#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs3 s LYS 2 N 0.00 4.03 -0.01 2.12 1.02 -1.26 -5.08 119.74 120.55 2bs3 s LYS 2 Ca 0.00 -0.29 0.03 0.00 0.02 0.00 0.00 55.97 55.72 2bs3 s LYS 2 Cb 0.00 -3.52 -0.00 0.00 -0.52 0.00 0.00 37.83 33.79 2bs3 s LYS 2 CO 0.00 0.04 -0.09 0.08 -0.92 0.00 0.00 175.35 174.46 2bs3 s VAL 3 N 1.11 0.72 -0.06 3.17 1.01 -1.26 -1.88 120.40 123.21 2bs3 s VAL 3 Ca 0.07 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2bs3 s VAL 3 Cb -0.14 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.62 2bs3 s VAL 3 CO 0.05 0.21 -0.18 -1.10 0.00 0.00 0.00 175.10 174.08 2bs3 s GLN 4 N -0.05 2.11 0.07 2.72 -1.52 -0.25 -4.98 119.66 117.76 2bs3 s GLN 4 Ca 0.01 -0.65 0.07 0.00 -1.95 0.00 0.00 55.36 52.84 2bs3 s GLN 4 Cb -0.05 -1.74 -0.04 0.00 -0.22 0.00 0.00 33.01 30.96 2bs3 s GLN 4 CO -0.00 0.19 -0.17 -0.47 -0.25 0.00 0.00 175.29 174.59 2bs3 s TYR 5 N 0.23 2.58 0.09 0.91 6.14 -1.26 -0.90 117.35 125.14 2bs3 s TYR 5 Ca -0.10 -0.24 -0.22 0.00 0.64 0.00 0.00 57.07 57.16 2bs3 s TYR 5 Cb -0.14 -1.43 0.06 0.00 0.42 0.00 0.00 41.96 40.86 2bs3 s TYR 5 CO 0.04 0.31 0.53 0.00 0.64 0.00 0.00 175.55 177.08 2bs3 h ASP 7 N 2.47 0.68 -3.31 0.00 3.32 -1.37 -3.33 116.42 114.88 2bs3 h ASP 7 Ca -0.32 -0.48 -0.55 0.00 0.02 0.00 0.00 57.03 55.71 2bs3 h ASP 7 Cb 1.25 -0.20 -0.38 0.00 0.22 0.00 0.00 39.33 40.21 2bs3 h ASP 7 CO 0.41 1.25 -0.79 -0.44 -1.72 0.00 0.00 179.24 177.95 2bs3 s SER 8 N -7.07 2.76 -0.23 6.45 0.01 -0.58 -2.22 113.70 112.82 2bs3 s SER 8 Ca -0.08 -0.63 -0.09 0.00 1.31 0.00 0.00 55.95 56.46 2bs3 s SER 8 Cb 0.09 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.39 2bs3 s SER 8 CO 0.87 -0.18 0.13 -0.22 0.41 0.00 0.00 173.24 174.25 2bs3 s LEU 9 N 1.65 3.94 -0.16 2.44 2.96 -0.63 -1.89 118.68 126.99 2bs3 s LEU 9 Ca 0.01 0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 53.97 2bs3 s LEU 9 Cb -0.15 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.49 2bs3 s LEU 9 CO -0.08 0.07 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.19 2bs3 s VAL 10 N 1.01 2.71 -0.39 1.68 1.01 0.63 -0.62 120.40 126.42 2bs3 s VAL 10 Ca 0.06 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 2bs3 s VAL 10 Cb -0.14 -2.15 0.05 0.00 0.00 0.00 0.00 36.38 34.14 2bs3 s VAL 10 CO 0.04 0.51 0.21 -0.63 0.00 0.00 0.00 175.10 175.22 2bs3 s ILE 11 N 0.92 4.28 0.00 2.22 1.01 0.91 -0.42 121.20 130.12 2bs3 s ILE 11 Ca -0.03 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.48 2bs3 s ILE 11 Cb -0.15 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.83 2bs3 s ILE 11 CO -0.02 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.19 2bs3 n GLY 12 N 4.93 3.66 2.03 6.18 0.00 0.35 -0.21 105.19 122.13 2bs3 n GLY 12 Ca -0.11 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 2bs3 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs3 n GLY 13 N 0.00 5.88 0.00 -0.02 0.00 -1.25 -4.19 105.19 105.61 2bs3 n GLY 13 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2bs3 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs3 n GLY 14 N -0.88 1.14 0.20 -0.02 0.00 -1.26 -4.62 105.19 99.75 2bs3 n GLY 14 Ca 0.51 -1.95 -0.04 0.00 0.00 0.00 0.00 46.02 44.54 2bs3 n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bs3 h LEU 15 N 0.00 0.34 -0.08 0.99 3.38 -1.93 -1.37 115.31 116.64 2bs3 h LEU 15 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2bs3 h LEU 15 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2bs3 h LEU 15 CO 0.00 0.24 0.01 0.00 0.09 0.00 0.00 178.44 178.78 2bs3 h ALA 16 N 1.28 0.11 -0.25 1.53 0.00 -1.90 -1.58 119.26 118.44 2bs3 h ALA 16 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2bs3 h ALA 16 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2bs3 h ALA 16 CO -0.17 -0.24 0.07 0.78 0.00 0.00 0.00 179.25 179.69 2bs3 h GLY 17 N -0.11 0.42 1.00 0.00 0.00 -1.70 -1.67 103.07 101.01 2bs3 h GLY 17 Ca 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2bs3 h GLY 17 CO 0.00 0.24 0.28 1.41 0.00 0.00 0.00 176.54 178.47 2bs3 h LEU 18 N 0.22 0.87 -0.95 3.11 3.38 -1.30 -1.00 115.31 119.65 2bs3 h LEU 18 Ca 0.08 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2bs3 h LEU 18 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2bs3 h LEU 18 CO -0.00 0.79 -0.23 -0.09 0.09 0.00 0.00 178.44 179.00 2bs3 h ARG 19 N 0.89 0.51 -0.19 1.13 9.65 -1.22 -1.92 114.38 123.23 2bs3 h ARG 19 Ca 0.22 -0.18 -0.13 0.00 -1.10 0.00 0.00 59.98 58.79 2bs3 h ARG 19 Cb 0.17 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2bs3 h ARG 19 CO -0.02 0.70 -0.42 0.00 2.80 0.00 0.00 179.97 183.03 2bs3 h ALA 20 N 1.31 0.92 -0.37 2.80 0.00 -1.01 -2.65 119.26 120.26 2bs3 h ALA 20 Ca 0.07 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2bs3 h ALA 20 Cb 0.64 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2bs3 h ALA 20 CO 0.05 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.87 2bs3 h ALA 21 N 1.17 1.21 -0.45 0.00 0.00 -0.66 -2.13 119.26 118.40 2bs3 h ALA 21 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2bs3 h ALA 21 Cb 0.89 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2bs3 h ALA 21 CO 0.08 0.52 0.14 0.28 0.00 0.00 0.00 179.25 180.26 2bs3 h VAL 22 N 0.57 1.22 -0.71 0.00 2.07 -1.12 -0.24 116.25 118.04 2bs3 h VAL 22 Ca 0.11 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.94 2bs3 h VAL 22 Cb 0.46 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2bs3 h VAL 22 CO 0.02 0.27 0.43 0.00 0.02 0.00 0.00 177.57 178.31 2bs3 h ALA 23 N 0.99 0.95 0.14 1.67 0.00 -1.07 -0.92 119.26 121.02 2bs3 h ALA 23 Ca 0.15 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 2bs3 h ALA 23 Cb 0.27 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.90 2bs3 h ALA 23 CO -0.00 0.16 -0.96 1.79 0.00 0.00 0.00 179.25 180.24 2bs3 h THR 24 N 0.81 1.43 -0.72 0.00 1.35 -1.28 -3.34 112.91 111.16 2bs3 h THR 24 Ca 0.30 -2.48 -0.04 0.00 -0.55 0.00 0.00 66.41 63.64 2bs3 h THR 24 Cb 0.11 3.02 -0.03 0.00 -1.73 0.00 0.00 68.15 69.51 2bs3 h THR 24 CO -0.15 0.72 0.28 -0.61 -0.25 0.00 0.00 175.52 175.52 2bs3 h GLN 25 N -0.15 1.06 0.00 4.72 5.75 -0.96 -2.45 115.11 123.08 2bs3 h GLN 25 Ca -0.16 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 2bs3 h GLN 25 Cb 1.72 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 30.09 2bs3 h GLN 25 CO 0.18 0.86 0.00 -0.56 -2.65 0.00 0.00 178.83 176.66 2bs3 h GLN 26 N 1.04 0.00 -0.56 1.69 3.07 -1.29 -1.93 115.11 117.14 2bs3 h GLN 26 Ca 0.24 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.79 2bs3 h GLN 26 Cb 0.20 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.65 2bs3 h GLN 26 CO -0.02 0.00 0.16 0.36 0.09 0.00 0.00 178.83 179.42 2bs3 n LYS 27 N -2.45 2.88 -0.94 0.06 2.85 -0.95 -4.94 118.16 114.67 2bs3 n LYS 27 Ca -0.00 -3.05 0.00 0.00 -1.05 0.00 0.00 58.31 54.21 2bs3 n LYS 27 Cb 0.13 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.49 2bs3 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2bs3 n GLY 28 N -0.61 0.78 3.68 2.58 