#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa3 n ARG 2 N 0.00 2.45 -0.23 2.12 1.74 -1.26 -4.92 116.66 116.56 1sa3 n ARG 2 Ca 0.00 -2.90 -0.21 0.00 -0.77 0.00 0.00 57.85 53.97 1sa3 n ARG 2 Cb 0.00 -3.61 0.21 0.00 -1.02 0.00 0.00 32.46 28.04 1sa3 n ARG 2 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1sa3 n THR 3 N 7.04 0.00 -0.22 0.55 -2.24 -1.26 -4.32 114.28 113.82 1sa3 n THR 3 Ca 0.47 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 62.18 1sa3 n THR 3 Cb 0.46 -0.69 0.04 0.00 -2.10 0.00 0.00 70.33 68.04 1sa3 n THR 3 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1sa3 h GLU 4 N 0.00 0.88 0.08 -0.78 4.81 -1.99 0.71 114.58 118.29 1sa3 h GLU 4 Ca -0.28 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1sa3 h GLU 4 Cb 0.93 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1sa3 h GLU 4 CO 0.17 0.69 -0.04 1.25 -0.73 0.00 0.00 179.01 180.35 1sa3 h LEU 5 N 0.85 -0.09 -1.07 1.64 5.85 -1.98 -2.80 115.31 117.71 1sa3 h LEU 5 Ca 0.22 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1sa3 h LEU 5 Cb 0.08 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1sa3 h LEU 5 CO -0.03 0.40 0.63 -0.07 -0.34 0.00 0.00 178.44 179.03 1sa3 h LEU 6 N -0.62 1.07 -0.68 2.25 3.38 -1.86 -0.93 115.31 117.92 1sa3 h LEU 6 Ca -0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1sa3 h LEU 6 Cb 0.51 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1sa3 h LEU 6 CO 0.02 0.75 0.44 -1.28 0.09 0.00 0.00 178.44 178.46 1sa3 h SER 7 N 1.25 0.75 0.13 -0.43 0.87 -0.90 0.13 113.55 115.36 1sa3 h SER 7 Ca 0.37 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 1sa3 h SER 7 Cb -0.07 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1sa3 h SER 7 CO -0.10 0.54 -0.06 0.50 -0.53 0.00 0.00 176.83 177.18 1sa3 h LYS 8 N 0.89 -0.17 -0.35 2.24 3.64 -1.08 -2.05 116.57 119.69 1sa3 h LYS 8 Ca 0.26 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1sa3 h LYS 8 Cb -0.06 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1sa3 h LYS 8 CO -0.07 -0.07 0.15 -0.07 -2.27 0.00 0.00 179.45 177.12 1sa3 h LEU 9 N -0.23 0.19 -1.70 5.20 3.38 -0.70 0.21 115.31 121.66 1sa3 h LEU 9 Ca -0.02 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1sa3 h LEU 9 Cb 0.18 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1sa3 h LEU 9 CO 0.03 0.15 0.28 1.88 0.09 0.00 0.00 178.44 180.87 1sa3 h TYR 10 N 0.31 0.38 -0.01 1.13 -1.99 -0.66 -0.48 116.97 115.66 1sa3 h TYR 10 Ca 0.15 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.89 1sa3 h TYR 10 Cb 0.10 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1sa3 h TYR 10 CO -0.12 0.22 -0.02 0.22 -0.00 0.00 0.00 178.16 178.45 1sa3 h ASP 11 N 0.39 0.03 -0.65 3.88 3.58 -0.50 -2.03 116.42 121.11 1sa3 h ASP 11 Ca 0.17 -0.63 0.11 0.00 0.42 0.00 0.00 57.03 57.10 1sa3 h ASP 11 Cb 0.21 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.21 1sa3 h ASP 11 CO -0.04 0.65 0.44 0.44 -2.88 0.00 0.00 179.24 177.85 1sa3 h ASP 12 N -0.59 0.41 -0.45 2.28 3.32 0.17 -0.44 116.42 121.11 1sa3 h ASP 12 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1sa3 h ASP 12 Cb 0.65 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1sa3 h ASP 12 CO 0.00 0.24 0.00 0.49 -1.72 0.00 0.00 179.24 178.25 1sa3 n PHE 13 N -4.47 0.60 -4.15 4.55 3.01 -0.27 -4.96 117.46 111.78 1sa3 n PHE 13 Ca 0.11 -0.30 -0.35 0.00 1.01 0.00 0.00 57.45 57.92 1sa3 n PHE 13 Cb 0.40 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.85 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 -0.45 0.19 1.37 0.00 -0.17 -4.89 105.19 102.57 1sa3 n GLY 14 Ca 0.17 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.64 0.68 0.00 -0.61 1.08 -1.63 -2.65 117.51 112.74 1sa3 h ILE 15 Ca -0.59 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1sa3 h ILE 15 Cb 1.38 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 1sa3 h ILE 15 CO 0.75 0.00 0.00 0.47 -0.69 0.00 0.00 178.15 178.68 1sa3 n ASP 16 N -5.27 0.58 -0.14 1.72 8.00 -1.26 -1.21 116.55 118.97 1sa3 n ASP 16 Ca -0.09 0.72 0.13 0.00 0.71 0.00 0.00 54.79 56.26 1sa3 n ASP 16 Cb 0.19 -0.81 0.39 0.00 -0.02 0.00 0.00 41.12 40.86 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 -2.22 0.52 -3.09 -1.24 3.00 -1.00 -4.86 117.38 108.48 1sa3 n GLN 17 Ca -0.00 -0.28 -0.39 0.00 -0.01 0.00 0.00 57.00 56.32 1sa3 n GLN 17 Cb 0.11 -1.49 -0.05 0.00 0.00 0.00 0.00 30.24 28.80 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 -2.67 4.31 0.34 1.08 1.43 -0.35 -5.02 118.68 117.79 1sa3 s LEU 18 Ca 0.21 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.15 1sa3 s LEU 18 Cb 0.19 -3.02 -0.12 0.00 0.03 0.00 0.00 46.19 43.27 1sa3 s LEU 18 CO 0.57 -0.10 1.40 -2.65 0.23 0.00 0.00 176.35 175.81 1sa3 n PRO 19 N 3.75 2.37 0.26 1.29 -0.02 -1.26 -4.87 135.00 136.52 1sa3 n PRO 19 Ca -0.02 0.83 0.09 0.00 -2.02 0.00 0.00 63.50 62.38 1sa3 n PRO 19 Cb 0.51 -2.50 0.65 0.00 -0.02 0.00 0.00 33.50 32.15 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 3.10 0.00 0.00 6.00 3.86 -1.96 -2.06 115.15 124.09 1sa3 h HIS 20 Ca -0.48 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.64 1sa3 h HIS 20 Cb 1.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.72 1sa3 h HIS 20 CO 0.53 0.04 -0.44 1.79 0.86 0.00 0.00 177.93 180.71 1sa3 h THR 21 N 0.00 1.20 0.00 2.45 1.35 -2.05 -3.36 112.91 112.51 1sa3 h THR 21 Ca -0.00 -1.58 -0.70 0.00 -0.55 0.00 0.00 66.41 63.59 1sa3 h THR 21 Cb 0.08 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 1sa3 h THR 21 CO 0.01 0.43 3.17 0.00 -0.25 0.00 0.00 175.52 178.88 1sa3 n GLN 22 N -3.84 2.86 -0.22 4.72 6.02 -0.77 -4.72 117.38 121.43 1sa3 n GLN 22 Ca -0.01 -2.47 -0.01 0.00 -0.01 0.00 0.00 57.00 54.50 1sa3 n GLN 22 Cb 0.49 -3.18 0.20 0.00 1.02 0.00 0.00 30.24 28.77 1sa3 n GLN 22 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1sa3 h HIS 23 N 6.01 0.99 0.24 1.08 3.86 -1.81 -2.75 115.15 122.76 1sa3 h HIS 23 Ca 0.60 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.79 1sa3 h HIS 23 Cb 0.58 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1sa3 h HIS 23 CO 1.51 0.68 -0.27 0.78 0.86 0.00 0.00 177.93 181.49 1sa3 h GLY 24 N 1.06 -1.02 0.55 2.45 0.00 -1.96 0.94 103.07 105.09 1sa3 h GLY 24 Ca 0.26 0.47 0.08 0.00 0.00 0.00 0.00 47.33 48.14 1sa3 h GLY 24 CO -0.04 -0.33 0.36 -2.08 0.00 0.00 0.00 176.54 174.45 1sa3 h VAL 25 N -0.51 0.89 -0.44 4.60 2.07 -1.98 -1.58 116.25 119.30 1sa3 h VAL 25 Ca -0.03 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.35 1sa3 h VAL 25 Cb 0.45 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1sa3 h VAL 25 CO -0.05 0.12 0.05 0.74 0.02 0.00 0.00 177.57 178.44 1sa3 h THR 26 N 0.64 0.72 -0.66 2.57 2.02 -1.25 0.41 112.91 117.36 1sa3 h THR 26 Ca 0.33 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 1sa3 h THR 26 Cb 0.30 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1sa3 h THR 26 CO -0.23 0.03 0.34 -1.28 0.37 0.00 0.00 175.52 174.74 1sa3 h SER 27 N 0.17 0.85 -0.49 4.18 0.87 -0.11 -0.09 113.55 118.93 1sa3 h SER 27 Ca 0.22 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1sa3 h SER 27 Cb 0.30 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1sa3 h SER 27 CO -0.32 0.72 0.20 0.44 -0.53 0.00 0.00 176.83 177.34 1sa3 h ASP 28 N 0.91 0.67 -0.38 6.23 3.45 -0.32 -1.63 116.42 125.35 1sa3 h ASP 28 Ca 0.23 -0.16 -0.05 0.00 0.43 0.00 0.00 57.03 57.48 1sa3 h ASP 28 Cb 0.09 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 1sa3 h ASP 28 CO -0.03 0.65 0.04 0.03 -1.57 0.00 0.00 179.24 178.36 1sa3 h ARG 29 N 0.64 0.64 -0.71 3.56 -0.00 0.03 -2.79 114.38 115.75 1sa3 h ARG 29 Ca 0.16 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.98 59.44 1sa3 h ARG 29 Cb 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.05 1sa3 h ARG 29 CO -0.01 0.72 0.37 -0.07 0.00 0.00 0.00 179.97 180.97 1sa3 h LEU 30 N 0.48 0.89 0.16 3.04 3.38 -0.89 0.18 115.31 122.55 1sa3 h LEU 30 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1sa3 h LEU 30 Cb 0.40 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1sa3 h LEU 30 CO 0.01 0.74 -0.08 1.23 0.09 0.00 0.00 178.44 180.43 1sa3 h GLY 31 N 1.05 -0.22 1.56 0.83 0.00 -1.15 -0.43 103.07 104.72 1sa3 h GLY 31 Ca 0.25 0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.59 1sa3 h GLY 31 CO -0.04 -0.08 -0.13 0.50 0.00 0.00 0.00 176.54 176.79 1sa3 h LYS 32 N -0.22 0.52 -0.00 4.80 1.79 -1.22 -2.61 116.57 119.63 1sa3 h LYS 32 Ca -0.02 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1sa3 h LYS 32 Cb 0.17 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1sa3 h LYS 32 CO 0.04 0.65 0.00 1.25 -1.08 0.00 0.00 179.45 180.31 1sa3 h LEU 33 N 0.48 0.00 -1.46 2.94 6.46 -0.25 -2.30 115.31 121.19 1sa3 h LEU 33 Ca 0.09 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1sa3 h LEU 33 Cb 0.52 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1sa3 h LEU 33 CO 0.03 0.07 -0.09 1.88 -0.62 0.00 0.00 178.44 179.72 1sa3 h TYR 34 N -0.07 0.00 -0.21 1.25 -1.99 -0.96 -0.53 116.97 114.46 1sa3 h TYR 34 Ca 0.00 