40 0.86 -0.74 3.56 2.47 -0.65 -1.27 114.38 119.01 1sa3 h ARG 229 Ca 0.11 -0.19 0.01 0.00 -1.26 0.00 0.00 59.98 58.65 1sa3 h ARG 229 Cb 0.04 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.20 1sa3 h ARG 229 CO -0.02 0.79 0.49 0.82 0.56 0.00 0.00 179.97 182.61 1sa3 h ILE 230 N 0.76 1.18 -0.23 2.04 1.08 -0.60 0.30 117.51 122.04 1sa3 h ILE 230 Ca 0.17 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 1sa3 h ILE 230 Cb 0.30 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 1sa3 h ILE 230 CO -0.00 0.18 0.08 0.00 -0.69 0.00 0.00 178.15 177.72 1sa3 h ALA 231 N 1.27 0.30 -0.87 1.87 0.00 -0.92 -1.14 119.26 119.78 1sa3 h ALA 231 Ca 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1sa3 h ALA 231 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1sa3 h ALA 231 CO -0.06 -0.09 0.51 1.49 0.00 0.00 0.00 179.25 181.10 1sa3 h GLU 232 N 0.21 1.20 0.00 0.00 4.81 -0.80 -2.24 114.58 117.75 1sa3 h GLU 232 Ca 0.08 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1sa3 h GLU 232 Cb 0.21 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1sa3 h GLU 232 CO -0.00 0.86 0.00 0.41 -0.73 0.00 0.00 179.01 179.54 1sa3 n GLY 233 N -1.18 -1.50 0.16 1.92 0.00 0.10 -3.27 105.19 101.43 1sa3 n GLY 233 Ca 0.09 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1sa3 n GLY 233 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sa3 h SER 234 N 0.00 0.00 -3.04 1.61 0.02 -0.57 -3.35 113.55 108.21 1sa3 h SER 234 Ca 0.00 -0.02 -0.45 0.00 -0.84 0.00 0.00 61.79 60.48 1sa3 h SER 234 Cb 0.56 0.00 0.22 0.00 0.14 0.00 0.00 62.40 63.32 1sa3 h SER 234 CO 0.00 0.01 -0.31 0.29 -1.14 0.00 0.00 176.83 175.68 1sa3 n LYS 235 N -2.79 -2.05 -0.29 3.45 4.76 -1.20 -4.74 118.16 115.28 1sa3 n LYS 235 Ca 0.03 -0.57 0.12 0.00 -2.87 0.00 0.00 58.31 55.02 1sa3 n LYS 235 Cb 0.52 -2.04 0.28 0.00 -1.84 0.00 0.00 35.03 31.95 1sa3 n LYS 235 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sa3 h ALA 236 N -2.44 1.27 0.00 7.82 0.00 -1.91 0.85 119.26 124.86 1sa3 h ALA 236 Ca -0.58 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1sa3 h ALA 236 Cb 1.33 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1sa3 h ALA 236 CO 0.45 -0.44 0.00 -0.09 0.00 0.00 0.00 179.25 179.18 1sa3 h ARG 237 N 0.25 0.00 -6.09 0.00 9.65 -1.92 -3.47 114.38 112.79 1sa3 h ARG 237 Ca 0.54 0.00 -0.41 0.00 -1.10 0.00 0.00 59.98 59.01 1sa3 h ARG 237 Cb 1.07 0.00 0.07 0.00 -1.39 0.00 0.00 29.97 29.71 1sa3 h ARG 237 CO -0.62 0.00 -0.86 1.63 2.80 0.00 0.00 179.97 182.92 1sa3 n LYS 238 N -2.72 -3.63 -1.57 0.20 4.01 0.29 -4.86 118.16 109.88 1sa3 n LYS 238 Ca 0.01 0.59 -0.45 0.00 -0.51 0.00 0.00 58.31 57.95 1sa3 n LYS 238 Cb 0.26 -4.94 -0.02 0.00 -0.51 0.00 0.00 35.03 29.83 1sa3 n LYS 238 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1sa3 n PRO 239 N -4.16 1.21 -3.24 1.97 -0.02 -1.26 -1.66 135.00 127.85 1sa3 n PRO 239 Ca -0.23 0.42 -0.23 0.00 -2.02 0.00 0.00 63.50 61.44 1sa3 n PRO 239 Cb 0.65 -1.76 0.02 0.00 -0.02 0.00 0.00 33.50 32.40 1sa3 n PRO 239 