0.00 -0.72 -5.02 105.19 105.88 2bs3 n GLY 28 Ca 0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 2bs3 n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bs3 s LEU 29 N 0.00 4.20 0.06 0.99 1.43 -1.07 -5.00 118.68 119.30 2bs3 s LEU 29 Ca 0.00 1.21 -0.31 0.00 -1.03 0.00 0.00 54.13 54.00 2bs3 s LEU 29 Cb 0.00 -3.25 -0.08 0.00 0.03 0.00 0.00 46.19 42.89 2bs3 s LEU 29 CO 0.00 -0.37 1.59 -0.94 0.23 0.00 0.00 176.35 176.86 2bs3 s SER 30 N 1.12 6.66 0.03 2.29 1.04 -1.26 -3.95 113.70 119.62 2bs3 s SER 30 Ca 0.39 2.42 0.04 0.00 0.48 0.00 0.00 55.95 59.28 2bs3 s SER 30 Cb -0.17 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 2bs3 s SER 30 CO 0.14 -0.84 -0.13 0.28 0.98 0.00 0.00 173.24 173.66 2bs3 s THR 31 N 2.45 1.03 -0.03 2.02 -1.32 -1.26 -0.98 115.64 117.54 2bs3 s THR 31 Ca 0.71 -0.92 0.07 0.00 -1.21 0.00 0.00 61.69 60.34 2bs3 s THR 31 Cb -0.38 -0.93 -0.02 0.00 -1.51 0.00 0.00 72.50 69.66 2bs3 s THR 31 CO 0.31 0.01 -0.23 -0.63 -2.21 0.00 0.00 174.62 171.87 2bs3 s ILE 32 N -0.79 1.87 -0.20 5.08 1.01 -0.79 -2.10 121.20 125.27 2bs3 s ILE 32 Ca 0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 2bs3 s ILE 32 Cb -0.07 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.84 2bs3 s ILE 32 CO 0.01 0.53 -0.13 -0.69 0.00 0.00 0.00 174.94 174.66 2bs3 s VAL 33 N -0.43 2.67 -0.05 2.92 1.01 0.09 -0.27 120.40 126.34 2bs3 s VAL 33 Ca 0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2bs3 s VAL 33 Cb -0.10 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2bs3 s VAL 33 CO 0.00 0.49 0.21 -0.76 0.00 0.00 0.00 175.10 175.04 2bs3 s LEU 34 N 1.34 4.39 -0.11 3.92 1.43 0.44 -0.79 118.68 129.30 2bs3 s LEU 34 Ca 0.05 0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 53.46 2bs3 s LEU 34 Cb -0.14 -2.40 0.05 0.00 0.03 0.00 0.00 46.19 43.73 2bs3 s LEU 34 CO -0.08 0.33 0.48 -0.55 0.23 0.00 0.00 176.35 176.76 2bs3 s SER 35 N -1.43 -0.45 0.31 2.29 0.15 -0.87 -0.50 113.70 113.21 2bs3 s SER 35 Ca 0.22 0.66 0.04 0.00 0.70 0.00 0.00 55.95 57.58 2bs3 s SER 35 Cb -0.13 0.70 0.53 0.00 -1.71 0.00 0.00 66.02 65.41 2bs3 s SER 35 CO 0.11 -0.35 1.80 -0.07 1.20 0.00 0.00 173.24 175.93 2bs3 h LEU 36 N 4.41 0.44 -8.87 3.45 3.38 -1.87 0.12 115.31 116.36 2bs3 h LEU 36 Ca -0.28 -0.12 -0.34 0.00 0.09 0.00 0.00 57.88 57.23 2bs3 h LEU 36 Cb 1.17 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 2bs3 h LEU 36 CO 0.30 0.62 -0.62 0.27 0.09 0.00 0.00 178.44 179.10 2bs3 s ILE 37 N -4.67 0.52 0.23 1.22 -4.36 -1.26 -2.39 121.20 110.50 2bs3 s ILE 37 Ca -0.07 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.01 2bs3 s ILE 37 Cb 0.15 -2.63 -0.13 0.00 1.25 0.00 0.00 42.46 41.10 2bs3 s ILE 37 CO 0.77 -0.00 1.43 -2.65 0.24 0.00 0.00 174.94 174.72 2bs3 n PRO 38 N -0.45 2.06 -0.05 0.37 -0.02 -1.26 -4.59 135.00 131.05 2bs3 n PRO 38 Ca 0.00 0.73 0.18 0.00 -2.02 0.00 0.00 63.50 62.40 2bs3 n PRO 38 Cb 0.66 -2.40 0.62 0.00 -0.02 0.00 0.00 33.50 32.36 2bs3 n PRO 38 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2bs3 h VAL 39 N 3.11 0.76 0.00 -1.45 -1.51 -1.96 -1.07 116.25 114.13 2bs3 h VAL 39 Ca -0.45 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2bs3 h VAL 39 Cb 1.27 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2bs3 h VAL 39 CO 0.77 0.03 0.00 0.29 -1.23 0.00 0.00 177.57 177.43 2bs3 n LYS 40 N -4.41 0.76 -0.10 5.19 5.02 -1.26 -2.31 118.16 121.04 2bs3 n LYS 40 Ca 0.11 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.48 2bs3 n LYS 40 Cb 0.57 -1.37 0.13 0.00 -0.02 0.00 0.00 35.03 34.33 2bs3 n LYS 40 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2bs3 n ARG 41 N -0.87 1.85 -1.07 1.97 1.74 -0.41 -4.84 116.66 115.03 2bs3 n ARG 41 Ca 0.14 -1.77 -0.34 0.00 -0.77 0.00 0.00 57.85 55.11 2bs3 n ARG 41 Cb 0.06 -1.33 0.13 0.00 -1.02 0.00 0.00 32.46 30.30 2bs3 n ARG 41 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2bs3 n SER 42 N 0.88 0.57 -0.06 0.55 7.64 -0.98 -4.86 113.62 117.37 2bs3 n SER 42 Ca 0.12 0.56 0.23 0.00 1.01 0.00 0.00 58.87 60.79 2bs3 n SER 42 Cb 0.43 -1.46 0.70 0.00 -1.01 0.00 0.00 64.21 62.87 2bs3 n SER 42 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2bs3 h HIS 43 N -0.97 0.00 -1.06 1.43 2.76 -1.95 -0.77 115.15 114.59 2bs3 h HIS 43 Ca -0.46 0.00 0.29 0.00 -2.20 0.00 0.00 60.37 58.01 2bs3 h HIS 43 Cb 1.30 -0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.20 2bs3 h HIS 43 CO 0.45 0.00 0.74 0.77 -1.30 0.00 0.00 177.93 178.58 2bs3 h SER 44 N 0.00 0.16 0.17 3.26 0.02 -1.94 0.35 113.55 115.58 2bs3 h SER 44 Ca 0.31 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2bs3 h SER 44 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 2bs3 h SER 44 CO -0.00 0.03 -0.01 0.00 -1.14 0.00 0.00 176.83 175.71 2bs3 h ALA 45 N 1.52 1.09 0.00 3.77 0.00 -1.33 -2.86 119.26 121.45 2bs3 h ALA 45 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2bs3 h ALA 45 Cb 1.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2bs3 h ALA 45 CO -0.11 0.01 -0.13 0.00 0.00 0.00 0.00 179.25 179.03 2bs3 n ALA 46 N -2.13 2.59 -1.75 0.00 0.00 0.11 -2.72 120.51 116.61 2bs3 n ALA 46 Ca -0.02 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 2bs3 n ALA 46 Cb 0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 2bs3 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bs3 s ALA 47 N -3.03 3.67 0.00 0.00 0.00 -1.08 -4.85 121.76 116.47 2bs3 s ALA 47 Ca 0.12 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.42 2bs3 s ALA 47 Cb 0.17 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2bs3 s ALA 47 CO 0.58 -1.36 0.00 1.04 0.00 0.00 0.00 175.76 176.02 2bs3 n GLN 48 N 6.50 3.86 0.22 0.00 6.02 -1.26 -0.49 117.38 132.23 2bs3 n GLN 48 Ca 0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.05 2bs3 n GLN 48 Cb 0.40 -0.68 -0.07 0.00 1.02 0.00 0.00 30.24 30.91 2bs3 n GLN 48 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2bs3 h GLY 49 N 0.00 -0.63 0.00 1.08 0.00 -1.93 -3.43 103.07 98.16 2bs3 h GLY 49 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2bs3 h GLY 49 CO 0.00 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 176.92 2bs3 n GLY 50 N -0.15 0.72 3.26 4.60 0.00 -1.26 -4.84 105.19 107.52 2bs3 n GLY 50 Ca -0.09 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 2bs3 n GLY 50 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2bs3 s MET 51 N -1.30 3.18 -0.05 1.61 1.75 0.49 -4.40 119.30 120.57 2bs3 s MET 51 Ca 0.00 -0.78 -0.28 0.00 -1.25 0.00 0.00 55.69 53.38 2bs3 s MET 51 Cb 0.00 -2.54 -0.03 0.00 2.84 0.00 0.00 34.83 35.10 2bs3 s MET 51 CO 0.00 0.07 0.93 -1.14 -0.65 0.00 0.00 175.02 174.22 2bs3 s GLN 52 N 0.67 4.48 -0.28 4.11 0.74 0.51 0.26 119.66 130.16 2bs3 s GLN 52 Ca -0.09 1.29 -0.19 0.00 0.05 0.00 0.00 55.36 56.42 2bs3 s GLN 52 Cb -0.16 -3.49 0.10 0.00 1.10 0.00 0.00 33.01 30.56 2bs3 s GLN 52 CO 0.02 -0.12 0.79 0.00 -0.55 0.00 0.00 175.29 175.43 2bs3 s ALA 53 N 1.33 -1.95 -1.45 1.58 0.00 -0.83 -4.86 121.76 115.58 2bs3 s ALA 53 Ca 0.48 2.24 -0.13 0.00 