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.56 1sa3 h TYR 34 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1sa3 h TYR 34 CO -0.05 0.09 -0.53 1.49 -0.00 0.00 0.00 178.16 179.15 1sa3 h GLU 35 N 0.00 0.73 -0.01 4.88 4.81 -1.27 -2.86 114.58 120.86 1sa3 h GLU 35 Ca -0.00 -0.50 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 1sa3 h GLU 35 Cb 0.55 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1sa3 h GLU 35 CO 0.01 1.12 -0.29 -0.22 -0.73 0.00 0.00 179.01 178.91 1sa3 h LYS 36 N 0.44 0.02 -0.67 1.92 3.11 -0.88 -1.44 116.57 119.08 1sa3 h LYS 36 Ca -0.01 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 1sa3 h LYS 36 Cb 1.14 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.34 1sa3 h LYS 36 CO 0.11 0.31 0.21 -0.92 -2.81 0.00 0.00 179.45 176.35 1sa3 h TYR 37 N 0.02 1.07 -0.23 1.91 3.20 -0.94 -0.37 116.97 121.63 1sa3 h TYR 37 Ca 0.00 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.67 1sa3 h TYR 37 Cb 0.52 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 1sa3 h TYR 37 CO 0.00 0.86 -0.21 0.82 -1.64 0.00 0.00 178.16 177.99 1sa3 h ILE 38 N 0.97 1.32 -0.96 1.81 1.08 -1.19 -2.69 117.51 117.85 1sa3 h ILE 38 Ca 0.22 -1.37 0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1sa3 h ILE 38 Cb 0.29 1.70 -0.05 0.00 -3.07 0.00 0.00 36.82 35.69 1sa3 h ILE 38 CO -0.01 0.42 0.64 -0.07 -0.69 0.00 0.00 178.15 178.44 1sa3 h LEU 39 N 0.24 1.08 -0.51 1.44 3.38 -1.02 -2.32 115.31 117.59 1sa3 h LEU 39 Ca 0.04 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1sa3 h LEU 39 Cb 0.76 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1sa3 h LEU 39 CO 0.05 0.77 -0.55 0.44 0.09 0.00 0.00 178.44 179.24 1sa3 h ASP 40 N 1.27 0.63 0.14 -0.43 5.19 -1.07 -0.15 116.42 122.00 1sa3 h ASP 40 Ca 0.37 -0.33 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 1sa3 h ASP 40 Cb -0.09 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 1sa3 h ASP 40 CO -0.09 1.05 -0.22 0.40 -3.12 0.00 0.00 179.24 177.26 1sa3 h ILE 41 N 0.43 1.20 -0.24 0.35 2.04 -1.12 -2.96 117.51 117.22 1sa3 h ILE 41 Ca 0.01 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 1sa3 h ILE 41 Cb 1.09 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 1sa3 h ILE 41 CO 0.10 0.27 -0.15 0.49 0.00 0.00 0.00 178.15 178.86 1sa3 n PHE 42 N -4.23 0.75 -0.02 1.37 3.01 -0.91 -3.33 117.46 114.10 1sa3 n PHE 42 Ca -0.01 -1.44 -0.11 0.00 1.01 0.00 0.00 57.45 56.89 1sa3 n PHE 42 Cb 0.31 -0.39 -0.05 0.00 -0.01 0.00 0.00 39.48 39.34 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 1.01 0.18 -3.62 -1.08 3.64 -0.84 -3.22 116.57 112.63 1sa3 h LYS 43 Ca 0.13 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1sa3 h LYS 43 Cb 1.44 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.15 1sa3 h LYS 43 CO 0.25 0.21 -0.06 0.16 -2.27 0.00 0.00 179.45 177.74 1sa3 s ASP 44 N -5.42 0.11 0.36 4.20 3.84 -1.24 -4.11 116.67 114.42 1sa3 s ASP 44 Ca -0.13 -1.05 0.04 0.00 -0.00 0.00 0.00 52.55 51.41 1sa3 s ASP 44 Cb 0.07 0.64 0.67 0.00 -1.38 0.00 0.00 42.92 42.92 1sa3 s ASP 44 CO 0.69 -1.25 1.99 -0.29 -0.00 0.00 0.00 175.17 176.30 1sa3 h ILE 45 N 2.18 1.16 -0.16 2.11 6.09 -1.90 -1.59 117.51 125.39 1sa3 h ILE 45 Ca -0.27 -0.39 -0.00 0.00 -1.37 0.00 0.00 64.86 62.83 1sa3 h ILE 45 Cb 1.25 0.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.99 1sa3 h ILE 45 CO 0.36 0.17 0.09 1.05 -3.07 0.00 0.00 178.15 176.75 1sa3 h GLU 46 N 0.71 0.23 -0.15 2.19 4.11 -1.96 -1.18 114.58 118.53 1sa3 h GLU 46 Ca 0.18 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1sa3 h GLU 46 Cb 0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1sa3 h GLU 46 CO -0.03 0.24 0.10 0.77 0.07 0.00 0.00 179.01 180.16 1sa3 h SER 47 N 0.16 0.17 -0.62 3.06 0.02 -1.76 -0.56 113.55 114.02 1sa3 h SER 47 Ca 0.06 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1sa3 h SER 47 Cb 0.08 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1sa3 h SER 47 CO -0.01 0.13 0.40 0.25 -1.14 0.00 0.00 176.83 176.46 1sa3 h LEU 48 N 0.20 0.69 -0.82 5.07 5.85 -1.20 0.90 115.31 126.01 1sa3 h LEU 48 Ca 0.06 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1sa3 h LEU 48 Cb -0.02 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1sa3 h LEU 48 CO -0.01 0.50 0.06 0.11 -0.34 0.00 0.00 178.44 178.76 1sa3 h LYS 49 N 0.82 0.95 -0.29 1.25 1.57 -0.99 -2.27 116.57 117.61 1sa3 h LYS 49 Ca 0.23 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1sa3 h LYS 49 Cb -0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1sa3 h LYS 49 CO -0.06 0.89 -0.39 -0.22 -0.57 0.00 0.00 179.45 179.10 1sa3 h LYS 50 N 0.89 0.68 -0.00 3.15 3.64 -0.52 -3.19 116.57 121.20 1sa3 h LYS 50 Ca 0.18 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1sa3 h LYS 50 Cb 0.43 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1sa3 h LYS 50 CO 0.01 0.95 -0.13 0.66 -2.27 0.00 0.00 179.45 178.67 1sa3 n TYR 51 N -4.04 0.00 -1.39 1.91 0.53 0.26 -3.66 117.16 110.77 1sa3 n TYR 51 Ca -0.02 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.64 1sa3 n TYR 51 Cb 0.52 -0.16 0.14 0.00 -1.03 0.00 0.00 39.34 38.82 1sa3 n TYR 51 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1sa3 n ASN 52 N -0.85 4.63 -4.43 7.72 5.15 -0.87 -1.08 115.26 125.54 1sa3 n ASN 52 Ca 0.14 -3.72 -0.24 0.00 -0.60 0.00 0.00 54.58 50.17 1sa3 n ASN 52 Cb 0.29 -0.78 -0.11 0.00 -0.53 0.00 0.00 39.78 38.65 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 -3.83 2.29 -0.21 -0.44 -4.23 -1.24 -4.99 115.64 102.99 1sa3 s THR 53 Ca 0.56 -2.24 0.19 0.00 -1.18 0.00 0.00 61.69 59.01 1sa3 s THR 53 Cb 0.46 -2.18 0.19 0.00 1.34 0.00 0.00 72.50 72.32 1sa3 s THR 53 CO 0.04 -0.35 1.56 0.59 -0.54 0.00 0.00 174.62 175.93 1sa3 n ASN 54 N -0.28 0.49 0.24 3.99 3.02 -1.26 -1.10 115.26 120.36 1sa3 n ASN 54 Ca -0.08 0.71 0.13 0.00 -0.03 0.00 0.00 54.58 55.31 1sa3 n ASN 54 Cb 0.59 -0.76 0.47 0.00 -0.61 0.00 0.00 39.78 39.47 1sa3 n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sa3 h ALA 55 N 1.87 0.99 -2.26 5.41 0.00 -1.95 -3.33 119.26 119.99 1sa3 h ALA 55 Ca 0.00 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 54.22 1sa3 h ALA 55 Cb 0.10 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.47 1sa3 h ALA 55 CO 0.00 0.15 -0.89 1.19 0.00 0.00 0.00 179.25 179.70 1sa3 n PHE 56 N -3.22 0.94 -0.30 0.00 3.01 -0.26 -4.99 117.46 112.63 1sa3 n PHE 56 Ca 0.01 -3.74 0.11 0.00 1.01 0.00 0.00 57.45 54.84 1sa3 n PHE 56 Cb 0.42 -0.30 0.28 0.00 -0.01 0.00 0.00 39.48 39.87 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 4.57 0.46 0.36 -1.08 0.11 -1.69 -0.03 132.00 134.70 1sa3 h PRO 57 Ca 0.15 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1sa3 h PRO 57 Cb 0.82 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1sa3 h PRO 57 CO 0.56 0.30 -0.17 0.37 -0.21 0.00 0.00 178.00 178.85 1sa3 h GLN 58 N 0.47 -0.47 -0.38 1.05 4.15 -1.93 -1.71 115.11 116.29 1sa3 h GLN 58 Ca 0.53 0.03 0.04 0.00 0.77 0.00 0.00 58.65 60.02 1sa3 h GLN 58 Cb 0.93 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 1sa3 h GLN 58 CO -0.47 -0.17 0.26 0.93 -1.93 0.00 0.00 178.83 177.45 1sa3 h GLU 59 N -0.98 0.36 -0.59 1.69 3.07 -1.78 -0.80 114.58 115.55 1sa3 h GLU 59 Ca -0.05 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.70 1sa3 h GLU 59 Cb 0.52 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1sa3 h GLU 59 CO 0.08 0.24 0.00 -0.22 -1.40 0.00 0.00 179.01 177.72 1sa3 h LYS 60 N 0.37 1.03 -0.37 2.33 3.64 0.66 0.11 116.57 124.34 1sa3 h LYS 60 Ca 0.16 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1sa3 h LYS 60 Cb 0.17 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1sa3 h LYS 60 CO -0.04 1.00 0.14 0.22 -2.27 0.00 0.00 179.45 178.51 1sa3 h ASP 61 N 0.94 0.51 0.32 4.20 3.58 -0.22 0.13 116.42 125.89 1sa3 h ASP 61 Ca 0.17 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1sa3 h ASP 61 Cb 0.54 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1sa3 h ASP 61 CO 0.03 0.55 -0.16 0.40 -2.88 0.00 0.00 179.24 177.18 1sa3 h ILE 62 N 0.45 0.70 -0.71 2.25 2.04 -1.02 -1.10 117.51 120.12 1sa3 h ILE 62 Ca 0.12 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1sa3 h ILE 62 Cb 0.20 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1sa3 h ILE 62 CO -0.01 0.04 0.45 -1.28 0.00 0.00 0.00 178.15 177.35 1sa3 h SER 63 N -0.54 0.75 -0.63 1.72 0.87 -0.73 -1.60 113.55 113.39 1sa3 h SER 63 Ca -0.04 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1sa3 h SER 63 Cb 0.40 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1sa3 h SER 63 CO 0.07 0.52 0.27 -1.28 -0.53 0.00 0.00 176.83 175.89 1sa3 h SER 64 N 0.89 0.85 -0.60 6.23 0.87 -0.64 -1.11 113.55 120.03 1sa3 h SER 64 Ca 0.28 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1sa3 h SER 64 Cb -0.01 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 1sa3 h SER 64 CO -0.10 0.77 0.19 0.11 -0.53 0.00 0.00 176.83 177.28 1sa3 h LYS 65 N 0.88 0.97 -0.19 2.24 1.57 -0.80 0.32 116.57 121.57 1sa3 h LYS 65 Ca 0.21 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1sa3 