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sa3 n GLY 240 N 1.31 -0.51 3.60 -1.23 0.00 -1.16 -1.25 105.19 105.95 1sa3 n GLY 240 Ca 0.10 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1sa3 n GLY 240 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sa3 n PHE 241 N -4.33 -2.28 0.00 1.61 3.72 -0.66 -1.35 117.46 114.17 1sa3 n PHE 241 Ca -0.06 0.79 0.00 0.00 -0.05 0.00 0.00 57.45 58.13 1sa3 n PHE 241 Cb 0.58 -4.12 0.00 0.00 -0.94 0.00 0.00 39.48 35.00 1sa3 n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sa3 n GLY 242 N -1.65 1.40 0.19 1.37 0.00 -0.38 -4.51 105.19 101.62 1sa3 n GLY 242 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1sa3 n GLY 242 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sa3 h THR 243 N 0.00 0.00 0.00 2.61 1.35 -1.08 -3.40 112.91 112.40 1sa3 h THR 243 Ca 0.00 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1sa3 h THR 243 Cb 0.00 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1sa3 h THR 243 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1sa3 n GLY 244 N 1.12 1.20 3.93 5.82 0.00 -0.70 -4.29 105.19 112.28 1sa3 n GLY 244 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1sa3 n GLY 244 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sa3 s LEU 245 N 0.00 4.21 -0.29 0.99 1.43 -1.26 -4.84 118.68 118.91 1sa3 s LEU 245 Ca 0.00 0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 53.33 1sa3 s LEU 245 Cb 0.00 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1sa3 s LEU 245 CO 0.00 -0.08 0.34 0.20 0.23 0.00 0.00 176.35 177.05 1sa3 s ASN 246 N -3.35 6.19 -0.15 2.29 -0.87 -0.08 -3.01 114.94 115.97 1sa3 s ASN 246 Ca 0.38 0.08 -0.21 0.00 -1.57 0.00 0.00 52.86 51.54 1sa3 s ASN 246 Cb -0.11 -2.19 -0.03 0.00 -0.02 0.00 0.00 41.25 38.90 1sa3 s ASN 246 CO 0.30 -0.21 0.62 0.26 -2.57 0.00 0.00 177.10 175.50 1sa3 s TRP 247 N 2.01 3.45 0.00 2.20 0.52 -1.26 -1.14 118.94 124.72 1sa3 s TRP 247 Ca 0.13 1.01 0.00 0.00 0.02 0.00 0.00 56.10 57.26 1sa3 s TRP 247 Cb -0.16 -2.75 0.00 0.00 -1.15 0.00 0.00 33.47 29.40 1sa3 s TRP 247 CO 0.11 -0.04 0.00 -2.37 0.02 0.00 0.00 176.95 174.67 1sa3 n THR 248 N 4.26 0.00 -4.37 2.01 5.66 -0.03 -4.92 114.28 116.88 1sa3 n THR 248 Ca -0.02 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.71 1sa3 n THR 248 Cb 0.50 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.16 1sa3 n THR 248 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1sa3 s TYR 249 N -1.64 2.14 -0.13 1.09 1.13 -1.26 -1.29 117.35 117.39 1sa3 s TYR 249 Ca 0.00 -0.39 -0.21 0.00 -1.41 0.00 0.00 57.07 55.05 1sa3 s TYR 249 Cb 0.00 -1.11 -0.03 0.00 -1.10 0.00 0.00 41.96 39.72 1sa3 s TYR 249 CO 0.00 0.37 0.63 0.00 -2.51 0.00 0.00 175.55 174.04 1sa3 s ALA 250 N -1.44 3.45 -1.43 9.51 0.00 -0.52 -4.60 121.76 126.72 1sa3 s ALA 250 Ca 0.15 -0.08 0.24 0.00 0.00 0.00 0.00 51.96 52.27 1sa3 s ALA 250 Cb -0.09 -2.91 0.35 0.00 0.00 0.00 0.00 23.12 20.47 1sa3 s ALA 250 CO 0.07 -0.26 1.30 -1.13 0.00 0.00 0.00 175.76 175.74 1sa3 n SER 251 N 4.26 1.04 0.26 0.00 3.41 -1.26 -4.54 113.62 116.79 1sa3 n SER 251 Ca -0.02 -0.83 0.09 0.00 -0.26 0.00 0.00 58.87 57.84 1sa3 n SER 251 Cb 0.51 0.40 0.66 0.00 -0.26 0.00 0.00 64.21 65.52 1sa3 n SER 251 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1sa3 h GLY 252 N 4.95 0.00 -1.47 5.00 0.00 -1.95 -3.46 103.07 106.13 1sa3 h GLY 252 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1sa3 h GLY 252 CO 0.00 0.00 -0.56 -0.56 0.00 0.00 0.00 176.54 175.42 1sa3 s SER 253 N -6.83 2.99 0.17 0.19 0.01 -1.26 -5.05 113.70 103.92 1sa3 s SER 253 Ca -0.05 -1.51 -0.07 0.00 1.31 0.00 0.00 55.95 55.63 1sa3 s SER 253 Cb 0.16 0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.60 1sa3 s SER 253 CO 0.65 -0.72 1.52 0.11 0.41 0.00 0.00 173.24 175.20 1sa3 h LYS 254 N 1.85 0.79 -6.96 12.44 1.57 -1.96 -3.45 116.57 120.84 1sa3 h LYS 254 Ca -0.40 -0.41 -0.50 0.00 -1.87 0.00 0.00 60.65 57.47 1sa3 h LYS 254 Cb 1.26 0.01 0.04 0.00 0.08 0.00 0.00 32.23 33.63 1sa3 h LYS 254 CO 0.68 1.04 0.46 0.00 -0.57 0.00 0.00 179.45 181.07 1sa3 s ALA 255 N -4.32 3.09 0.24 3.86 0.00 -1.26 -4.97 121.76 118.40 1sa3 s ALA 255 Ca -0.10 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 1sa3 s ALA 255 Cb 0.12 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 1sa3 s ALA 255 CO 0.86 -0.43 1.50 0.15 0.00 0.00 0.00 175.76 177.83 1sa3 s LYS 256 N -2.45 4.23 -0.10 0.00 -0.14 -1.26 -4.98 119.74 115.04 1sa3 s LYS 256 Ca 0.59 2.37 -0.18 0.00 -1.36 0.00 0.00 55.97 57.39 1sa3 s LYS 256 Cb -0.27 -3.10 0.04 0.00 -1.68 0.00 0.00 37.83 32.82 1sa3 s LYS 256 CO 0.34 -0.50 0.43 0.21 -0.76 0.00 0.00 175.35 175.07 1sa3 s LYS 257 N -0.06 0.65 0.32 1.68 2.20 -1.26 -4.94 119.74 118.33 1sa3 s LYS 257 Ca 0.62 0.29 -0.13 0.00 -0.36 0.00 0.00 55.97 56.39 1sa3 s LYS 257 Cb -0.43 0.30 -0.08 0.00 -1.51 0.00 0.00 37.83 36.11 1sa3 s LYS 257 CO 0.41 -0.14 0.70 -1.64 -0.36 0.00 0.00 175.35 174.33 1sa3 s MET 258 N -0.51 3.93 0.01 4.03 -1.94 -0.60 -1.44 119.30 122.79 1sa3 s MET 258 Ca -0.06 0.56 0.03 0.00 -1.71 0.00 0.00 55.69 54.51 1sa3 s MET 258 Cb -0.03 -2.47 -0.01 0.00 2.01 0.00 0.00 34.83 34.33 1sa3 s MET 258 CO 0.03 0.16 -0.10 -1.14 -0.01 0.00 0.00 175.02 173.96 1sa3 s GLN 259 N -3.08 0.71 -0.04 2.03 0.74 -0.41 -0.71 119.66 118.89 1sa3 s GLN 259 Ca 0.52 -0.47 0.05 0.00 0.05 0.00 0.00 55.36 55.51 1sa3 s GLN 259 Cb -0.10 -0.67 -0.01 0.00 1.10 0.00 0.00 33.01 33.33 1sa3 s GLN 259 CO 0.20 0.17 -0.19 -0.06 -0.55 0.00 0.00 175.29 174.86 1sa3 s PHE 260 N -0.52 1.88 0.03 1.67 0.40 -0.01 -0.85 117.98 120.58 1sa3 s PHE 260 Ca 0.01 -0.52 0.04 0.00 -0.60 0.00 0.00 56.93 55.86 1sa3 s PHE 260 Cb -0.05 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 1sa3 s PHE 260 CO 0.00 -0.16 -0.09 0.15 0.70 0.00 0.00 175.22 175.82 1sa3 s LYS 261 N -0.06 2.42 0.00 0.44 1.02 -0.29 -0.19 119.74 123.07 1sa3 s LYS 261 Ca -0.03 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1sa3 s LYS 261 Cb -0.12 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1sa3 s LYS 261 CO 0.02 0.58 0.00 0.41 -0.92 0.00 0.00 175.35 175.44