0.00 0.00 0.00 51.96 54.54 2bs3 s ALA 53 Cb -0.19 -1.43 0.05 0.00 0.00 0.00 0.00 23.12 21.54 2bs3 s ALA 53 CO 0.22 -0.35 2.22 -1.13 0.00 0.00 0.00 175.76 176.72 2bs3 n SER 54 N 3.60 4.12 -0.02 0.00 3.41 -1.26 -4.69 113.62 118.78 2bs3 n SER 54 Ca -0.18 -2.86 -0.16 0.00 -0.26 0.00 0.00 58.87 55.42 2bs3 n SER 54 Cb 0.57 -1.64 -0.09 0.00 -0.26 0.00 0.00 64.21 62.79 2bs3 n SER 54 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2bs3 h LEU 55 N 9.71 0.52 0.29 1.04 3.38 -1.88 -3.42 115.31 124.96 2bs3 h LEU 55 Ca 0.56 -0.68 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2bs3 h LEU 55 Cb 0.63 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2bs3 h LEU 55 CO 1.86 1.12 -0.07 0.61 0.09 0.00 0.00 178.44 182.05 2bs3 n GLY 56 N 0.80 0.47 0.12 0.83 0.00 -1.26 -4.58 105.19 101.56 2bs3 n GLY 56 Ca -0.09 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2bs3 n GLY 56 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bs3 h ASN 57 N 0.00 -0.14 -4.38 1.61 -0.26 -1.84 -3.39 115.58 107.18 2bs3 h ASN 57 Ca -0.07 -0.39 -0.49 0.00 -0.56 0.00 0.00 56.30 54.79 2bs3 h ASN 57 Cb 0.58 0.04 0.10 0.00 -1.06 0.00 0.00 38.32 37.97 2bs3 h ASN 57 CO 0.10 0.47 0.37 -0.94 -1.06 0.00 0.00 177.43 176.37 2bs3 s SER 58 N -5.57 4.91 0.17 5.81 1.04 -1.26 -4.83 113.70 113.97 2bs3 s SER 58 Ca -0.12 1.21 -0.16 0.00 0.48 0.00 0.00 55.95 57.36 2bs3 s SER 58 Cb -0.00 -1.96 0.10 0.00 0.10 0.00 0.00 66.02 64.26 2bs3 s SER 58 CO 0.43 -1.69 1.69 0.50 0.98 0.00 0.00 173.24 175.15 2bs3 h LYS 59 N -0.90 0.07 0.00 4.02 1.63 -1.92 0.16 116.57 119.63 2bs3 h LYS 59 Ca -0.46 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2bs3 h LYS 59 Cb 1.26 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2bs3 h LYS 59 CO 0.62 0.04 0.00 -1.33 -3.45 0.00 0.00 179.45 175.33 2bs3 n MET 60 N -5.23 0.69 0.00 1.90 2.81 -1.26 -2.09 117.12 113.94 2bs3 n MET 60 Ca 0.02 0.01 0.05 0.00 -1.81 0.00 0.00 57.70 55.97 2bs3 n MET 60 Cb 0.21 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.19 2bs3 n MET 60 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2bs3 n SER 61 N -1.02 0.87 -4.65 7.83 7.64 0.35 -1.92 113.62 122.71 2bs3 n SER 61 Ca 0.17 -0.93 -0.49 0.00 1.01 0.00 0.00 58.87 58.62 2bs3 n SER 61 Cb 0.09 0.73 -0.05 0.00 -1.01 0.00 0.00 64.21 63.97 2bs3 n SER 61 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2bs3 n ASP 62 N -0.74 2.58 0.00 6.43 -0.08 0.05 -1.23 116.55 123.56 2bs3 n ASP 62 Ca 0.03 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 2bs3 n ASP 62 Cb 0.19 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.34 2bs3 n ASP 62 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bs3 n GLY 63 N 3.31 1.41 3.76 0.27 0.00 -1.26 -5.04 105.19 107.64 2bs3 n GLY 63 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2bs3 n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bs3 s ASP 64 N -2.99 5.79 0.32 1.61 2.15 -0.37 -5.01 116.67 118.17 2bs3 s ASP 64 Ca 0.00 2.53 -0.10 0.00 0.43 0.00 0.00 52.55 55.41 2bs3 s ASP 64 Cb 0.00 -2.62 0.04 0.00 -0.30 0.00 0.00 42.92 40.04 2bs3 s ASP 64 CO 0.00 -1.19 0.60 -0.46 -0.17 0.00 0.00 175.17 173.95 2bs3 n ASN 65 N -0.66 -1.75 -0.32 -0.34 0.23 -1.26 -4.57 115.26 106.59 2bs3 n ASN 65 Ca 0.08 -2.34 0.05 0.00 -0.53 0.00 0.00 54.58 51.84 2bs3 n ASN 65 Cb 0.46 2.95 0.24 0.00 -2.08 0.00 0.00 39.78 41.35 2bs3 n ASN 65 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2bs3 h GLU 66 N 0.00 0.99 -0.59 -3.83 3.07 -1.87 -2.57 114.58 109.78 2bs3 h GLU 66 Ca -0.26 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 2bs3 h GLU 66 Cb 1.00 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 2bs3 h GLU 66 CO 0.34 0.66 0.30 -0.44 -1.40 0.00 0.00 179.01 178.46 2bs3 h ASP 67 N 1.02 0.75 -0.32 1.42 3.32 -1.96 0.20 116.42 120.85 2bs3 h ASP 67 Ca 0.42 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 2bs3 h ASP 67 Cb 0.28 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2bs3 h ASP 67 CO -0.17 0.65 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.61 2bs3 h LEU 68 N 0.80 0.89 -0.46 1.55 3.38 -1.88 -1.28 115.31 118.31 2bs3 h LEU 68 Ca 0.20 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 2bs3 h LEU 68 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2bs3 h LEU 68 CO -0.03 1.14 -0.24 -0.74 0.09 0.00 0.00 178.44 178.66 2bs3 h HIS 69 N 0.72 1.13 -0.22 1.13 2.76 -1.28 -2.19 115.15 117.20 2bs3 h HIS 69 Ca 0.07 -0.29 0.02 0.00 -2.20 0.00 0.00 60.37 57.98 2bs3 h HIS 69 Cb 0.88 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 2bs3 h HIS 69 CO 0.05 1.11 0.09 0.35 -1.30 0.00 0.00 177.93 178.23 2bs3 h PHE 70 N 0.83 0.17 -0.68 5.26 3.57 -0.41 -1.75 116.94 123.92 2bs3 h PHE 70 Ca 0.10 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2bs3 h PHE 70 Cb 0.82 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 2bs3 h PHE 70 CO 0.06 0.09 0.17 1.98 -2.23 0.00 0.00 178.31 178.37 2bs3 h MET 71 N 0.20 1.10 -0.75 1.11 4.05 -1.12 -0.65 114.93 118.87 2bs3 h MET 71 Ca 0.09 -0.26 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 2bs3 h MET 71 Cb 0.05 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 2bs3 h MET 71 CO -0.08 0.97 0.36 -0.44 0.23 0.00 0.00 176.91 177.95 2bs3 h ASP 72 N 1.03 0.98 0.01 1.39 3.32 -1.21 -1.42 116.42 120.53 2bs3 h ASP 72 Ca 0.22 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2bs3 h ASP 72 Cb 0.37 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2bs3 h ASP 72 CO 0.00 0.83 -0.01 0.74 -1.72 0.00 0.00 179.24 179.08 2bs3 h THR 73 N 1.07 1.28 0.03 0.35 2.02 -0.88 -1.01 112.91 115.77 2bs3 h THR 73 Ca 0.26 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 2bs3 h THR 73 Cb 0.11 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2bs3 h THR 73 CO -0.03 0.23 -0.01 0.58 0.37 0.00 0.00 175.52 176.65 2bs3 h VAL 74 N -0.40 1.03 -0.50 3.16 2.07 -1.03 -1.03 116.25 119.56 2bs3 h VAL 74 Ca -0.00 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 2bs3 h VAL 74 Cb 0.39 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2bs3 h VAL 74 CO 0.00 0.05 0.04 0.11 0.02 0.00 0.00 177.57 177.79 2bs3 h LYS 75 N -0.12 0.80 -0.65 1.57 1.57 -1.34 -2.14 116.57 116.26 2bs3 h LYS 75 Ca -0.00 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 2bs3 h LYS 75 Cb 0.11 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2bs3 h LYS 75 CO 0.01 0.78 0.28 0.78 -0.57 0.00 0.00 179.45 180.73 2bs3 h GLY 76 N 0.97 1.01 1.32 3.86 0.00 -0.96 -1.66 103.07 107.60 2bs3 h GLY 76 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2bs3 h GLY 76 CO 0.01 0.48 0.00 -1.14 0.00 0.00 0.00 176.54 175.89 2bs3 n SER 77 N -4.32 0.00 -3.44 0.19 3.41 -0.41 -4.18 113.62 104.86 2bs3 n SER 77 Ca 0.06 -0.26 -0.25 0.00 -0.26 0.00 0.00 58.87 58.16 2bs3 n SER 77 Cb 0.15 -0.16 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 2bs3 n SER 77 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2bs3 n ASP 78 N -1.16 -5.68 -1.60 4.04 -0.08 -0.63 -2.01 116.55 109.44 2bs3 n ASP 78 Ca 0.12 -0.49 -0.19 0.00 -1.51 0.00 0.00 54.79 52.72 2bs3 n ASP 78 Cb 0.11 -4.54 -0.06 0.00 2.34 0.00 0.00 41.12 38.97 2bs3 n ASP 78 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2bs3 n TRP 79 N -4.66 -0.20 1.16 -0.67 8.01 -1.13 -4.83 117.44 115.12 2bs3 n TRP 79 Ca -0.03 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.28 2bs3 n TRP 79 Cb 0.57 -3.29 0.23 0.00 -2.01 0.00 0.00 31.31 26.81 2bs3 n TRP 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2bs3 n GLY 80 N -0.75 -0.30 3.93 6.99 0.00 -0.85 -4.96 105.19 109.26 2bs3 n GLY 80 Ca -0.20 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 2bs3 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 s ASP 82 N -4.23 6.39 0.55 0.00 1.01 0.29 -4.92 116.67 115.76 2bs3 s ASP 82 Ca 0.50 -0.20 0.23 0.00 0.71 0.00 0.00 52.55 53.79 2bs3 s ASP 82 Cb -0.10 -2.40 1.54 0.00 1.01 0.00 0.00 42.92 42.97 2bs3 s ASP 82 CO 0.42 -1.01 2.20 1.56 0.21 0.00 0.00 175.17 178.55 2bs3 h GLN 83 N 9.08 0.00 -0.52 8.23 4.20 -1.89 -1.71 115.11 132.51 2bs3 h GLN 83 Ca -0.25 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.34 2bs3 h GLN 83 Cb 1.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 2bs3 h GLN 83 CO 1.00 0.00 -0.13 0.87 -0.67 0.00 0.00 178.83 179.91 2bs3 h LYS 84 N 0.00 0.99 -0.45 1.46 1.57 -1.91 -1.53 116.57 116.69 2bs3 h LYS 84 Ca -0.00 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.34 2bs3 h LYS 84 Cb 0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2bs3 h LYS 84 CO 0.00 1.05 0.02 0.28 -0.57 0.00 0.00 179.45 180.23 2bs3 h VAL 85 N 0.88 1.26 -0.55 0.50 2.07 -1.65 -1.82 116.25 116.94 2bs3 h VAL 85 Ca 0.13 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.67 2bs3 h VAL 85 Cb 0.69 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2bs3 h VAL 85 CO 0.05 0.35 0.36 0.00 0.02 0.00 0.00 177.57 178.36 2bs3 h ALA 86 N 0.92 1.75 -0.31 1.67 0.00 -1.15 -0.71 119.26 121.44 2bs3 h ALA 86 Ca 0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2bs3 h ALA 86 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2bs3 h ALA 86 CO 0.02 0.18 -0.29 0.00 0.00 0.00 0.00 179.25 179.16 2bs3 h ARG 87 N 0.61 0.74 -0.70 0.00 2.47 -0.82 -1.65 114.38 115.03 2bs3 h ARG 87 Ca 0.22 -0.39 0.04 0.00 -1.26 0.00 0.00 59.98 58.59 2bs3 h ARG 87 Cb 0.13 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.42 2bs3 h ARG 87 CO -0.06 1.01 0.43 0.52 0.56 0.00 0.00 179.97 182.43 2bs3 h MET 88 N 0.50 0.81 0.90 0.04 2.86 -0.48 -2.59 114.93 116.98 2bs3 h MET 88 Ca 0.05 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2bs3 h MET 88 Cb 0.86 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.35 2bs3 h MET 88 CO 0.07 0.54 -0.43 0.35 1.06 0.00 0.00 176.91 178.50 2bs3 h PHE 89 N 0.83 -1.12 -0.25 -0.22 3.57 -0.99 -2.83 116.94 115.93 2bs3 h PHE 89 Ca 0.29 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.79 2bs3 h PHE 89 Cb 0.05 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2bs3 h PHE 89 CO -0.05 -0.70 0.17 -0.39 -2.23 0.00 0.00 178.31 175.12 2bs3 h VAL 90 N -1.29 0.98 0.00 1.41 -1.51 -1.28 0.24 116.25 114.80 2bs3 h VAL 90 Ca -0.12 -0.07 -0.04 0.00 -1.23 0.00 0.00 66.70 65.23 2bs3 h VAL 90 Cb 0.93 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 2bs3 h VAL 90 CO 0.20 0.04 -0.20 -1.13 -1.23 0.00 0.00 177.57 175.25 2bs3 h ASN 91 N 0.20 0.00 0.10 4.19 -0.73 -1.48 -3.28 115.58 114.58 2bs3 h ASN 91 Ca 0.11 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.18 2bs3 h ASN 91 Cb 0.17 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.74 2bs3 h ASN 91 CO -0.02 0.20 -2.00 0.41 -0.37 0.00 0.00 177.43 175.65 2bs3 n THR 92 N -3.22 0.43 -0.26 -3.57 -1.04 -0.56 -4.49 114.28 101.57 2bs3 n THR 92 Ca 0.02 -0.60 0.04 0.00 -2.04 0.00 0.00 64.05 61.47 2bs3 n THR 92 Cb 0.53 -0.17 0.17 0.00 -1.82 0.00 0.00 70.33 69.04 2bs3 n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bs3 h ALA 93 N 1.73 1.07 -0.99 2.41 0.00 -1.06 -1.56 119.26 120.87 2bs3 h ALA 93 Ca -0.14 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2bs3 h ALA 93 Cb 1.33 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2bs3 h ALA 93 CO 0.01 -0.11 0.65 -1.35 0.00 0.00 0.00 179.25 178.44 2bs3 h PRO 94 N 0.55 1.22 0.00 0.00 0.11 -1.79 -1.57 132.00 130.52 2bs3 h PRO 94 Ca 0.40 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.37 2bs3 h PRO 94 Cb 0.52 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 2bs3 h PRO 94 CO -0.34 0.81 -0.28 1.57 -0.21 0.00 0.00 178.00 179.55 2bs3 h LYS 95 N 1.26 0.00 -0.17 1.05 2.10 -1.57 -2.38 116.57 116.85 2bs3 h LYS 95 Ca 0.39 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.99 2bs3 h LYS 95 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2bs3 h LYS 95 CO -0.12 0.28 -0.09 0.00 -2.00 0.00 0.00 179.45 177.53 2bs3 h ALA 96 N 1.72 0.24 -0.22 0.07 0.00 -0.58 0.11 119.26 120.61 2bs3 h ALA 96 Ca -0.00 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2bs3 h ALA 96 Cb 0.89 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2bs3 h ALA 96 CO 0.04 0.06 0.04 0.82 0.00 0.00 0.00 179.25 180.21 2bs3 h ILE 97 N 0.04 0.89 -0.41 0.00 1.08 -1.29 -1.18 117.51 116.66 2bs3 h ILE 97 Ca 0.04 -0.04 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 2bs3 h ILE 97 Cb 0.57 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2bs3 h ILE 97 CO 0.03 0.02 -0.08 0.03 -0.69 0.00 0.00 178.15 177.46 2bs3 h ARG 98 N 0.12 0.69 -0.32 2.37 3.08 -1.35 -0.33 114.38 118.64 2bs3 h ARG 98 Ca 0.10 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2bs3 h ARG 98 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2bs3 h ARG 98 CO -0.14 0.76 -0.10 1.49 -1.07 0.00 0.00 179.97 180.91 2bs3 h GLU 99 N 0.64 0.64 -0.55 0.04 4.81 -0.74 -1.96 114.58 117.45 2bs3 h GLU 99 Ca 0.12 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2bs3 h GLU 99 Cb 0.51 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2bs3 h GLU 99 CO 0.03 0.83 0.28 -0.07 -0.73 0.00 0.00 179.01 179.35 2bs3 h LEU 100 N 0.41 0.68 -0.76 1.64 3.38 -0.91 -0.67 115.31 119.08 2bs3 h LEU 100 Ca 0.08 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2bs3 h LEU 100 Cb 0.61 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2bs3 h LEU 100 CO 0.04 0.57 0.25 0.00 0.09 0.00 0.00 178.44 179.39 2bs3 h ALA 101 N 1.54 0.99 0.00 1.53 0.00 -0.81 -1.15 119.26 121.37 2bs3 h ALA 101 Ca 0.19 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2bs3 h ALA 101 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2bs3 h ALA 101 CO -0.03 0.66 -0.27 0.00 0.00 0.00 0.00 179.25 179.61 2bs3 h ALA 102 N 1.13 1.19 -0.09 0.00 0.00 -0.51 -1.85 119.26 119.13 2bs3 h ALA 102 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bs3 h ALA 102 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bs3 h ALA 102 CO -0.01 0.34 0.00 0.91 0.00 0.00 0.00 179.25 180.49 2bs3 n TRP 103 N -3.69 0.12 -0.16 0.00 8.01 -0.36 -4.90 117.44 116.47 2bs3 n TRP 103 Ca -0.01 -0.06 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 2bs3 n TRP 103 Cb 