h LYS 65 Cb 0.17 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1sa3 h LYS 65 CO -0.02 0.84 -0.02 1.25 -0.57 0.00 0.00 179.45 180.94 1sa3 h LEU 66 N 0.94 0.34 -1.06 2.94 6.46 -0.87 -1.54 115.31 122.51 1sa3 h LEU 66 Ca 0.21 -0.33 -0.07 0.00 -0.12 0.00 0.00 57.88 57.56 1sa3 h LEU 66 Cb 0.28 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1sa3 h LEU 66 CO -0.01 0.59 -0.12 -0.07 -0.62 0.00 0.00 178.44 178.21 1sa3 h LEU 67 N 0.08 0.50 -0.34 2.25 3.38 -1.06 -2.85 115.31 117.27 1sa3 h LEU 67 Ca 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1sa3 h LEU 67 Cb 0.42 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1sa3 h LEU 67 CO 0.01 0.66 0.13 0.50 0.09 0.00 0.00 178.44 179.84 1sa3 h LYS 68 N 0.48 0.51 0.00 1.13 3.64 -0.74 -0.01 116.57 121.58 1sa3 h LYS 68 Ca 0.09 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1sa3 h LYS 68 Cb 0.50 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1sa3 h LYS 68 CO 0.03 0.51 -0.03 0.00 -2.27 0.00 0.00 179.45 177.69 1sa3 h ALA 69 N 0.98 1.27 -0.02 5.00 0.00 -1.06 -1.28 119.26 124.15 1sa3 h ALA 69 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sa3 h ALA 69 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sa3 h ALA 69 CO -0.01 0.04 -0.47 1.28 0.00 0.00 0.00 179.25 180.09 1sa3 n LEU 70 N -3.50 2.03 -3.58 0.00 4.77 -0.87 -4.56 117.00 111.28 1sa3 n LEU 70 Ca -0.02 -0.75 -0.22 0.00 -0.03 0.00 0.00 56.01 54.98 1sa3 n LEU 70 Cb 0.13 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1sa3 n LEU 70 CO 0.26 0.38 0.17 0.59 -1.33 0.00 0.00 177.39 177.45 1sa3 n ASN 71 N -0.02 -4.44 -4.54 -1.43 3.02 -0.15 -5.00 115.26 102.71 1sa3 n ASN 71 Ca 0.09 -0.61 -0.32 0.00 -0.03 0.00 0.00 54.58 53.72 1sa3 n ASN 71 Cb 0.47 -4.89 -0.11 0.00 -0.61 0.00 0.00 39.78 34.63 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 2.93 -0.23 3.41 1.43 -0.44 -5.04 118.68 113.79 1sa3 s LEU 72 Ca 0.36 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1sa3 s LEU 72 Cb -0.16 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1sa3 s LEU 72 CO 0.75 0.28 0.10 -0.62 0.23 0.00 0.00 176.35 177.08 1sa3 s ASP 73 N -1.38 5.51 0.54 2.29 2.15 -1.26 -4.58 116.67 119.94 1sa3 s ASP 73 Ca 0.16 -0.06 0.34 0.00 0.43 0.00 0.00 52.55 53.42 1sa3 s ASP 73 Cb -0.11 -1.98 1.52 0.00 -0.30 0.00 0.00 42.92 42.05 1sa3 s ASP 73 CO 0.06 0.03 1.85 0.25 -0.17 0.00 0.00 175.17 177.19 1sa3 h LEU 74 N 7.76 0.00 -1.76 -1.34 5.85 -1.97 0.26 115.31 124.11 1sa3 h LEU 74 Ca -0.37 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1sa3 h LEU 74 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1sa3 h LEU 74 CO 0.61 0.00 -0.03 0.44 -0.34 0.00 0.00 178.44 179.13 1sa3 h ASP 75 N 0.00 0.00 -0.02 1.25 3.32 -2.05 -2.50 116.42 116.42 1sa3 h ASP 75 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1sa3 h ASP 75 Cb 1.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.54 1sa3 h ASP 75 CO -0.01 0.03 -0.04 -3.20 -1.72 0.00 0.00 179.24 174.30 1sa3 n ASN 76 N -3.15 2.73 -4.60 6.45 5.15 0.92 -4.87 115.26 117.88 1sa3 n ASN 76 Ca -0.00 -1.89 -0.41 0.00 -0.60 0.00 0.00 54.58 51.68 1sa3 n ASN 76 Cb 0.27 0.04 -0.07 0.00 -0.53 0.00 0.00 39.78 39.49 1sa3 n ASN 76 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1sa3 s ILE 77 N -2.04 4.97 -0.18 -1.44 1.01 -0.94 -1.45 121.20 121.13 1sa3 s ILE 77 Ca 0.28 0.89 -0.07 0.00 0.00 0.00 0.00 60.65 61.75 1sa3 s ILE 77 Cb 0.20 -3.96 -0.22 0.00 0.01 0.00 0.00 42.46 38.49 1sa3 s ILE 77 CO 0.33 -0.08 0.15 -0.38 0.00 0.00 0.00 174.94 174.96 1sa3 n ILE 78 N 5.32 1.66 -3.97 2.92 -0.00 1.00 -4.88 119.36 121.41 1sa3 n ILE 78 Ca -0.02 -0.53 -0.08 0.00 -0.00 0.00 0.00 62.75 62.13 1sa3 n ILE 78 Cb 0.49 -1.71 -0.09 0.00 -0.00 0.00 0.00 39.64 38.33 1sa3 n ILE 78 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1sa3 s ASP 79 N -6.92 0.29 -0.12 4.38 2.15 -0.88 -4.89 116.67 110.68 1sa3 s ASP 79 Ca -0.28 -0.82 -0.18 0.00 0.43 0.00 0.00 52.55 51.70 1sa3 s ASP 79 Cb 0.08 0.28 0.04 0.00 -0.30 0.00 0.00 42.92 43.02 1sa3 s ASP 79 CO 0.68 -0.67 0.47 0.54 -0.17 0.00 0.00 175.17 176.02 1sa3 s VAL 80 N -3.89 0.01 0.09 1.11 0.11 -1.26 -0.71 120.40 115.86 1sa3 s VAL 80 Ca 0.06 -0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 58.89 1sa3 s VAL 80 Cb 0.06 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1sa3 s VAL 80 CO -0.10 -0.07 0.22 -0.94 -3.33 0.00 0.00 175.10 170.88 1sa3 s SER 81 N -0.36 0.07 0.13 3.54 1.04 -0.89 -3.60 113.70 113.62 1sa3 s SER 81 Ca -0.05 -0.58 -0.12 0.00 0.48 0.00 0.00 55.95 55.67 1sa3 s SER 81 Cb -0.03 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1sa3 s SER 81 CO 0.03 -0.73 0.32 -0.94 0.98 0.00 0.00 173.24 172.90 1sa3 s SER 82 N -2.78 -0.07 -0.14 7.02 1.04 -1.22 -0.56 113.70 117.00 1sa3 s SER 82 Ca 0.04 -0.55 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 1sa3 s SER 82 Cb 0.04 0.43 0.13 0.00 0.10 0.00 0.00 66.02 66.72 1sa3 s SER 82 CO -0.10 -0.84 1.01 -0.94 0.98 0.00 0.00 173.24 173.34 1sa3 s SER 83 N -2.86 -0.34 0.64 7.02 1.04 -0.31 -4.96 113.70 113.94 1sa3 s SER 83 Ca 0.07 0.28 -0.18 0.00 0.48 0.00 0.00 55.95 56.59 1sa3 s SER 83 Cb 0.03 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 1sa3 s SER 83 CO -0.09 -0.38 1.27 -0.62 0.98 0.00 0.00 173.24 174.41 1sa3 s ASP 84 N -1.46 4.68 -0.17 7.02 3.68 -1.26 -1.19 116.67 127.97 1sa3 s ASP 84 Ca 0.01 2.56 -0.03 0.00 2.13 0.00 0.00 52.55 57.22 1sa3 s ASP 84 Cb -0.01 -2.61 -0.02 0.00 -1.45 0.00 0.00 42.92 38.83 1sa3 s ASP 84 CO -0.01 -1.95 -0.05 -0.89 0.13 0.00 0.00 175.17 172.39 1sa3 s THR 85 N -1.47 3.63 -0.43 1.71 2.01 -0.65 -4.76 115.64 115.67 1sa3 s THR 85 Ca 0.81 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 62.42 1sa3 s THR 85 Cb -0.36 -2.59 0.17 0.00 0.01 0.00 0.00 72.50 69.73 1sa3 s THR 85 CO 0.39 0.48 0.50 -0.62 -0.69 0.00 0.00 174.62 174.68 1sa3 s ASP 86 N 0.66 0.11 0.13 3.53 2.15 -1.26 -4.74 116.67 117.23 1sa3 s ASP 86 Ca -0.03 -1.89 0.27 0.00 0.43 0.00 0.00 52.55 51.32 1sa3 s ASP 86 Cb -0.15 0.90 0.97 0.00 -0.30 0.00 0.00 42.92 44.34 1sa3 s ASP 86 CO 0.02 -0.16 1.82 0.18 -0.17 0.00 0.00 175.17 176.86 1sa3 n LEU 87 N 3.53 0.47 -2.01 -1.34 4.77 -1.26 -4.95 117.00 116.21 1sa3 n LEU 87 Ca 0.18 0.55 -0.17 0.00 -0.03 0.00 0.00 56.01 56.54 1sa3 n LEU 87 Cb 0.50 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1sa3 n LEU 87 CO 0.04 -0.14 -0.15 0.61 -1.33 0.00 0.00 177.39 176.43 1sa3 n GLY 88 N 1.24 -0.28 3.47 -0.72 0.00 -1.26 -5.00 105.19 102.63 1sa3 n GLY 88 Ca 0.06 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 1.09 0.14 1.61 1.70 -1.26 -5.16 118.95 112.07 1sa3 s ARG 89 Ca 0.07 -0.23 0.02 0.00 -0.47 0.00 0.00 55.73 55.13 1sa3 s ARG 89 Cb -0.03 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 1sa3 s ARG 89 CO 0.09 -0.44 0.27 0.95 -1.08 0.00 0.00 175.30 175.09 1sa3 s THR 90 N -2.86 5.32 0.00 4.99 -4.23 -1.26 -4.35 115.64 113.25 1sa3 s THR 90 Ca -0.01 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1sa3 s THR 90 Cb -0.01 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1sa3 s THR 90 CO -0.06 -0.06 0.00 2.30 -0.54 0.00 0.00 174.62 176.26 1sa3 n ILE 91 N -0.42 0.00 -1.76 2.99 -5.35 0.18 -4.93 119.36 110.08 1sa3 n ILE 91 Ca -0.07 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 61.98 1sa3 n ILE 91 Cb 0.54 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.41 1sa3 n ILE 91 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sa3 s ALA 92 N -2.00 2.84 0.00 -1.28 0.00 -1.26 -0.67 121.76 119.39 1sa3 s ALA 92 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1sa3 s ALA 92 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1sa3 s ALA 92 CO 0.00 -2.65 0.00 0.41 0.00 0.00 0.00 175.76 173.52 1sa3 n GLY 93 N 5.55 0.86 0.00 0.00 0.00 -1.26 -4.97 105.19 105.36 1sa3 n GLY 93 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.80 -0.58 3.75 -0.02 0.00 0.16 -5.01 105.19 102.69 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 6.70 0.62 1.61 0.01 -1.26 -0.64 113.70 116.73 1sa3 s SER 95 Ca 0.00 2.66 -0.18 0.00 1.31 0.00 0.00 55.95 59.74 1sa3 s SER 95 Cb 0.00 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.54 1sa3 s SER 95 CO 0.00 -0.65 0.72 -2.65 0.41 0.00 0.00 173.24 171.07 1sa3 n PRO 96 N 1.95 0.60 -0.11 12.44 -0.02 -1.26 -4.88 135.00 143.72 1sa3 n PRO 96 Ca 0.05 0.24 0.07 0.00 -2.02 0.00 0.00 63.50 61.84 1sa3 n PRO 96 Cb 0.41 -1.93 0.24 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.68 1.61 -2.89 -0.52 4.76 -1.26 -4.85 118.16 114.33 1sa3 n LYS 97 Ca 0.12 -0.94 -0.42 0.00 -2.87 0.00 0.00 58.31 54.21 1sa3 n LYS 97 Cb 0.48 -1.28 -0.04 0.00 -1.84 0.00 0.00 35.03 32.35 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 -1.72 4.69 -0.09 -0.18 2.01 -1.26 -4.42 115.64 114.67 1sa3 s THR 98 Ca 0.24 1.11 0.15 0.00 0.31 0.00 0.00 61.69 63.50 1sa3 s THR 98 Cb 0.12 -4.24 -0.12 0.00 0.01 0.00 0.00 72.50 68.27 1sa3 s THR 98 CO 0.18 -0.42 0.95 0.44 -0.69 0.00 0.00 174.62 175.08 1sa3 h ASP 99 N 8.35 0.00 -5.44 3.53 3.32 -0.27 -3.43 116.42 122.48 1sa3 h ASP 99 Ca -0.24 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.02 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 0.93 0.67 0.57 0.00 -1.72 0.00 0.00 179.24 179.69 1sa3 s ALA 100 N -2.86 -1.79 0.05 3.45 0.00 -1.09 -1.64 121.76 117.88 1sa3 s ALA 100 Ca -0.02 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.18 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 0.80 -1.05 -0.05 0.95 0.00 0.00 0.00 175.76 176.42 1sa3 s THR 101 N -3.04 0.35 -0.02 0.00 -4.23 -0.33 0.66 115.64 109.02 1sa3 s THR 101 Ca 0.13 -1.37 0.05 0.00 -1.18 0.00 0.00 61.69 59.32 1sa3 s THR 101 Cb 0.00 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 1sa3 s THR 101 CO 0.01 -0.67 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.62 1sa3 s ILE 102 N -2.47 1.35 -0.16 2.99 1.01 -0.82 -1.16 121.20 121.94 1sa3 s ILE 102 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1sa3 s ILE 102 Cb -0.03 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1sa3 s ILE 102 CO -0.04 0.39 -0.19 -0.60 0.00 0.00 0.00 174.94 174.50 1sa3 s ARG 103 N -0.23 2.78 -0.16 2.79 3.52 0.27 0.07 118.95 128.00 1sa3 s ARG 103 Ca 0.03 -0.75 -0.08 0.00 -0.13 0.00 0.00 55.73 54.80 1sa3 s ARG 103 Cb -0.08 -2.39 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 1sa3 s ARG 103 CO 0.00 -0.17 0.10 -0.06 -0.81 0.00 0.00 175.30 174.36 1sa3 s PHE 104 N 1.23 3.40 -0.19 5.12 0.40 -0.64 -2.09 117.98 125.21 1sa3 s PHE 104 Ca 0.02 0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 56.61 1sa3 s PHE 104 Cb -0.14 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 1sa3 s PHE 104 CO -0.10 0.40 -0.00 0.99 0.70 0.00 0.00 175.22 177.21 1sa3 s THR 105 N -0.16 4.03 0.49 0.64 2.01 0.12 -1.22 115.64 121.55 1sa3 s THR 105 Ca 0.09 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 1sa3 s THR 105 Cb -0.12 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1sa3 s THR 105 CO 0.01 0.45 0.75 -0.36 -0.69 0.00 0.00 174.62 174.78 1sa3 s PHE 106 N 0.77 3.33 0.27 4.92 0.40 0.24 -0.00 117.98 127.89 1sa3 s PHE 106 Ca 0.00 0.49 -0.02 0.00 -0.60 0.00 0.00 56.93 56.80 1sa3 s PHE 106 Cb -0.14 -2.40 0.57 0.00 0.51 0.00 0.00 43.02 41.56 1sa3 s PHE 106 CO 0.02 -0.44 1.64 1.25 0.70 0.00 0.00 175.22 178.39 1sa3 h HIS 107 N 0.22 0.17 0.00 0.36 2.76 -1.56 1.64 115.15 118.74 1sa3 h HIS 107 Ca -0.46 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1sa3 h HIS 107 Cb 1.24 0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.26 1sa3 h HIS 107 CO 0.49 -0.21 0.00 0.27 -1.30 0.00 0.00 177.93 177.18 1sa3 n ASN 108 N -5.28 0.07 0.00 3.26 0.23 -1.26 -4.87 115.26 107.41 1sa3 n ASN 108 Ca 0.17 -1.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.37 1sa3 n ASN 108 Cb 0.57 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1sa3 n ASN 108 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sa3 n GLN 109 N -0.46 0.00 -1.54 -3.83 1.13 0.56 -5.03 117.38 108.21 1sa3 n GLN 109 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 1sa3 n GLN 109 Cb 0.02 -1.64 0.19 0.00 0.11 0.00 0.00 30.24 28.92 1sa3 n GLN 109 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1sa3 s SER 110 N -3.89 2.50 0.13 1.08 1.04 -1.26 -4.56 113.70 108.75 1sa3 s SER 110 Ca 0.00 0.58 -0.08 0.00 0.48 0.00 0.00 55.95 56.93 1sa3 s SER 110 Cb 0.00 -0.84 -0.01 0.00 0.10 0.00 0.00 66.02 65.27 1sa3 s SER 110 CO 0.00 -3.14 0.22 -0.94 0.98 0.00 0.00 173.24 170.36 1sa3 s SER 111 N -4.32 0.10 -0.06 7.02 1.04 -1.26 0.79 113.70 117.01 1sa3 s SER 111 Ca 0.70 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 56.32 1sa3 s SER 111 Cb -0.09 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.44 1sa3 s SER 111 CO 0.54 -0.81 -0.06 -0.60 0.98 0.00 0.00 173.24 173.28 1sa3 s ARG 112 N -3.93 1.08 -0.17 4.02 3.00 -0.35 -4.99 118.95 117.60 1sa3 s ARG 112 Ca 0.13 -0.18 -0.16 0.00 -1.00 0.00 0.00 55.73 54.52 1sa3 s ARG 112 Cb 0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 34.95 33.92 1sa3 s ARG 112 CO -0.04 -0.08 0.41 -1.17 0.00 0.00 0.00 175.30 174.42 1sa3 s LEU 113 N 0.96 4.20 -0.43 -0.88 2.96 -1.26 -1.63 118.68 122.61 1sa3 s LEU 113 Ca -0.10 0.60 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 1sa3 s LEU 113 Cb -0.14 -2.55 0.12 0.00 0.50 0.00 0.00 46.19 44.11 1sa3 s LEU 113 CO 0.00 -0.03 0.18 -0.69 -1.32 0.00 0.00 176.35 174.49 1sa3 s VAL 114 N 0.99 2.77 0.25 1.68 1.01 0.11 -3.98 120.40 123.23 1sa3 s VAL 114 Ca 0.21 -2.53 -0.30 0.00 0.00 0.00 0.00 61.98 59.36 1sa3 s VAL 114 Cb -0.15 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 1sa3 s VAL 114 CO 0.08 -0.69 1.19 -2.16 0.00 0.00 0.00 175.10 173.52 1sa3 s PRO 115 N 0.62 4.51 0.13 2.72 0.04 -1.26 -1.94 135.00 139.82 1sa3 s PRO 115 Ca 0.12 1.93 0.09 0.00 0.04 0.00 0.00 61.00 63.18 1sa3 s PRO 115 Cb -0.21 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1sa3 s PRO 115 CO -0.05 -0.02 -0.21 -0.51 0.04 0.00 0.00 177.00 176.25 1sa3 s LEU 116 N -0.92 2.36 -0.12 -3.56 1.43 0.21 -0.35 118.68 117.73 1sa3 s LEU 116 Ca 0.50 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1sa3 s LEU 116 Cb -0.34 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 44.97 1sa3 s LEU 116 CO 0.41 0.04 -0.21 0.21 0.23 0.00 0.00 176.35 177.04 1sa3 s ASN 117 N -2.26 2.93 -0.07 2.29 3.84 -0.79 0.49 114.94 121.38 1sa3 s ASN 117 Ca 0.12 -0.55 0.03 0.00 0.21 0.00 0.00 52.86 52.67 1sa3 s ASN 117 Cb -0.08 -1.35 0.01 0.00 -0.55 0.00 0.00 41.25 39.28 1sa3 s ASN 117 CO 0.06 0.08 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.65 1sa3 s ILE 118 N 0.73 1.50 0.13 -5.21 1.01 -1.26 -0.73 121.20 117.36 1sa3 s ILE 118 Ca -0.10 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1sa3 s ILE 118 Cb -0.16 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1sa3 s ILE 118 CO 0.01 0.43 0.04 -0.54 0.00 0.00 0.00 174.94 174.88 1sa3 s LYS 119 N 0.41 0.92 0.02 2.79 1.02 -0.54 -4.98 119.74 119.38 1sa3 s LYS 119 Ca -0.13 -1.43 0.04 0.00 0.02 0.00 0.00 55.97 54.47 1sa3 s LYS 119 Cb -0.15 0.18 -0.02 0.00 -0.52 0.00 0.00 37.83 37.32 1sa3 s LYS 119 CO 0.05 -0.23 -0.13 -3.38 -0.92 0.00 0.00 175.35 170.73 1sa3 s HIS 120 N -3.99 1.18 0.03 3.18 -3.43 -1.26 -1.14 115.29 109.86 1sa3 s HIS 120 Ca 0.23 -0.31 -0.28 0.00 -0.80 0.00 0.00 55.06 53.90 1sa3 s HIS 120 Cb 0.07 -0.72 0.08 0.00 -1.43 0.00 0.00 32.58 30.58 1sa3 s HIS 120 CO 0.01 0.01 0.68 0.45 -2.00 0.00 0.00 174.74 173.89 1sa3 s SER 121 N -0.85 -0.59 0.00 7.38 0.15 -0.39 -4.95 113.70 114.46 1sa3 s SER 121 Ca 0.02 0.36 0.24 0.00 0.70 0.00 0.00 55.95 57.28 1sa3 s SER 121 Cb -0.07 0.54 0.31 0.00 -1.71 0.00 0.00 66.02 65.09 1sa3 s SER 121 CO 0.01 -0.74 1.28 -1.54 1.20 0.00 0.00 173.24 173.45 1sa3 n SER 122 N 0.30 1.18 -4.80 5.45 3.41 -1.22 -0.69 113.62 117.25 1sa3 n SER 122 Ca -0.17 -0.94 -0.26 0.00 -0.26 0.00 0.00 58.87 57.24 1sa3 n SER 122 Cb 0.61 0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 64.92 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 -2.70 2.26 0.06 4.33 -0.14 -1.26 -4.89 119.74 117.40 1sa3 s LYS 123 Ca 0.17 -1.94 0.04 0.00 -1.36 0.00 0.00 55.97 52.88 1sa3 s LYS 123 Cb 0.18 -1.99 -0.24 0.00 -1.68 0.00 0.00 37.83 34.09 1sa3 s LYS 123 CO 0.64 -0.30 1.05 0.87 -0.76 0.00 0.00 175.35 176.86 1sa3 h LYS 124 N 1.19 0.10 -6.43 1.68 1.57 -1.95 -3.45 116.57 109.28 1sa3 h LYS 124 Ca -0.41 -0.18 -0.68 0.00 -1.87 0.00 0.00 60.65 57.51 1sa3 h LYS 124 Cb 1.28 0.07 -0.21 0.00 0.08 0.00 0.00 32.23 33.44 1sa3 h LYS 124 CO 0.66 0.98 -0.77 0.15 -0.57 0.00 0.00 179.45 179.90 1sa3 s LYS 125 N -2.66 2.32 0.05 3.15 3.01 -1.26 -4.94 119.74 119.40 1sa3 s LYS 125 Ca -0.03 -0.84 -0.16 0.00 -1.01 0.00 0.00 55.97 53.93 1sa3 s LYS 125 Cb 0.08 -2.32 0.03 0.00 -1.01 0.00 0.00 37.83 34.61 1sa3 s LYS 125 CO 0.84 0.58 0.36 0.54 0.51 0.00 0.00 175.35 178.18 1sa3 s VAL 126 N -0.90 0.07 0.15 3.17 0.11 -0.44 -4.86 120.40 117.71 1sa3 s VAL 126 Ca 0.15 -0.57 -0.34 0.00 -2.93 0.00 0.00 61.98 58.29 1sa3 s VAL 126 Cb -0.11 -0.95 -0.16 0.00 -1.53 0.00 0.00 36.38 33.64 1sa3 s VAL 126 CO 0.05 -0.31 1.24 -1.20 -3.33 0.00 0.00 175.10 171.54 1sa3 n SER 127 N 0.53 1.57 -0.01 3.54 7.64 -1.26 -1.02 113.62 124.60 1sa3 n SER 127 Ca -0.18 1.13 0.01 0.00 1.01 0.00 0.00 58.87 60.84 1sa3 n SER 127 Cb 0.60 -1.23 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 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 1.84 0.15 0.00 0.44 -5.35 0.83 -4.81 119.36 112.47 1sa3 n ILE 128 Ca 0.16 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1sa3 n ILE 128 Cb 0.24 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 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 -1.92 0.00 -3.09 -1.28 0.00 -1.17 -4.93 120.51 108.12 1sa3 n ALA 129 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.20 1sa3 n ALA 129 Cb 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.66 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 0.86 0.12 0.00 -1.05 -1.26 -0.61 118.70 114.75 1sa3 s GLU 130 Ca 0.00 -0.25 -0.08 0.00 -0.15 0.00 0.00 54.97 54.49 1sa3 s GLU 130 Cb 0.00 -0.81 -0.01 0.00 -0.44 0.00 0.00 34.13 32.87 1sa3 s GLU 130 CO 0.00 0.08 0.21 0.71 0.95 0.00 0.00 175.26 177.21 1sa3 s TYR 131 N 0.27 0.29 0.33 4.83 1.51 -0.40 -4.99 117.35 119.17 1sa3 s TYR 131 Ca -0.04 -0.69 -0.13 0.00 -1.01 0.00 0.00 57.07 55.20 1sa3 s TYR 131 Cb -0.09 -0.09 -0.08 0.00 -0.11 0.00 0.00 41.96 41.60 1sa3 s TYR 131 CO 0.00 -0.60 0.71 0.34 -1.11 0.00 0.00 175.55 174.89 1sa3 s ASP 132 N -2.91 6.68 0.25 2.29 2.15 -1.26 -1.76 116.67 122.11 1sa3 s ASP 132 Ca 0.10 1.17 -0.03 0.00 0.43 0.00 0.00 52.55 54.22 1sa3 s ASP 132 Cb 0.05 -2.33 0.47 0.00 -0.30 0.00 0.00 42.92 40.81 1sa3 s ASP 132 CO -0.06 -0.23 1.77 1.62 -0.17 0.00 0.00 175.17 178.09 1sa3 h VAL 133 N 1.75 0.76 -0.87 1.11 3.04 -1.95 -1.81 116.25 118.28 1sa3 h VAL 133 Ca -0.48 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.00 1sa3 h VAL 133 Cb 1.18 0.09 -0.04 0.00 -2.01 0.00 0.00 31.29 30.51 1sa3 h VAL 133 CO 0.66 0.11 0.51 -0.33 -1.01 0.00 0.00 177.57 177.51 1sa3 h GLU 134 N 0.61 1.19 -0.36 4.17 4.39 -1.98 -0.44 114.58 122.16 1sa3 h GLU 134 Ca 0.43 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1sa3 h GLU 134 Cb 0.57 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1sa3 h GLU 134 CO -0.34 0.84 0.18 1.15 -1.16 0.00 0.00 179.01 179.68 1sa3 h THR 135 N 1.20 1.16 0.59 1.13 2.02 -1.74 0.59 112.91 117.87 1sa3 h THR 135 Ca 0.31 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1sa3 h THR 135 Cb -0.03 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1sa3 h THR 135 CO -0.06 0.17 -0.28 0.40 0.37 0.00 0.00 175.52 176.12 1sa3 h ILE 136 N 0.45 0.41 -0.83 3.11 2.04 -0.97 0.12 117.51 121.84 1sa3 h ILE 136 Ca 0.12 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 66.05 1sa3 h ILE 136 Cb 0.11 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.54 1sa3 h ILE 136 CO -0.02 0.01 0.47 0.00 0.00 0.00 0.00 178.15 178.61 1sa3 h THR 138 N 0.76 1.12 -0.30 0.00 2.02 -0.66 0.28 112.91 116.13 1sa3 h THR 138 Ca 0.41 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 1sa3 h THR 138 Cb 0.42 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1sa3 h THR 138 CO -0.27 0.12 -0.35 1.23 0.37 0.00 0.00 175.52 176.62 1sa3 h GLY 139 N 0.37 0.73 1.50 2.16 0.00 0.08 -3.22 103.07 104.70 1sa3 h GLY 139 Ca 0.11 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1sa3 h GLY 139 CO -0.02 0.63 -0.59 -2.08 0.00 0.00 0.00 176.54 174.49 1sa3 h VAL 140 N 0.56 0.13 -0.04 4.60 2.07 -0.45 -3.38 116.25 119.76 1sa3 h VAL 140 Ca 0.06 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1sa3 h VAL 140 Cb 0.87 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1sa3 h VAL 140 CO 0.08 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.35 1sa3 n GLY 141 N 1.17 1.54 3.60 2.17 0.00 0.67 -4.88 105.19 109.46 1sa3 n GLY 141 Ca 0.01 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.04 5.13 0.73 -0.61 1.01 0.54 -5.03 121.20 120.94 1sa3 s ILE 142 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 1sa3 s ILE 142 Cb 0.00 -3.41 0.12 0.00 0.01 0.00 0.00 42.46 39.19 1sa3 s ILE 142 CO 0.00 0.32 1.01 -0.94 0.00 0.00 0.00 174.94 175.33 1sa3 s SER 143 N 1.33 4.33 0.79 3.58 1.04 -1.26 -4.41 113.70 119.10 1sa3 s SER 143 Ca 0.07 -0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.16 1sa3 s SER 143 Cb -0.15 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.78 1sa3 s SER 143 CO 0.06 -1.87 0.80 0.47 0.98 0.00 0.00 173.24 173.68 1sa3 n ASP 144 N -2.90 -0.34 0.00 7.02 8.00 -1.26 -4.48 116.55 122.59 1sa3 n ASP 144 Ca 0.14 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.19 1sa3 n ASP 144 Cb 0.60 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 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 1.16 0.33 0.05 0.44 0.00 -1.26 -4.88 105.19 101.04 1sa3 n GLY 145 Ca 0.11 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 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 4.89 0.00 -0.64 1.61 4.81 -1.99 -1.87 114.58 121.38 1sa3 h GLU 146 Ca 0.00 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1sa3 h GLU 146 Cb 0.00 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1sa3 h GLU 146 CO 0.00 0.00 0.30 1.25 -0.73 0.00 0.00 179.01 179.83 1sa3 h LEU 147 N 0.00 0.39 -0.76 1.64 5.85 -1.91 -0.93 115.31 119.59 1sa3 h LEU 147 Ca 0.02 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1sa3 h LEU 147 Cb 0.03 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1sa3 h LEU 147 CO -0.04 0.24 -0.10 0.50 -0.34 0.00 0.00 178.44 178.70 1sa3 h LYS 148 N 0.54 0.84 -0.23 1.25 3.64 -1.74 -2.68 116.57 118.19 1sa3 h LYS 148 Ca 0.31 -0.28 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1sa3 h LYS 148 Cb 0.30 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1sa3 h LYS 148 CO -0.25 0.90 -0.30 0.93 -2.27 0.00 0.00 179.45 178.47 1sa3 h GLU 149 N 0.76 0.47 -0.37 1.90 4.39 -0.49 -0.55 114.58 120.70 1sa3 h GLU 149 Ca 0.13 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 1sa3 h GLU 149 Cb 0.60 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1sa3 h GLU 149 CO 0.04 0.72 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.46 1sa3 h LEU 150 N 0.41 0.72 -0.61 1.33 3.38 -1.07 -0.55 115.31 118.93 1sa3 h LEU 150 Ca 0.05 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1sa3 h LEU 150 Cb 0.73 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1sa3 h LEU 150 CO 0.06 0.91 0.28 0.40 0.09 0.00 0.00 178.44 180.18 1sa3 h ILE 151 N 0.52 1.22 -0.43 1.22 2.04 -1.31 -2.01 117.51 118.76 1sa3 h ILE 151 Ca 0.10 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1sa3 h ILE 151 Cb 0.59 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1sa3 h ILE 151 CO 0.04 0.25 0.20 -0.09 0.00 0.00 0.00 178.15 178.55 1sa3 h ARG 152 N 0.83 0.59 -0.38 2.37 2.43 -0.84 -1.17 114.38 118.21 1sa3 h ARG 152 Ca 0.21 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1sa3 h ARG 152 Cb 0.14 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1sa3 h ARG 152 CO -0.02 0.47 0.04 -0.22 -1.51 0.00 0.00 179.97 178.73 1sa3 h LYS 153 N 0.60 0.64 -0.98 0.20 3.64 -0.42 0.11 116.57 120.35 1sa3 h LYS 153 Ca 0.15 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1sa3 h LYS 153 Cb 0.07 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1sa3 h LYS 153 CO -0.02 0.71 0.63 1.25 -2.27 0.00 0.00 179.45 179.75 1sa3 h HIS 154 N 0.47 1.24 -0.39 1.91 2.76 -0.69 0.51 115.15 120.96 1sa3 h HIS 154 Ca 0.11 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1sa3 h HIS 154 Cb 0.39 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1sa3 h HIS 154 CO 0.03 0.79 -0.03 0.37 -1.30 0.00 0.00 177.93 177.80 1sa3 h GLN 155 N 1.33 0.71 -0.33 5.26 4.15 -0.86 -0.01 115.11 125.37 1sa3 h GLN 155 Ca 0.36 -0.24 -0.13 0.00 0.77 0.00 0.00 58.65 59.41 1sa3 h GLN 155 Cb -0.13 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 1sa3 h GLN 155 CO -0.07 0.82 -0.32 -0.91 -1.93 0.00 0.00 178.83 176.41 1sa3 h ASN 156 N 0.53 0.75 0.81 -0.69 2.35 -0.48 -2.98 115.58 115.87 1sa3 h ASN 156 Ca 0.11 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1sa3 h ASN 156 Cb 0.51 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1sa3 h ASN 156 CO 0.03 1.01 -0.19 0.47 -1.65 0.00 0.00 177.43 177.09 1sa3 n ASP 157 N -4.07 0.20 -1.24 5.81 8.00 0.13 -4.92 116.55 120.45 1sa3 n ASP 157 Ca -0.01 0.21 -0.16 0.00 0.71 0.00 0.00 54.79 55.54 1sa3 n ASP 157 Cb 0.48 -0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 41.30 1sa3 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sa3 n GLN 158 N -1.50 -1.32 0.00 -1.24 6.02 -0.04 -4.86 117.38 114.43 1sa3 n GLN 158 Ca 0.06 1.06 0.00 0.00 -0.01 0.00 0.00 57.00 58.12 1sa3 n GLN 158 Cb 0.34 -5.34 0.00 0.00 1.02 0.00 0.00 30.24 26.26 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 -0.94 0.00 -1.22 1.08 3.41 -1.07 -4.22 113.62 110.66 1sa3 n SER 159 Ca -0.16 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.55 1sa3 n SER 159 Cb 0.58 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.82 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 -0.07 2.50 0.26 7.33 0.00 -1.26 -4.54 120.51 124.72 1sa3 n ALA 160 Ca 0.00 -1.37 0.18 0.00 0.00 0.00 0.00 53.44 52.25 1sa3 n ALA 160 Cb 0.00 -0.82 0.91 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 3.63 0.00 -0.02 0.00 2.10 -1.95 -1.26 116.57 119.07 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 1.