0.39 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.69 2bs3 n TRP 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2bs3 n GLY 104 N 0.91 0.58 3.67 6.99 0.00 -0.69 -4.94 105.19 111.71 2bs3 n GLY 104 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2bs3 n GLY 104 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bs3 n VAL 105 N -2.00 0.69 -1.15 1.61 0.31 -0.54 -4.83 118.33 112.41 2bs3 n VAL 105 Ca 0.00 -0.12 -0.34 0.00 -0.01 0.00 0.00 64.34 63.86 2bs3 n VAL 105 Cb 0.00 -2.26 -0.02 0.00 -0.91 0.00 0.00 33.84 30.65 2bs3 n VAL 105 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2bs3 n PRO 106 N 7.14 2.61 -1.72 5.55 -0.04 -1.26 -4.58 135.00 142.69 2bs3 n PRO 106 Ca 0.20 -1.94 -0.42 0.00 -0.04 0.00 0.00 63.50 61.29 2bs3 n PRO 106 Cb 0.39 -2.78 -0.01 0.00 -0.04 0.00 0.00 33.50 31.06 2bs3 n PRO 106 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2bs3 n TRP 107 N 4.91 2.53 -1.96 0.54 7.02 -1.26 -4.57 117.44 124.65 2bs3 n TRP 107 Ca 0.57 0.46 -0.41 0.00 -1.02 0.00 0.00 57.50 57.10 2bs3 n TRP 107 Cb 0.25 -2.48 -0.02 0.00 -2.42 0.00 0.00 31.31 26.65 2bs3 n TRP 107 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2bs3 s THR 108 N -0.79 2.47 0.24 -0.99 2.01 0.26 -4.90 115.64 113.94 2bs3 s THR 108 Ca 0.58 0.43 0.08 0.00 0.31 0.00 0.00 61.69 63.09 2bs3 s THR 108 Cb -0.55 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2bs3 s THR 108 CO 0.59 0.08 0.10 -0.13 -0.69 0.00 0.00 174.62 174.57 2bs3 s ARG 109 N -1.08 2.63 0.17 4.92 1.81 -1.26 -1.24 118.95 124.90 2bs3 s ARG 109 Ca 0.56 -1.18 -0.28 0.00 -1.72 0.00 0.00 55.73 53.11 2bs3 s ARG 109 Cb -0.43 -2.40 -0.08 0.00 -0.45 0.00 0.00 34.95 31.60 2bs3 s ARG 109 CO 0.50 0.40 0.87 0.42 -0.68 0.00 0.00 175.30 176.81 2bs3 s ILE 110 N -2.14 4.32 0.04 1.52 1.01 0.01 -4.73 121.20 121.22 2bs3 s ILE 110 Ca 0.32 1.92 0.09 0.00 0.00 0.00 0.00 60.65 62.97 2bs3 s ILE 110 Cb -0.08 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2bs3 s ILE 110 CO 0.22 0.46 -0.25 -1.38 0.00 0.00 0.00 174.94 173.99 2bs3 s HIS 111 N -0.83 2.22 0.55 3.97 -3.43 -1.26 0.09 115.29 116.61 2bs3 s HIS 111 Ca 0.40 -0.41 -0.21 0.00 -0.80 0.00 0.00 55.06 54.05 2bs3 s HIS 111 Cb -0.24 -1.35 -0.05 0.00 -1.43 0.00 0.00 32.58 29.52 2bs3 s HIS 111 CO 0.29 0.09 1.26 0.21 -2.00 0.00 0.00 174.74 174.59 2bs3 s LYS 112 N -1.13 3.17 0.00 -0.38 2.20 -1.26 -4.75 119.74 117.59 2bs3 s LYS 112 Ca 0.11 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 2bs3 s LYS 112 Cb -0.10 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 2bs3 s LYS 112 CO 0.02 -1.09 0.00 0.41 -0.36 0.00 0.00 175.35 174.32 2bs3 n GLY 113 N 0.61 0.92 3.93 5.54 0.00 -0.83 -4.95 105.19 110.40 2bs3 n GLY 113 Ca 0.11 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 2bs3 n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bs3 s ASP 114 N -0.43 6.33 -0.13 1.61 1.01 -1.26 -1.17 116.67 122.63 2bs3 s ASP 114 Ca 0.00 0.56 -0.10 0.00 0.71 0.00 0.00 52.55 53.72 2bs3 s ASP 114 Cb 0.00 -2.08 0.04 0.00 1.01 0.00 0.00 42.92 41.89 2bs3 s ASP 114 CO 0.00 -0.29 0.34 -0.60 0.21 0.00 0.00 175.17 174.83 2bs3 s ARG 115 N -4.14 0.36 -0.61 8.23 3.52 0.21 -4.95 118.95 121.58 2bs3 s ARG 115 Ca 0.42 0.54 -0.27 0.00 -0.13 0.00 0.00 55.73 56.28 2bs3 s ARG 115 Cb -0.10 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.40 2bs3 s ARG 115 CO 0.35 -0.09 1.47 -1.64 -0.81 0.00 0.00 175.30 174.59 2bs3 s MET 116 N 0.60 3.14 0.18 5.12 -1.94 -1.26 -1.56 119.30 123.59 2bs3 s MET 116 Ca -0.03 0.33 0.11 0.00 -1.71 0.00 0.00 55.69 54.39 2bs3 s MET 116 Cb -0.05 -4.19 -0.04 0.00 2.01 0.00 0.00 34.83 32.56 2bs3 s MET 116 CO -0.04 -2.14 -0.24 0.00 -0.01 0.00 0.00 175.02 172.59 2bs3 s ALA 117 N 6.57 2.48 -0.35 3.03 0.00 -1.09 -5.01 121.76 127.40 2bs3 s ALA 117 Ca 0.51 -1.61 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 2bs3 s ALA 117 Cb -0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 2bs3 s ALA 117 CO 0.22 0.43 0.23 0.42 0.00 0.00 0.00 175.76 177.06 2bs3 s ILE 118 N -1.61 5.01 -0.28 0.00 -1.09 -1.26 -3.31 121.20 118.66 2bs3 s ILE 118 Ca 0.19 -0.44 0.22 0.00 -2.23 0.00 0.00 60.65 58.39 2bs3 s ILE 118 Cb -0.08 -3.64 -0.27 0.00 -1.58 0.00 0.00 42.46 36.89 2bs3 s ILE 118 CO 0.09 -0.08 0.66 -0.38 -1.23 0.00 0.00 174.94 174.00 2bs3 n ILE 119 N 5.07 0.07 -2.65 2.92 5.41 -1.26 -4.94 119.36 123.98 2bs3 n ILE 119 Ca -0.12 -0.39 -0.21 0.00 1.00 0.00 0.00 62.75 63.03 2bs3 n ILE 119 Cb 0.49 0.17 0.01 0.00 -0.71 0.00 0.00 39.64 39.59 2bs3 n ILE 119 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2bs3 n ASN 120 N -2.13 -5.77 0.00 4.38 3.02 -1.26 -4.48 115.26 109.03 2bs3 n ASN 120 Ca -0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2bs3 n ASN 120 Cb 0.51 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 2bs3 n ASN 120 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bs3 n ALA 121 N -2.62 0.00 0.00 5.41 0.00 -1.26 -4.96 120.51 117.08 2bs3 n ALA 121 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2bs3 n ALA 121 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2bs3 n ALA 121 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bs3 n GLN 122 N 0.00 0.00 -0.76 0.00 6.02 -1.26 -5.06 117.38 116.32 2bs3 n GLN 122 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2bs3 n GLN 122 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 2bs3 n GLN 122 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2bs3 n LYS 123 N 0.00 0.02 0.00 -1.09 2.85 -1.26 -4.27 118.16 114.41 2bs3 n LYS 123 Ca 0.00 -1.13 0.00 0.00 -1.05 0.00 0.00 58.31 56.13 2bs3 n LYS 123 Cb 0.00 -2.78 0.00 0.00 -0.65 0.00 0.00 35.03 31.60 2bs3 n LYS 123 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2bs3 n THR 124 N 7.38 0.00 -4.79 0.58 5.66 -1.21 -4.85 114.28 117.06 2bs3 n THR 124 Ca 0.44 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 61.12 2bs3 n THR 124 Cb 0.43 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.08 2bs3 n THR 124 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2bs3 s THR 125 N 4.01 3.16 -0.06 1.09 2.01 -1.26 -2.66 115.64 121.92 2bs3 s THR 125 Ca 0.00 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.26 2bs3 s THR 125 Cb 0.00 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 2bs3 s THR 125 CO 0.00 0.54 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.72 2bs3 s ILE 126 N -0.79 3.28 -0.11 1.82 1.01 -0.60 -4.91 121.20 120.89 2bs3 s ILE 126 Ca 0.13 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2bs3 s ILE 126 Cb -0.11 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2bs3 s ILE 126 CO 0.02 0.59 -0.18 -0.89 0.00 0.00 0.00 174.94 174.47 2bs3 s THR 127 N -0.64 2.60 -0.24 2.92 2.01 -1.26 -0.61 115.64 120.42 2bs3 s THR 127 Ca 0.09 -0.83 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 2bs3 s THR 127 Cb -0.11 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 2bs3 s THR 127 CO 0.01 0.54 0.03 -1.61 -0.69 0.00 0.00 174.62 172.90 2bs3 s GLU 128 N 0.28 3.50 0.87 4.92 0.41 -0.31 -4.69 118.70 123.67 2bs3 s GLU 128 Ca -0.13 -0.57 -0.11 0.00 -0.41 0.00 0.00 54.97 53.75 2bs3 s GLU 128 Cb -0.16 -3.21 0.11 0.00 -1.78 0.00 0.00 34.13 29.09 2bs3 s GLU 128 CO 0.07 -0.21 1.09 -1.21 -0.49 0.00 0.00 175.26 174.51 2bs3 s GLU 129 N 1.55 1.48 0.41 1.61 8.01 -1.26 -1.97 118.70 128.53 2bs3 s GLU 129 Ca 0.06 0.98 0.07 0.00 0.01 0.00 0.00 54.97 56.09 2bs3 s GLU 129 Cb -0.15 -1.82 0.86 0.00 -4.31 0.00 0.00 34.13 28.71 2bs3 s GLU 129 CO 0.01 -2.13 2.05 0.38 0.01 0.00 0.00 175.26 175.57 2bs3 h ASP 130 N -1.48 0.49 0.50 -0.19 3.04 -1.97 -2.03 116.42 114.78 2bs3 h ASP 130 Ca -0.48 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 2bs3 h ASP 130 Cb 1.27 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 2bs3 h ASP 130 CO 0.52 0.35 0.00 2.22 -2.04 0.00 0.00 179.24 180.29 2bs3 n PHE 131 N -4.47 0.00 0.26 4.15 1.16 -1.26 -2.25 117.46 115.04 2bs3 n PHE 131 Ca 0.04 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.73 2bs3 n PHE 131 Cb 0.09 -0.46 -0.05 0.00 -1.61 0.00 0.00 39.48 37.45 2bs3 n PHE 131 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2bs3 n ARG 132 N -1.46 0.49 -1.64 3.97 1.74 -0.77 -4.96 116.66 114.04 2bs3 n ARG 132 Ca 0.05 -0.03 -0.47 0.00 -0.77 0.00 0.00 57.85 56.62 2bs3 n ARG 132 Cb 0.18 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 2bs3 n ARG 132 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2bs3 n HIS 133 N -2.25 1.93 -0.44 -1.55 -0.00 -0.95 -2.18 115.22 109.77 2bs3 n HIS 133 Ca -0.01 0.46 0.00 0.00 0.46 0.00 0.00 57.72 58.64 2bs3 n HIS 133 Cb 0.51 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 2bs3 n HIS 133 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2bs3 n GLY 134 N 2.59 1.49 3.94 1.57 0.00 0.11 -4.96 105.19 109.93 2bs3 n GLY 134 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 2bs3 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bs3 s LEU 135 N 0.00 3.41 0.08 0.99 1.43 -0.93 -4.74 118.68 118.92 2bs3 s LEU 135 Ca 0.00 0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 53.26 2bs3 s LEU 135 Cb 0.00 -3.32 -0.08 0.00 0.03 0.00 0.00 46.19 42.82 2bs3 s LEU 135 CO 0.00 -0.92 1.63 -0.63 0.23 0.00 0.00 176.35 176.66 2bs3 s ILE 136 N -2.79 3.01 0.88 -0.59 1.01 -1.26 -0.81 121.20 120.65 2bs3 s ILE 136 Ca 0.52 0.50 -0.14 0.00 0.00 0.00 0.00 60.65 61.54 2bs3 s ILE 136 Cb -0.10 -3.32 0.14 0.00 0.01 0.00 0.00 42.46 39.19 2bs3 s ILE 136 CO 0.42 0.00 1.24 -2.28 0.00 0.00 0.00 174.94 174.32 2bs3 s HIS 137 N 2.44 2.19 0.04 3.97 2.46 -0.38 -4.55 115.29 121.46 2bs3 s HIS 137 Ca 0.73 0.47 -0.14 0.00 0.47 0.00 0.00 55.06 56.59 2bs3 s HIS 137 Cb -0.40 -3.80 0.02 0.00 -0.13 0.00 0.00 32.58 28.27 2bs3 s HIS 137 CO 0.32 -2.22 0.32 -1.12 -2.47 0.00 0.00 174.74 169.56 2bs3 s SER 138 N -4.75 -0.14 0.26 9.88 0.01 -1.26 -4.42 113.70 113.28 2bs3 s SER 138 Ca 0.68 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.79 2bs3 s SER 138 Cb -0.07 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 2bs3 s SER 138 CO 0.51 -0.62 0.08 0.00 0.41 0.00 0.00 173.24 173.61 2bs3 s ARG 139 N -2.57 1.41 -0.19 12.44 1.70 -0.27 -4.90 118.95 126.57 2bs3 s ARG 139 Ca -0.05 -1.76 -0.29 0.00 -0.47 0.00 0.00 55.73 53.16 2bs3 s ARG 139 Cb -0.01 -0.35 -0.02 0.00 -0.57 0.00 0.00 34.95 34.00 2bs3 s ARG 139 CO -0.03 -0.26 1.37 0.34 -1.08 0.00 0.00 175.30 175.64 2bs3 s ASP 140 N -3.32 6.78 -0.28 -2.89 2.15 -1.26 -3.42 116.67 114.42 2bs3 s ASP 140 Ca 0.36 1.65 -0.22 0.00 0.43 0.00 0.00 52.55 54.77 2bs3 s ASP 140 Cb 0.08 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 40.27 2bs3 s ASP 140 CO 0.13 -0.92 0.92 0.12 -0.17 0.00 0.00 175.17 175.25 2bs3 s PHE 141 N 3.98 -0.63 0.00 -5.34 5.36 -1.26 -4.94 117.98 115.14 2bs3 s PHE 141 Ca 0.60 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 2bs3 s PHE 141 Cb -0.23 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 42.84 2bs3 s PHE 141 CO 0.20 -0.31 0.00 0.41 -1.46 0.00 0.00 175.22 174.06 2bs3 n GLY 142 N 2.95 0.76 2.35 13.12 0.00 -1.26 -4.14 105.19 118.97 2bs3 n GLY 142 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 2bs3 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs3 n GLY 143 N -2.26 0.81 3.77 -0.02 0.00 -1.26 -4.50 105.19 101.73 2bs3 n GLY 143 Ca 0.00 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 2bs3 n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bs3 s THR 144 N -2.05 4.35 0.22 2.61 -4.23 -1.26 -4.96 115.64 110.31 2bs3 s THR 144 Ca 0.00 1.73 -0.08 0.00 -1.18 0.00 0.00 61.69 62.16 2bs3 s THR 144 Cb 0.00 -4.15 0.16 0.00 1.34 0.00 0.00 72.50 69.85 2bs3 s THR 144 CO 0.00 0.52 1.81 0.50 -0.54 0.00 0.00 174.62 176.92 2bs3 h LYS 145 N 4.31 0.71 -5.81 3.99 3.64 -1.96 -3.39 116.57 118.06 2bs3 h LYS 145 Ca -0.47 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.29 2bs3 h LYS 145 Cb 1.21 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.79 2bs3 h LYS 145 CO 0.66 0.47 0.14 0.21 -2.27 0.00 0.00 179.45 178.66 2bs3 s LYS 146 N -6.09 4.30 -0.57 1.90 2.47 -1.26 -5.00 119.74 115.49 2bs3 s LYS 146 Ca -0.13 0.75 -0.28 0.00 -1.56 0.00 0.00 55.97 54.75 2bs3 s LYS 146 Cb 0.17 -3.53 0.02 0.00 -1.46 0.00 0.00 37.83 33.02 2bs3 s LYS 146 CO 0.77 -0.15 1.36 -1.58 0.16 0.00 0.00 175.35 175.91 2bs3 s TRP 147 N 1.57 2.37 -0.04 4.03 0.52 -0.81 -4.80 118.94 121.78 2bs3 s TRP 147 Ca 0.33 0.45 0.06 0.00 0.02 0.00 0.00 56.10 56.95 2bs3 s TRP 147 Cb -0.16 -4.43 0.09 0.00 -1.15 0.00 0.00 33.47 27.82 2bs3 s TRP 147 CO 0.13 -1.88 0.94 2.89 0.02 0.00 0.00 176.95 179.05 2bs3 n ARG 148 N 8.61 1.20 -2.88 4.98 1.85 -1.26 -4.10 116.66 125.06 2bs3 n ARG 148 Ca 0.11 -1.51 -0.43 0.00 -1.00 0.00 0.00 57.85 55.02 2bs3 n ARG 148 Cb 0.49 -0.94 -0.05 0.00 -1.05 0.00 0.00 32.46 30.92 2bs3 n ARG 148 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2bs3 s THR 149 N -1.14 4.57 0.33 8.89 2.01 -1.22 -1.98 115.64 127.10 2bs3 s THR 149 Ca 0.10 0.74 -0.15 0.00 0.31 0.00 0.00 61.69 62.69 2bs3 s THR 149 Cb 0.08 -4.36 -0.09 0.00 0.01 0.00 0.00 72.50 68.15 2bs3 s THR 149 CO 0.01 -0.71 0.74 0.00 -0.69 0.00 0.00 174.62 173.97 2bs3 s TYR 151 N -1.99 -0.30 -0.75 0.00 1.13 -1.26 -0.38 117.35 113.79 2bs3 s TYR 151 Ca 0.54 0.08 -0.00 0.00 -1.41 0.00 0.00 57.07 56.28 2bs3 s TYR 151 Cb -0.10 0.33 0.19 0.00 -1.10 0.00 0.00 41.96 41.27 2bs3 s TYR 151 CO 0.17 -0.71 0.58 0.95 -2.51 0.00 0.00 175.55 174.03 2bs3 s THR 152 N -3.51 3.71 0.00 -3.49 -4.23 -1.26 -0.58 115.64 106.29 2bs3 s THR 152 Ca 0.01 -3.68 0.00 0.00 -1.18 0.00 0.00 61.69 56.84 2bs3 s THR 152 Cb 0.01 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.47 2bs3 s THR 152 CO -0.10 -0.99 0.00 0.00 -0.54 0.00 0.00 174.62 172.99 2bs3 n ALA 153 N 2.61 0.00 -1.09 3.99 0.00 -1.26 -1.95 120.51 122.82 2bs3 n ALA 153 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2bs3 n ALA 153 Cb 0.36 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.09 2bs3 n ALA 153 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2bs3 n ASP 154 N 4.38 4.21 -2.76 