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 1sa3 h LYS 161 CO 0.06 0.00 -0.23 1.28 -2.00 0.00 0.00 179.45 178.55 1sa3 n LEU 162 N -3.54 2.04 -4.78 7.07 4.77 -1.26 -4.93 117.00 116.38 1sa3 n LEU 162 Ca -0.00 -0.69 -0.37 0.00 -0.03 0.00 0.00 56.01 54.92 1sa3 n LEU 162 Cb 0.26 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1sa3 n LEU 162 CO 0.24 0.36 0.79 -0.36 -1.33 0.00 0.00 177.39 177.09 1sa3 s PHE 163 N -2.28 3.00 0.42 -1.77 0.40 -0.48 -5.03 117.98 112.24 1sa3 s PHE 163 Ca 0.25 1.57 -0.06 0.00 -0.60 0.00 0.00 56.93 58.09 1sa3 s PHE 163 Cb 0.19 -3.28 -0.05 0.00 0.51 0.00 0.00 43.02 40.40 1sa3 s PHE 163 CO 0.45 -1.20 0.73 0.95 0.70 0.00 0.00 175.22 176.85 1sa3 s THR 164 N -1.61 4.91 0.36 0.64 -4.23 -1.26 -4.88 115.64 109.56 1sa3 s THR 164 Ca 0.62 0.24 0.12 0.00 -1.18 0.00 0.00 61.69 61.50 1sa3 s THR 164 Cb -0.26 -3.81 0.35 0.00 1.34 0.00 0.00 72.50 70.12 1sa3 s THR 164 CO 0.31 -0.66 1.79 -0.65 -0.54 0.00 0.00 174.62 174.87 1sa3 h PRO 165 N 0.76 0.55 0.13 3.99 0.11 -1.98 -0.28 132.00 135.27 1sa3 h PRO 165 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1sa3 h PRO 165 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sa3 h PRO 165 CO 0.63 0.36 -0.06 0.28 -0.21 0.00 0.00 178.00 178.99 1sa3 h VAL 166 N 0.56 0.92 -0.98 3.15 2.07 -1.99 -1.76 116.25 118.22 1sa3 h VAL 166 Ca 0.57 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.99 1sa3 h VAL 166 Cb 1.17 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.91 1sa3 h VAL 166 CO -0.32 0.05 0.62 1.56 0.02 0.00 0.00 177.57 179.49 1sa3 h GLN 167 N -0.27 1.02 -0.42 1.57 4.20 -1.46 0.15 115.11 119.90 1sa3 h GLN 167 Ca -0.02 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1sa3 h GLN 167 Cb 0.22 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1sa3 h GLN 167 CO 0.03 0.67 0.09 0.87 -0.67 0.00 0.00 178.83 179.82 1sa3 h LYS 168 N 1.05 0.68 -0.46 1.46 1.57 -1.10 -1.06 116.57 118.70 1sa3 h LYS 168 Ca 0.46 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.99 1sa3 h LYS 168 Cb 0.34 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1sa3 h LYS 168 CO -0.23 0.70 -0.03 1.96 -0.57 0.00 0.00 179.45 181.29 1sa3 h GLN 169 N 0.55 0.78 -0.17 3.15 4.20 -0.43 -2.37 115.11 120.82 1sa3 h GLN 169 Ca 0.13 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1sa3 h GLN 169 Cb 0.34 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1sa3 h GLN 169 CO 0.00 0.81 0.07 -0.09 -0.67 0.00 0.00 178.83 178.95 1sa3 h ARG 170 N 0.72 0.25 -0.16 1.46 9.65 -0.44 -1.16 114.38 124.70 1sa3 h ARG 170 Ca 0.14 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 1sa3 h ARG 170 Cb 0.49 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 1sa3 h ARG 170 CO 0.02 0.32 -0.07 1.25 2.80 0.00 0.00 179.97 184.29 1sa3 h LEU 171 N 0.12 -0.25 -0.62 3.80 5.85 -1.03 0.07 115.31 123.25 1sa3 h LEU 171 Ca 0.06 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1sa3 h LEU 171 Cb 0.16 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 1sa3 h LEU 171 CO -0.01 -0.10 0.30 0.74 -0.34 0.00 0.00 178.44 179.03 1sa3 h THR 172 N -0.06 0.88 -0.04 1.05 2.02 -1.27 -0.15 112.91 115.34 1sa3 h THR 172 Ca 0.09 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1sa3 h THR 172 Cb 0.19 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1sa3 h THR 172 CO -0.19 0.10 0.03 -0.08 0.37 0.00 0.00 175.52 175.74 1sa3 h GLU 173 N 0.54 0.05 0.00 6.66 4.81 -0.44 -2.20 114.58 124.00 1sa3 h GLU 173 Ca 0.30 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 1sa3 h GLU 173 Cb 0.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1sa3 h GLU 173 CO -0.23 0.04 -0.29 -0.07 -0.73 0.00 0.00 179.01 177.73 1sa3 h LEU 174 N 0.04 0.00 0.00 1.64 3.38 -0.58 -3.06 115.31 116.74 1sa3 h LEU 174 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1sa3 h LEU 174 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1sa3 h LEU 174 CO -0.00 0.29 -0.63 0.25 0.09 0.00 0.00 178.44 178.44 1sa3 h LEU 175 N 0.00 0.00 -0.98 1.67 5.85 -0.86 -3.38 115.31 117.61 1sa3 h LEU 175 Ca -0.00 0.00 0.27 0.00 0.84 0.00 0.00 57.88 58.98 1sa3 h LEU 175 Cb 0.68 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.53 1sa3 h LEU 175 CO 0.04 0.25 0.01 1.21 -0.34 0.00 0.00 178.44 179.61 1sa3 n GLU 176 N -3.00 -0.08 0.24 1.25 0.00 -0.84 0.30 120.64 118.51 1sa3 n GLU 176 Ca 0.00 1.46 0.10 0.00 0.00 0.00 0.00 57.16 58.72 1sa3 n GLU 176 Cb 0.65 -2.32 0.62 0.00 0.00 0.00 0.00 31.44 30.39 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 -2.97 132.00 132.62 1sa3 h PRO 177 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 1sa3 h PRO 177 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sa3 h PRO 177 CO -0.92 0.17 -0.09 0.66 -0.21 0.00 0.00 178.00 177.61 1sa3 n TYR 178 N -3.84 0.00 -0.37 0.65 4.02 0.15 -4.71 117.16 113.05 1sa3 n TYR 178 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.79 1sa3 n TYR 178 Cb 0.27 -0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.51 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 1.00 -0.37 -0.10 -0.72 1.74 -0.82 0.19 116.66 117.58 1sa3 n ARG 179 Ca 0.13 1.36 -0.10 0.00 -0.77 0.00 0.00 57.85 58.48 1sa3 n ARG 179 Cb 0.56 -2.01 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 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 0.47 -0.54 5.56 5.08 -1.85 -1.89 114.58 121.41 1sa3 h GLU 180 Ca 0.17 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1sa3 h GLU 180 Cb 0.39 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1sa3 h GLU 180 CO -0.85 0.45 0.32 0.00 -1.00 0.00 0.00 179.01 177.93 1sa3 h ARG 181 N 0.38 0.73 -0.08 2.33 3.08 -1.50 -0.40 114.38 118.92 1sa3 h ARG 181 Ca 0.11 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1sa3 h ARG 181 Cb 0.14 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1sa3 h ARG 181 CO -0.01 0.54 -0.15 0.35 -1.07 0.00 0.00 179.97 179.62 1sa3 h PHE 182 N 0.72 -0.39 0.23 3.04 3.57 -0.09 0.53 116.94 124.56 1sa3 h PHE 182 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1sa3 h PHE 182 Cb -0.00 0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1sa3 h PHE 182 CO -0.02 -0.22 -0.11 0.82 -2.23 0.00 0.00 178.31 176.55 1sa3 h ILE 183 N -0.21 0.81 -0.67 1.41 2.04 -1.10 -1.65 117.51 118.15 1sa3 h ILE 183 Ca 0.08 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.76 1sa3 h ILE 183 Cb 0.32 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1sa3 h ILE 183 CO -0.20 0.05 0.41 -0.09 0.00 0.00 0.00 178.15 178.31 1sa3 h ARG 184 N -0.41 0.76 -0.43 2.37 2.43 -0.95 -2.44 114.38 115.72 1sa3 h ARG 184 Ca -0.03 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 1sa3 h ARG 184 Cb 0.31 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1sa3 h ARG 184 CO 0.05 0.51 -0.21 2.35 -1.51 0.00 0.00 179.97 181.15 1sa3 h TRP 185 N 0.79 0.97 -0.71 2.20 7.01 -0.85 -0.65 115.95 124.69 1sa3 h TRP 185 Ca 0.27 -0.22 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 1sa3 h TRP 185 Cb 0.06 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 1sa3 h TRP 185 CO -0.05 0.98 0.37 0.00 -2.79 0.00 0.00 178.44 176.95 1sa3 n VAL 187 N -4.35 0.00 0.00 0.00 0.24 -0.97 -4.58 118.33 108.66 1sa3 n VAL 187 Ca 0.07 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1sa3 n VAL 187 Cb 0.11 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 -1.39 0.00 -1.05 3.34 -2.24 -0.26 -4.80 114.28 107.88 1sa3 n THR 188 Ca 0.05 -0.17 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1sa3 n THR 188 Cb 0.34 0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.62 0.05 -3.71 3.22 4.77 0.15 -4.56 117.00 116.30 1sa3 n LEU 189 Ca 0.00 0.04 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 1sa3 n LEU 189 Cb 0.00 -1.03 -0.17 0.00 -2.33 0.00 0.00 43.42 39.89 1sa3 n LEU 189 CO 0.00 -0.26 -0.34 -0.60 -1.33 0.00 0.00 177.39 174.87 1sa3 s ARG 190 N -1.11 -0.05 0.32 3.23 3.52 -1.26 -4.96 118.95 118.64 1sa3 s ARG 190 Ca 0.00 0.31 0.07 0.00 -0.13 0.00 0.00 55.73 55.98 1sa3 s ARG 190 Cb 0.00 -0.38 0.55 0.00 -1.56 0.00 0.00 34.95 33.56 1sa3 s ARG 190 CO 0.00 -0.26 1.77 0.00 -0.81 0.00 0.00 175.30 176.00 1sa3 h ALA 191 N 7.93 1.23 -2.25 6.12 0.00 -1.83 -3.18 119.26 127.28 1sa3 h ALA 191 Ca -0.27 -0.34 -0.47 0.00 0.00 0.00 0.00 54.91 53.82 1sa3 h ALA 191 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1sa3 h ALA 191 CO 0.29 0.52 -0.36 -1.21 0.00 0.00 0.00 179.25 178.49 1sa3 s GLU 192 N -4.35 3.46 0.39 0.00 8.01 -1.26 -4.56 118.70 120.39 1sa3 s GLU 192 Ca -0.05 -0.60 -0.27 0.00 0.01 0.00 0.00 54.97 54.06 1sa3 s GLU 192 Cb 0.14 -2.82 -0.11 0.00 -4.31 0.00 0.00 34.13 27.03 1sa3 s GLU 192 CO 0.76 0.35 1.37 1.63 0.01 0.00 0.00 175.26 179.38 1sa3 n LYS 193 N -1.42 2.27 -4.11 1.61 5.02 -1.26 -5.01 118.16 115.26 1sa3 n LYS 193 Ca -0.07 0.80 -0.13 0.00 -2.02 0.00 0.00 58.31 56.89 1sa3 n LYS 193 Cb 0.56 -2.50 -0.11 0.00 -0.02 0.00 0.00 35.03 32.96 1sa3 n LYS 193 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1sa3 s SER 194 N -0.33 1.07 -0.20 4.39 0.15 -1.26 -5.16 113.70 112.36 1sa3 s SER 194 Ca 0.57 -0.72 -0.11 0.00 0.70 0.00 0.00 55.95 56.40 1sa3 s SER 194 Cb -0.50 0.04 0.07 0.00 -1.71 0.00 0.00 66.02 63.92 1sa3 s SER 194 CO 0.61 -0.28 0.48 -0.70 1.20 0.00 0.00 173.24 174.55 1sa3 s GLU 195 N -2.39 0.46 0.00 5.44 2.12 -1.26 -4.90 118.70 118.17 1sa3 s GLU 195 Ca -0.01 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1sa3 s GLU 195 Cb -0.05 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.42 1sa3 s GLU 195 CO -0.01 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1sa3 n GLY 196 N 4.44 0.34 3.54 -1.50 0.00 -1.26 -4.98 105.19 105.77 1sa3 n GLY 196 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.07 6.25 0.61 1.61 3.84 -1.26 -4.81 114.94 119.10 1sa3 s ASN 197 Ca 0.00 -0.22 0.34 0.00 0.21 0.00 0.00 52.86 53.19 1sa3 s ASN 197 Cb 0.00 -2.24 1.85 0.00 -0.55 0.00 0.00 41.25 40.31 1sa3 s ASN 197 CO 0.00 -0.46 2.04 -0.29 -2.79 0.00 0.00 177.10 175.60 1sa3 h ILE 198 N 5.62 0.00 0.00 -5.21 2.10 -1.94 -0.57 117.51 117.50 1sa3 h ILE 198 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.66 1sa3 h ILE 198 Cb 1.13 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.61 1sa3 h ILE 198 CO 0.75 0.00 0.00 -0.07 -1.08 0.00 0.00 178.15 177.75 1sa3 h LEU 199 N 0.00 0.00 -7.68 2.19 3.38 -1.98 -3.43 115.31 107.79 1sa3 h LEU 199 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1sa3 h LEU 199 Cb 0.32 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.71 1sa3 h LEU 199 CO 0.00 0.00 -0.79 -1.00 0.09 0.00 0.00 178.44 176.74 1sa3 s HIS 200 N -3.25 1.04 0.42 1.13 3.76 -0.22 -4.17 115.29 114.00 1sa3 s HIS 200 Ca 0.07 -0.40 -0.26 0.00 -0.15 0.00 0.00 55.06 54.31 1sa3 s HIS 200 Cb 0.09 -0.93 -0.10 0.00 1.11 0.00 0.00 32.58 32.75 1sa3 s HIS 200 CO 0.59 -0.34 1.43 -2.30 -0.85 0.00 0.00 174.74 173.27 1sa3 n PRO 201 N 4.63 2.37 -0.08 8.40 -0.02 -1.26 -4.56 135.00 144.48 1sa3 n PRO 201 Ca -0.15 0.84 -0.07 0.00 -2.02 0.00 0.00 63.50 62.10 1sa3 n PRO 201 Cb 0.50 -2.61 -0.14 0.00 -0.02 0.00 0.00 33.50 31.23 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 0.13 0.52 -4.13 2.55 8.00 0.53 -4.89 116.55 119.27 1sa3 n ASP 202 Ca 0.04 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.30 1sa3 n ASP 202 Cb 0.40 1.04 -0.15 0.00 -0.02 0.00 0.00 41.12 42.39 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 -5.24 2.00 -0.31 0.64 1.43 -1.14 -2.26 118.68 113.80 1sa3 s LEU 203 Ca -0.09 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1sa3 s LEU 203 Cb 0.06 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.47 1sa3 s LEU 203 CO 0.75 0.18 0.10 -0.76 0.23 0.00 0.00 176.35 176.85 1sa3 s LEU 204 N -0.28 4.06 -0.22 1.79 1.43 0.43 -1.89 118.68 124.00 1sa3 s LEU 204 Ca 0.04 -0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 52.21 1sa3 s LEU 204 Cb -0.07 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1sa3 s LEU 204 CO -0.00 -0.25 0.10 -0.63 0.23 0.00 0.00 176.35 175.80 1sa3 s ILE 205 N 1.48 4.86 -0.23 -0.59 1.01 0.09 -1.68 121.20 126.13 1sa3 s ILE 205 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1sa3 s ILE 205 Cb -0.18 -3.23 0.06 0.00 0.01 0.00 0.00 42.46 39.12 1sa3 s ILE 205 CO 0.03 0.39 -0.05 -0.13 0.00 0.00 0.00 174.94 175.18 1sa3 s ARG 206 N 0.90 1.60 -0.14 2.79 1.81 0.44 -1.46 118.95 124.89 1sa3 s ARG 206 Ca 0.05 -0.96 -0.20 0.00 -1.72 0.00 0.00 55.73 52.90 1sa3 s ARG 206 Cb -0.14 -2.56 -0.03 0.00 -0.45 0.00 0.00 34.95 31.77 1sa3 s ARG 206 CO 0.03 -0.59 0.57 -0.06 -0.68 0.00 0.00 175.30 174.56 1sa3 s PHE 207 N 1.41 3.46 -0.28 -0.53 0.40 -0.29 -1.12 117.98 121.04 1sa3 s PHE 207 Ca -0.06 0.94 -0.20 0.00 -0.60 0.00 0.00 56.93 57.02 1sa3 s PHE 207 Cb -0.19 -2.69 -0.02 0.00 0.51 0.00 0.00 43.02 40.64 1sa3 s PHE 207 CO -0.06 0.01 0.62 -1.14 0.70 0.00 0.00 175.22 175.35 1sa3 s GLN 208 N 1.18 4.01 -0.10 0.44 0.74 0.50 -1.26 119.66 125.17 1sa3 s GLN 208 Ca 0.28 0.42 0.01 0.00 0.05 0.00 0.00 55.36 56.12 1sa3 s GLN 208 Cb -0.16 -3.69 0.02 0.00 1.10 0.00 0.00 33.01 30.29 1sa3 s GLN 208 CO 0.12 -0.48 -0.10 0.08 -0.55 0.00 0.00 175.29 174.35 1sa3 s VAL 209 N 2.54 1.16 -0.07 1.34 1.01 0.13 -0.51 120.40 125.99 1sa3 s VAL 209 Ca 0.25 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1sa3 s VAL 209 Cb -0.15 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1sa3 s VAL 209 CO 0.10 0.38 -0.18 -0.63 0.00 0.00 0.00 175.10 174.77 1sa3 s ILE 210 N 1.33 1.55 -1.44 2.22 1.01 0.04 -3.40 121.20 122.51 1sa3 s ILE 210 Ca -0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 1sa3 s ILE 210 Cb -0.14 -1.36 0.05 0.00 0.01 0.00 0.00 42.46 41.02 1sa3 s ILE 210 CO -0.05 0.45 0.95 0.47 0.00 0.00 0.00 174.94 176.76 1sa3 n ASP 211 N 3.56 -4.13 0.00 3.58 8.00 -1.26 -1.36 116.55 124.94 1sa3 n ASP 211 Ca -0.20 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1sa3 n ASP 211 Cb 0.52 -4.16 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 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 -4.63 0.00 -4.27 -1.24 1.74 -1.26 -5.01 116.66 101.99 1sa3 n ARG 212 Ca -0.05 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.72 1sa3 n ARG 212 Cb 0.57 -2.55 -0.10 0.00 -1.02 0.00 0.00 32.46 29.37 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 -0.12 2.35 0.30 5.56 0.41 -0.46 -5.09 118.70 121.64 1sa3 s GLU 213 Ca 0.00 -0.90 -0.30 0.00 -0.41 0.00 0.00 54.97 53.37 1sa3 s GLU 213 Cb 0.00 -2.42 -0.11 0.00 -1.78 0.00 0.00 34.13 29.82 1sa3 s GLU 213 CO 0.00 0.54 1.55 -0.47 -0.49 0.00 0.00 175.26 176.39 1sa3 s TYR 214 N -1.18 2.77 -0.02 1.61 5.04 -1.26 -0.78 117.35 123.52 1sa3 s TYR 214 Ca 0.21 0.88 -0.02 0.00 -2.44 0.00 0.00 57.07 55.71 1sa3 s TYR 214 Cb -0.11 -4.02 -0.01 0.00 0.35 0.00 0.00 41.96 38.16 1sa3 s TYR 214 CO 0.13 -3.34 -0.04 0.28 -1.34 0.00 0.00 175.55 171.24 1sa3 n VAL 215 N 1.91 0.30 -3.88 3.14 0.31 0.33 -4.16 118.33 116.28 1sa3 n VAL 215 Ca 0.07 -0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.37 1sa3 n VAL 215 Cb 0.38 -1.56 0.02 0.00 -0.91 0.00 0.00 33.84 31.77 1sa3 n VAL 215 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sa3 s ASP 216 N -5.38 -0.00 0.02 4.52 2.15 -1.13 -4.92 116.67 111.93 1sa3 s ASP 216 Ca -0.05 -0.61 -0.01 0.00 0.43 0.00 0.00 52.55 52.31 1sa3 s ASP 216 Cb 0.02 0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 43.08 1sa3 s ASP 216 CO 0.06 -0.91 -0.01 0.54 -0.17 0.00 0.00 175.17 174.68 1sa3 s VAL 217 N -2.21 0.10 -0.06 1.11 0.11 -1.26 -0.37 120.40 117.82 1sa3 s VAL 217 Ca 0.22 -0.83 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1sa3 s VAL 217 Cb -0.02 -0.27 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1sa3 s VAL 217 CO 0.04 -0.45 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.38 1sa3 s THR 218 N -1.36 0.91 -0.12 5.04 2.01 -0.27 -4.98 115.64 116.86 1sa3 s THR 218 Ca -0.15 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 61.51 1sa3 s THR 218 Cb -0.09 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1sa3 s THR 218 CO -0.01 0.30 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.50 1sa3 s ILE 219 N 0.74 1.14 -0.00 1.82 1.01 -1.26 -0.42 121.20 124.23 1sa3 s ILE 219 Ca -0.14 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.19 1sa3 s ILE 219 Cb -0.15 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1sa3 s ILE 219 CO 0.02 0.39 -0.16 -0.54 0.00 0.00 0.00 174.94 174.65 1sa3 s LYS 220 N 1.56 1.25 0.64 2.79 -0.14 -0.68 -4.77 119.74 120.39 1sa3 s LYS 220 Ca 0.03 -0.60 -0.10 0.00 -1.36 0.00 0.00 55.97 53.94 1sa3 s LYS 220 Cb -0.13 -1.22 -0.01 0.00 -1.68 0.00 0.00 37.83 34.79 1sa3 s LYS 220 CO -0.08 0.33 1.01 0.54 -0.76 0.00 0.00 175.35 176.40 1sa3 s ASN 221 N -0.48 5.78 0.26 2.83 2.20 -1.26 -0.43 114.94 123.83 1sa3 s ASN 221 Ca 0.06 1.11 -0.04 0.00 -0.94 0.00 0.00 52.86 53.05 1sa3 s ASN 221 Cb -0.06 -2.07 0.36 0.00 -2.00 0.00 0.00 41.25 37.48 1sa3 s ASN 221 CO -0.00 -1.08 1.89 0.40 -2.94 0.00 0.00 177.10 175.37 1sa3 h ILE 222 N -0.38 1.12 -0.51 0.54 1.08 -1.79 -1.95 117.51 115.62 1sa3 h ILE 222 Ca -0.45 -0.41 0.04 0.00 -0.39 0.00 0.00 64.86 63.65 1sa3 h ILE 222 Cb 1.23 -0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 1sa3 h ILE 222 CO 0.63 0.22 0.27 0.44 -0.69 0.00 0.00 178.15 179.02 1sa3 h ASP 223 N 1.19 0.42 -0.48 1.72 3.32 -1.93 -0.93 116.42 119.73 1sa3 h ASP 223 Ca 0.41 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.35 1sa3 h ASP 223 Cb 0.09 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1sa3 h ASP 223 CO -0.15 0.29 -0.22 0.44 -1.72 0.00 0.00 179.24 177.87 1sa3 h ASP 224 N 0.54 1.03 -0.39 6.45 3.32 -1.86 -1.46 116.42 124.05 1sa3 h ASP 224 Ca 0.22 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1sa3 h ASP 224 Cb 0.09 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1sa3 h ASP 224 CO -0.13 1.20 0.22 0.22 -1.72 0.00 0.00 179.24 179.03 1sa3 h TYR 225 N 0.86 0.42 -0.15 4.55 3.20 -1.01 0.14 116.97 124.99 1sa3 h TYR 225 Ca 0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1sa3 h TYR 225 Cb 0.80 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1sa3 h TYR 225 CO 0.05 0.24 0.10 0.28 -1.64 0.00 0.00 178.16 177.19 1sa3 h VAL 226 N 0.45 1.04 -0.52 1.81 2.07 -1.06 -0.82 116.25 119.23 1sa3 h VAL 226 Ca 0.16 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.67 1sa3 h VAL 226 Cb 0.02 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1sa3 h VAL 226 CO -0.08 0.04 0.20 0.28 0.02 0.00 0.00 177.57 178.03 1sa3 h SER 227 N 0.20 0.23 -0.63 0.57 0.02 -0.80 0.68 113.55 113.81 1sa3 h SER 227 Ca 0.05 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1sa3 h SER 227 Cb -0.02 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1sa3 h SER 227 CO -0.01 0.16 0.41 0.44 -1.14 0.00 0.00 176.83 176.69 1sa3 h ASP 228 N 0.39 0.71 -0.15 3.07 3.32 -0.27 -1.07 116.42 122.43 1sa3 h ASP 228 Ca 0.25 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 1sa3 h ASP 228 Cb 0.24 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1sa3 h ASP 228 CO -0.23 0.51 -0.29 0.03 -1.72 0.00 0.00 179.24 177.53 1sa3 h ARG 229 N 0.84 0.63 -0.24 3.56 2.47 -0.54 -1.88 114.38 119.22 1sa3 h ARG 229 Ca 0.24 -0.27 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1sa3 h ARG 229 Cb -0.07 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 1sa3 h ARG 229 CO -0.06 0.85 0.05 0.82 0.56 0.00 0.00 179.97 182.19 1sa3 h ILE 230 N 0.54 1.22 -0.64 2.04 1.08 -0.46 0.31 117.51 121.60 1sa3 h ILE 230 Ca 0.07 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 1sa3 h ILE 230 Cb 0.78 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 1sa3 h ILE 230 CO 0.06 0.23 0.37 0.00 -0.69 0.00 0.00 178.15 178.12 1sa3 h ALA 231 N 0.86 0.82 -0.60 1.87 0.00 -1.13 -0.50 119.26 120.58 1sa3 h ALA 231 Ca 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sa3 h ALA 231 Cb 0.30 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1sa3 h ALA 231 CO 0.00 0.31 0.26 1.49 0.00 0.00 0.00 179.25 181.31 1sa3 h GLU 232 N 0.87 0.88 0.00 0.00 4.81 -1.20 -2.85 114.58 117.09 1sa3 h GLU 232 Ca 0.23 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1sa3 h GLU 232 Cb 0.01 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1sa3 h GLU 232 CO -0.04 0.74 0.00 0.41 -0.73 0.00 0.00 179.01 179.39 1sa3 n GLY 233 N -0.87 -1.46 0.12 1.92 0.00 0.09 -3.11 105.19 101.89 1sa3 n GLY 233 Ca 0.04 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.98 1.61 0.02 -0.86 -3.35 113.55 106.99 1sa3 h SER 234 Ca 0.00 -0.05 -0.53 0.00 -0.84 0.00 0.00 61.79 60.37 1sa3 h SER 234 Cb 0.53 0.00 0.20 0.00 0.14 0.00 0.00 62.40 63.27 1sa3 h SER 234 CO 0.00 0.03 -0.02 0.29 -1.14 0.00 0.00 176.83 175.99 1sa3 n LYS 235 N -2.48 -0.33 -0.33 3.45 4.01 -1.18 -4.74 118.16 116.56 1sa3 n LYS 235 Ca 0.04 -0.04 0.25 0.00 -0.51 0.00 0.00 58.31 58.06 1sa3 n LYS 235 Cb 0.47 -2.22 0.47 0.00 -0.51 0.00 0.00 35.03 33.25 1sa3 n LYS 235 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sa3 h ALA 236 N -1.67 1.79 0.00 7.82 0.00 -1.91 0.72 119.26 126.01 1sa3 h ALA 236 Ca -0.43 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1sa3 h ALA 236 Cb 1.28 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1sa3 h ALA 236 CO 0.40 -0.80 -0.09 -0.09 0.00 0.00 0.00 179.25 178.66 1sa3 h ARG 237 N 0.01 0.00 -5.86 0.00 9.65 -1.92 -3.47 114.38 112.79 1sa3 h ARG 237 Ca 0.75 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 59.28 1sa3 h ARG 237 Cb 1.85 0.00 0.12 0.00 -1.39 0.00 0.00 29.97 30.55 1sa3 h ARG 237 CO -0.83 0.09 -0.85 1.63 2.80 0.00 0.00 179.97 182.81 1sa3 n LYS 238 N -3.20 -3.66 -1.58 0.20 4.01 0.25 -4.85 118.16 109.32 1sa3 n LYS 238 Ca 0.01 0.70 -0.49 0.00 -0.51 0.00 0.00 58.31 58.02 1sa3 n LYS 238 Cb 0.38 -5.27 -0.04 0.00 -0.51 0.00 0.00 35.03 29.59 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 -3.93 1.17 -3.81 1.97 -0.02 -1.26 -1.65 135.00 127.47 1sa3 n PRO 239 Ca -0.19 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.42 1sa3 n PRO 239 Cb 0.64 -1.92 0.03 0.00 -0.02 0.00 0.00 33.50 32.24 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 2.02 -0.51 3.83 -1.23 0.00 -1.18 -1.55 105.19 106.57 1sa3 n GLY 240 Ca 0.15 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.71 -2.45 0.00 1.61 3.72 -0.66 -1.48 117.46 113.49 1sa3 n PHE 241 Ca 0.03 0.93 0.00 0.00 -0.05 0.00 0.00 57.45 58.36 1sa3 n PHE 241 Cb 0.53 -4.23 0.00 0.00 -0.94 0.00 0.00 39.48 34.84 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 -1.77 1.42 0.05 1.37 0.00 -0.66 -4.53 105.19 101.07 1sa3 n GLY 242 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1sa3 n GLY 242 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sa3 n THR 243 N -2.00 0.25 -0.72 2.61 -2.24 -0.55 -4.42 114.28 107.22 1sa3 n THR 243 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1sa3 n THR 243 Cb 0.00 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1sa3 n THR 243 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sa3 n GLY 244 N 1.40 1.01 3.94 3.38 0.00 -0.60 -4.47 105.19 109.86 1sa3 n GLY 244 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 4.16 -0.35 0.99 1.43 -1.26 -4.85 118.68 118.80 1sa3 s LEU 245 Ca 0.00 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.33 1sa3 s LEU 245 Cb 0.00 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 1sa3 s LEU 245 CO 0.00 -0.15 0.33 0.20 0.23 0.00 0.00 176.35 176.96 1sa3 s ASN 246 N -3.63 6.14 -0.17 2.29 0.02 -0.28 -3.08 114.94 116.23 1sa3 s ASN 246 Ca 0.38 -0.37 -0.22 0.00 -1.02 0.00 0.00 52.86 51.64 1sa3 s ASN 246 Cb -0.10 -2.18 -0.03 0.00 0.02 0.00 0.00 41.25 38.96 1sa3 s ASN 246 CO 0.32 -0.34 0.67 0.26 0.02 0.00 0.00 177.10 178.02 1sa3 s TRP 247 N 1.92 3.41 0.00 2.20 0.52 -1.26 -1.25 118.94 124.48 1sa3 s TRP 247 Ca 0.10 1.02 0.00 0.00 0.02 0.00 0.00 56.10 57.24 1sa3 s TRP 247 Cb -0.17 -2.83 0.00 0.00 -1.15 0.00 0.00 33.47 29.32 1sa3 s TRP 247 CO 0.11 -0.14 0.00 -2.37 0.02 0.00 0.00 176.95 174.57 1sa3 n THR 248 N 4.56 0.00 -4.32 2.01 5.66 0.06 -4.91 114.28 117.34 1sa3 n THR 248 Ca -0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 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 -1.21 1.88 -0.26 1.09 1.13 -1.26 -1.20 117.35 117.52 1sa3 s TYR 249 Ca 0.00 -0.43 -0.21 0.00 -1.41 0.00 0.00 57.07 55.02 1sa3 s TYR 249 Cb 0.00 -0.98 -0.02 0.00 -1.10 0.00 0.00 41.96 39.86 1sa3 s TYR 249 CO 0.00 0.29 0.64 0.00 -2.51 0.00 0.00 175.55 173.97 1sa3 s ALA 250 N -1.56 3.61 -1.70 9.51 0.00 -0.64 -4.61 121.76 126.38 1sa3 s ALA 250 Ca 0.12 -0.43 0.29 0.00 0.00 0.00 0.00 51.96 51.94 1sa3 s ALA 250 Cb -0.08 -3.05 1.18 0.00 0.00 0.00 0.00 23.12 21.17 1sa3 s ALA 250 CO 0.06 -0.83 1.83 -1.13 0.00 0.00 0.00 175.76 175.69 1sa3 n SER 251 N 5.74 0.56 0.02 0.00 3.41 -1.26 -4.39 113.62 117.70 1sa3 n SER 251 Ca -0.00 -0.65 0.03 0.00 -0.26 0.00 0.00 58.87 57.99 1sa3 n SER 251 Cb 0.49 -0.05 0.40 0.00 -0.26 0.00 0.00 64.21 64.79 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 4.96 0.51 -1.20 5.00 0.00 -1.95 -3.46 103.07 106.93 1sa3 h GLY 252 Ca 0.00 -0.23 -0.58 0.00 0.00 0.00 0.00 47.33 46.52 1sa3 h GLY 252 CO 0.00 0.22 -0.54 -1.35 0.00 0.00 0.00 176.54 174.86 1sa3 s SER 253 N -6.74 3.21 0.14 0.19 1.04 -1.26 -5.05 113.70 105.24 1sa3 s SER 253 Ca -0.08 -1.57 -0.12 0.00 0.48 0.00 0.00 55.95 54.66 1sa3 s SER 253 Cb 0.17 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1sa3 s SER 253 CO 0.74 -0.79 1.48 0.11 0.98 0.00 0.00 173.24 175.76 1sa3 h LYS 254 N 1.73 0.91 -7.06 4.02 1.57 -1.95 -3.45 116.57 112.34 1sa3 h LYS 254 Ca -0.40 -0.45 -0.51 0.00 -1.87 0.00 0.00 60.65 57.42 1sa3 h LYS 254 Cb 1.28 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.67 1sa3 h LYS 254 CO 0.67 1.11 0.47 0.00 -0.57 0.00 0.00 179.45 181.12 1sa3 s ALA 255 N -4.46 2.77 0.19 3.86 0.00 -1.26 -4.96 121.76 117.90 1sa3 s ALA 255 Ca -0.11 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 1sa3 s ALA 255 Cb 0.11 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 1sa3 s ALA 255 CO 0.87 -0.83 1.32 0.15 0.00 0.00 0.00 175.76 177.27 1sa3 s LYS 256 N -3.08 4.38 -0.08 0.00 -0.14 -1.26 -4.99 119.74 114.57 1sa3 s LYS 256 Ca 0.70 2.07 -0.15 0.00 -1.36 0.00 0.00 55.97 57.23 1sa3 s LYS 256 Cb -0.27 -3.19 0.03 0.00 -1.68 0.00 0.00 37.83 32.71 1sa3 s LYS 256 CO 0.32 -0.28 0.37 0.21 -0.76 0.00 0.00 175.35 175.20 1sa3 s LYS 257 N -0.01 0.58 0.31 1.68 2.20 -1.26 -4.95 119.74 118.29 1sa3 s LYS 257 Ca 0.58 0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 56.25 1sa3 s LYS 257 Cb -0.37 0.27 -0.08 0.00 -1.51 0.00 0.00 37.83 36.14 1sa3 s LYS 257 CO 0.38 -0.13 0.69 -1.64 -0.36 0.00 0.00 175.35 174.29 1sa3 s MET 258 N -0.58 3.89 0.02 4.03 -1.94 -0.72 -1.61 119.30 122.39 1sa3 s MET 258 Ca -0.07 0.50 0.03 0.00 -1.71 0.00 0.00 55.69 54.44 1sa3 s MET 258 Cb -0.04 -2.49 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 1sa3 s MET 258 CO 0.03 0.16 -0.09 -1.14 -0.01 0.00 0.00 175.02 173.97 1sa3 s GLN 259 N -3.13 0.68 -0.03 2.03 0.74 -0.34 -1.28 119.66 118.33 1sa3 s GLN 259 Ca 0.51 -0.53 0.05 0.00 0.05 0.00 0.00 55.36 55.45 1sa3 s GLN 259 Cb -0.10 -0.62 -0.01 0.00 1.10 0.00 0.00 33.01 33.38 1sa3 s GLN 259 CO 0.21 0.16 -0.18 -0.06 -0.55 0.00 0.00 175.29 174.87 1sa3 s PHE 260 N -0.66 1.68 0.06 1.67 0.40 0.22 -0.76 117.98 120.59 1sa3 s PHE 260 Ca -0.01 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 55.98 1sa3 s PHE 260 Cb -0.06 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.32 1sa3 s PHE 260 CO 0.00 -0.11 -0.14 0.15 0.70 0.00 0.00 175.22 175.83 1sa3 s LYS 261 N -0.17 2.16 0.00 0.44 1.02 -0.38 -0.12 119.74 122.70 1sa3 s LYS 261 Ca 0.01 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.05 1sa3 s LYS 261 Cb -0.10 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1sa3 s LYS 261 CO 0.01 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.39