0.00 5.75 -1.26 -4.61 116.55 122.26 2bs3 n ASP 154 Ca 0.00 -3.23 -0.10 0.00 -0.01 0.00 0.00 54.79 51.45 2bs3 n ASP 154 Cb 0.00 -0.66 0.04 0.00 -1.03 0.00 0.00 41.12 39.47 2bs3 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bs3 n ALA 155 N -0.38 2.56 0.16 2.12 0.00 -0.82 -4.74 120.51 119.41 2bs3 n ALA 155 Ca 0.32 -2.74 -0.14 0.00 0.00 0.00 0.00 53.44 50.88 2bs3 n ALA 155 Cb 1.15 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 2bs3 n ALA 155 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2bs3 h THR 156 N 2.49 0.69 -0.90 0.00 2.02 -1.62 -2.21 112.91 113.38 2bs3 h THR 156 Ca -0.10 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.17 2bs3 h THR 156 Cb 1.16 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 2bs3 h THR 156 CO 0.37 0.00 0.55 1.23 0.37 0.00 0.00 175.52 178.04 2bs3 h GLY 157 N -0.38 1.40 0.86 2.16 0.00 -0.98 -1.21 103.07 104.92 2bs3 h GLY 157 Ca -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2bs3 h GLY 157 CO 0.03 0.20 -0.26 0.84 0.00 0.00 0.00 176.54 177.35 2bs3 h HIS 158 N 0.94 -0.68 -0.29 5.60 6.17 -1.29 -0.25 115.15 125.35 2bs3 h HIS 158 Ca 0.42 -0.01 -0.08 0.00 0.71 0.00 0.00 60.37 61.41 2bs3 h HIS 158 Cb 0.31 0.25 -0.02 0.00 2.52 0.00 0.00 27.41 30.47 2bs3 h HIS 158 CO -0.03 -0.40 -0.15 1.79 0.71 0.00 0.00 177.93 179.85 2bs3 h THR 159 N -0.63 1.24 -0.07 6.26 1.35 -1.16 -1.76 112.91 118.13 2bs3 h THR 159 Ca -0.04 -1.09 -0.01 0.00 -0.55 0.00 0.00 66.41 64.72 2bs3 h THR 159 Cb 0.53 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2bs3 h THR 159 CO 0.03 0.35 -0.00 0.24 -0.25 0.00 0.00 175.52 175.89 2bs3 h MET 160 N 0.47 0.13 -0.37 4.72 2.86 -1.09 -2.41 114.93 119.24 2bs3 h MET 160 Ca 0.08 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2bs3 h MET 160 Cb 0.54 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2bs3 h MET 160 CO 0.03 0.41 0.23 1.25 1.06 0.00 0.00 176.91 179.89 2bs3 h LEU 161 N -0.16 0.38 -1.05 1.22 5.85 -0.91 -2.37 115.31 118.27 2bs3 h LEU 161 Ca 0.02 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2bs3 h LEU 161 Cb 0.35 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2bs3 h LEU 161 CO 0.00 0.27 0.64 -0.26 -0.34 0.00 0.00 178.44 178.76 2bs3 h PHE 162 N 0.46 1.20 -0.14 1.25 -1.00 -1.32 -0.44 116.94 116.96 2bs3 h PHE 162 Ca 0.14 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 2bs3 h PHE 162 Cb -0.02 -0.41 -0.01 0.00 3.61 0.00 0.00 35.95 39.13 2bs3 h PHE 162 CO -0.07 0.74 0.03 0.00 -1.61 0.00 0.00 178.31 177.40 2bs3 h ALA 163 N 1.41 0.18 -0.42 2.45 0.00 -1.10 0.32 119.26 122.10 2bs3 h ALA 163 Ca 0.37 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2bs3 h ALA 163 Cb -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2bs3 h ALA 163 CO -0.09 -0.19 -0.13 0.28 0.00 0.00 0.00 179.25 179.12 2bs3 h VAL 164 N 0.02 1.26 -0.55 0.00 2.07 -1.22 -0.71 116.25 117.13 2bs3 h VAL 164 Ca 0.04 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.28 2bs3 h VAL 164 Cb 0.25 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2bs3 h VAL 164 CO 0.00 0.40 0.00 0.00 0.02 0.00 0.00 177.57 178.00 2bs3 h ALA 165 N 1.16 0.74 -0.25 1.67 0.00 -0.98 -1.99 119.26 119.61 2bs3 h ALA 165 Ca 0.11 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2bs3 h ALA 165 Cb 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2bs3 h ALA 165 CO 0.04 0.56 -0.16 -0.91 0.00 0.00 0.00 179.25 178.78 2bs3 h ASN 166 N 0.84 0.42 -0.37 0.00 2.35 -0.58 -1.90 115.58 116.35 2bs3 h ASN 166 Ca 0.16 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 2bs3 h ASN 166 Cb 0.53 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 2bs3 h ASN 166 CO 0.03 0.61 -0.06 -0.33 -1.65 0.00 0.00 177.43 176.03 2bs3 h GLU 167 N 0.40 0.78 -0.76 0.81 4.39 -0.77 0.29 114.58 119.73 2bs3 h GLU 167 Ca 0.07 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 2bs3 h GLU 167 Cb 0.52 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2bs3 h GLU 167 CO 0.03 0.83 0.25 0.00 -1.16 0.00 0.00 179.01 178.95 2bs3 h LEU 169 N 1.13 1.00 -0.26 0.00 3.38 -0.89 -0.30 115.31 119.36 2bs3 h LEU 169 Ca 0.25 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2bs3 h LEU 169 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2bs3 h LEU 169 CO -0.01 1.10 0.13 0.50 0.09 0.00 0.00 178.44 180.25 2bs3 h LYS 170 N 0.89 0.26 0.00 1.13 3.64 -0.46 -2.55 116.57 119.48 2bs3 h LYS 170 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2bs3 h LYS 170 Cb 0.65 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2bs3 h LYS 170 CO 0.05 0.18 0.00 1.28 -2.27 0.00 0.00 179.45 178.68 2bs3 n LEU 171 N -4.98 0.00 0.00 5.20 4.77 -0.36 -4.91 117.00 116.73 2bs3 n LEU 171 Ca -0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2bs3 n LEU 171 Cb 0.06 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2bs3 n LEU 171 CO 0.31 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2bs3 n GLY 172 N 0.78 0.46 3.77 -0.72 0.00 -0.78 -4.97 105.19 103.74 2bs3 n GLY 172 Ca 0.11 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 2bs3 n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bs3 s VAL 173 N -2.00 2.32 -0.52 1.61 1.01 -0.19 -4.93 120.40 117.70 2bs3 s VAL 173 Ca 0.00 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.04 2bs3 s VAL 173 Cb 0.00 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.25 2bs3 s VAL 173 CO 0.00 0.04 0.87 -0.55 0.00 0.00 0.00 175.10 175.46 2bs3 s SER 174 N -0.61 6.35 -0.30 3.32 0.15 -0.89 -4.78 113.70 116.94 2bs3 s SER 174 Ca 0.59 -0.33 -0.16 0.00 0.70 0.00 0.00 55.95 56.75 2bs3 s SER 174 Cb -0.41 -2.41 -0.02 0.00 -1.71 0.00 0.00 66.02 61.47 2bs3 s SER 174 CO 0.53 -1.11 0.42 -0.63 1.20 0.00 0.00 173.24 173.65 2bs3 s ILE 175 N 3.64 5.13 -0.33 6.45 -1.09 -1.26 -0.73 121.20 133.00 2bs3 s ILE 175 Ca 0.29 0.45 0.03 0.00 -2.23 0.00 0.00 60.65 59.19 2bs3 s ILE 175 Cb -0.13 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.05 2bs3 s ILE 175 CO 0.20 0.01 0.05 -1.10 -1.23 0.00 0.00 174.94 172.87 2bs3 s GLN 176 N 2.16 1.39 0.75 2.79 -0.21 0.03 -4.97 119.66 121.60 2bs3 s GLN 176 Ca 0.16 -1.74 -0.04 0.00 0.02 0.00 0.00 55.36 53.75 2bs3 s GLN 176 Cb -0.16 -3.02 0.12 0.00 1.00 0.00 0.00 33.01 30.95 2bs3 s GLN 176 CO 0.11 -0.93 1.04 0.16 -2.12 0.00 0.00 175.29 173.54 2bs3 s ASP 177 N 1.01 4.26 -1.57 5.90 -4.77 -1.26 -2.05 116.67 118.19 2bs3 s ASP 177 Ca 0.10 -0.10 -0.13 0.00 -3.30 0.00 0.00 52.55 49.12 2bs3 s ASP 177 Cb -0.19 -0.30 0.10 0.00 -1.09 0.00 0.00 42.92 41.44 2bs3 s ASP 177 CO -0.10 -1.93 0.83 0.54 0.70 0.00 0.00 175.17 175.20 2bs3 n ARG 178 N -2.98 -4.31 -4.25 2.11 1.74 0.31 -4.84 116.66 104.43 2bs3 n ARG 178 Ca 0.13 0.49 -0.23 0.00 -0.77 0.00 0.00 57.85 57.48 2bs3 n ARG 178 Cb 0.60 -5.21 -0.17 0.00 -1.02 0.00 0.00 32.46 26.67 2bs3 n ARG 178 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2bs3 s LYS 179 N -6.70 1.19 -0.13 5.56 2.47 -0.57 -1.53 119.74 120.03 2bs3 s LYS 179 Ca 0.58 -0.21 0.02 0.00 -1.56 0.00 0.00 55.97 54.80 2bs3 s LYS 179 Cb -0.30 -1.13 0.01 0.00 -1.46 0.00 0.00 37.83 34.95 2bs3 s LYS 179 CO 0.87 -0.08 -0.20 -2.00 0.16 0.00 0.00 175.35 174.11 2bs3 s GLU 180 N 1.00 2.76 -0.12 4.03 2.12 -0.39 -3.31 118.70 124.78 2bs3 s GLU 180 Ca -0.09 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 2bs3 s GLU 180 Cb -0.14 -2.26 -0.02 0.00 0.26 0.00 0.00 34.13 31.96 2bs3 s GLU 180 CO -0.00 -0.04 1.18 0.00 -0.54 0.00 0.00 175.26 175.86 2bs3 s ALA 181 N 0.90 3.56 -0.69 6.30 0.00 -1.26 -0.45 121.76 130.12 2bs3 s ALA 181 Ca -0.06 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.45 2bs3 s ALA 181 Cb -0.15 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.44 2bs3 s ALA 181 CO -0.02 -0.92 0.57 0.44 0.00 0.00 0.00 175.76 175.83 2bs3 n ILE 182 N 4.95 0.00 -3.58 0.00 -5.35 -0.58 -4.87 119.36 109.93 2bs3 n ILE 182 Ca 0.12 -0.45 -0.09 0.00 -0.27 0.00 0.00 62.75 62.06 2bs3 n ILE 182 Cb 0.46 1.10 -0.05 0.00 -1.74 0.00 0.00 39.64 39.41 2bs3 n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bs3 s ALA 183 N -0.93 -1.96 -0.11 -1.28 0.00 -1.21 -4.89 121.76 111.39 2bs3 s ALA 183 Ca 0.06 1.60 -0.06 0.00 0.00 0.00 0.00 51.96 53.56 2bs3 s ALA 183 Cb 0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2bs3 s ALA 183 CO 0.15 -0.33 0.11 -0.51 0.00 0.00 0.00 175.76 175.17 2bs3 s LEU 184 N -1.21 4.19 -0.23 0.00 1.43 -1.26 -0.32 118.68 121.28 2bs3 s LEU 184 Ca 0.00 0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.30 2bs3 s LEU 184 Cb -0.01 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2bs3 s LEU 184 CO -0.00 0.40 0.55 -0.63 0.23 0.00 0.00 176.35 176.90 2bs3 s ILE 185 N -1.00 5.06 0.05 -0.59 1.01 0.47 -4.85 121.20 121.34 2bs3 s ILE 185 Ca 0.15 1.00 -0.10 0.00 0.00 0.00 0.00 60.65 61.70 2bs3 s ILE 185 Cb -0.12 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.49 2bs3 s ILE 185 CO 0.04 0.11 0.22 -1.38 0.00 0.00 0.00 174.94 173.94 2bs3 s HIS 186 N 2.03 0.03 -0.25 3.97 -3.43 -1.26 -0.47 115.29 115.90 2bs3 s HIS 186 Ca 0.24 -0.27 -0.26 0.00 -0.80 0.00 0.00 55.06 53.98 2bs3 s HIS 186 Cb -0.16 0.00 0.08 0.00 -1.43 0.00 0.00 32.58 31.07 2bs3 s HIS 186 CO 0.09 -0.47 0.76 -1.14 -2.00 0.00 0.00 174.74 171.98 2bs3 s GLN 187 N -2.81 0.82 -1.42 -0.38 0.74 -0.43 -4.95 119.66 111.23 2bs3 s GLN 187 Ca -0.03 0.87 -0.10 0.00 0.05 0.00 0.00 55.36 56.14 2bs3 s GLN 187 Cb 0.00 0.40 0.07 0.00 1.10 0.00 0.00 33.01 34.58 2bs3 s GLN 187 CO -0.05 -0.12 0.66 -0.25 -0.55 0.00 0.00 175.29 174.98 2bs3 n ASP 188 N 2.43 -4.38 -0.25 6.67 8.00 -1.26 -1.24 116.55 126.51 2bs3 n ASP 188 Ca -0.14 -0.51 -0.03 0.00 0.71 0.00 0.00 54.79 54.81 2bs3 n ASP 188 Cb 0.55 -3.57 -0.01 0.00 -0.02 0.00 0.00 41.12 38.07 2bs3 n ASP 188 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs3 n GLY 189 N -1.38 0.62 3.26 0.44 0.00 -1.26 -5.02 105.19 101.85 2bs3 n GLY 189 Ca -0.01 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 2bs3 n GLY 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bs3 s LYS 190 N -1.62 1.37 -0.21 1.61 1.02 -0.37 -1.89 119.74 119.65 2bs3 s LYS 190 Ca 0.00 -0.99 -0.12 0.00 0.02 0.00 0.00 55.97 54.88 2bs3 s LYS 190 Cb 0.00 -1.52 -0.05 0.00 -0.52 0.00 0.00 37.83 35.74 2bs3 s LYS 190 CO 0.00 0.38 0.21 0.00 -0.92 0.00 0.00 175.35 175.02 2bs3 n TYR 192 N 4.03 0.24 -0.09 0.00 4.01 0.37 -4.74 117.16 120.99 2bs3 n TYR 192 Ca -0.14 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.23 2bs3 n TYR 192 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 2bs3 n TYR 192 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bs3 n GLY 193 N 0.28 0.80 3.11 2.72 0.00 -1.21 -1.26 105.19 109.63 2bs3 n GLY 193 Ca 0.07 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 2bs3 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 s ALA 194 N -1.00 -0.14 -0.12 4.61 0.00 -0.01 -0.40 121.76 124.71 2bs3 s ALA 194 Ca 0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 2bs3 s ALA 194 Cb 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2bs3 s ALA 194 CO 0.00 -0.28 0.50 0.08 0.00 0.00 0.00 175.76 176.05 2bs3 s VAL 195 N -2.23 5.17 -0.01 0.00 1.01 0.56 -0.58 120.40 124.31 2bs3 s VAL 195 Ca -0.08 0.99 0.08 0.00 0.00 0.00 0.00 61.98 62.97 2bs3 s VAL 195 Cb -0.03 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2bs3 s VAL 195 CO -0.03 0.31 -0.24 -0.69 0.00 0.00 0.00 175.10 174.45 2bs3 s VAL 196 N 0.72 1.92 -0.21 2.92 1.01 0.27 -1.52 120.40 125.50 2bs3 s VAL 196 Ca 0.27 -1.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 2bs3 s VAL 196 Cb -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2bs3 s VAL 196 CO 0.11 0.53 0.04 -0.60 0.00 0.00 0.00 175.10 175.17 2bs3 s ARG 197 N -0.62 3.72 -0.34 2.72 3.52 0.41 0.00 118.95 128.36 2bs3 s ARG 197 Ca 0.09 -0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 54.94 2bs3 s ARG 197 Cb -0.09 -3.18 0.01 0.00 -1.56 0.00 0.00 34.95 30.13 2bs3 s ARG 197 CO -0.01 0.03 1.19 0.34 -0.81 0.00 0.00 175.30 176.04 2bs3 s ASP 198 N 0.99 6.76 0.54 -2.12 -1.08 0.22 -1.26 116.67 120.72 2bs3 s ASP 198 Ca 0.03 0.99 0.28 0.00 -0.52 0.00 0.00 52.55 53.33 2bs3 s ASP 198 Cb -0.14 -2.54 1.56 0.00 -1.46 0.00 0.00 42.92 40.33 2bs3 s ASP 198 CO 0.02 -1.05 2.13 -0.07 0.52 0.00 0.00 175.17 176.72 2bs3 h LEU 199 N 10.68 0.00 0.00 -1.34 3.38 -1.61 0.52 115.31 126.94 2bs3 h LEU 199 Ca -0.23 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2bs3 h LEU 199 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2bs3 h LEU 199 CO 1.05 0.08 -0.31 0.58 0.09 0.00 0.00 178.44 179.93 2bs3 h VAL 200 N 0.00 0.82 0.00 1.22 2.07 -1.91 -2.59 116.25 115.86 2bs3 h VAL 200 Ca -0.00 -1.70 -0.07 0.00 0.82 0.00 0.00 66.70 65.74 2bs3 h VAL 200 Cb 0.24 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2bs3 h VAL 200 CO 0.01 0.28 -1.13 0.71 0.02 0.00 0.00 177.57 177.46 2bs3 h THR 201 N -1.00 0.22 0.00 2.57 1.35 -1.92 -2.23 112.91 111.90 2bs3 h THR 201 Ca -0.07 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 2bs3 h THR 201 Cb 0.68 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2bs3 h THR 201 CO -0.04 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 2bs3 n GLY 202 N 1.27 0.98 3.76 5.82 0.00 0.18 -4.22 105.19 112.98 2bs3 n GLY 202 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2bs3 n GLY 202 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bs3 s ASP 203 N -3.04 5.67 -0.23 1.61 1.01 -1.25 -4.64 116.67 115.80 2bs3 s ASP 203 Ca 0.00 2.70 -0.07 0.00 0.71 0.00 0.00 52.55 55.88 2bs3 s ASP 203 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 2bs3 s ASP 203 CO 0.00 -1.29 0.07 -0.63 0.21 0.00 0.00 175.17 173.52 2bs3 s ILE 204 N -1.32 4.40 0.02 0.77 -1.09 -1.26 -0.61 121.20 122.11 2bs3 s ILE 204 Ca 0.66 -0.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.99 2bs3 s ILE 204 Cb -0.39 -3.04 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 2bs3 s ILE 204 CO 0.47 0.37 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.76 2bs3 s ILE 205 N 1.31 1.29 -0.26 2.92 1.01 0.10 -4.63 121.20 122.94 2bs3 s ILE 205 Ca 0.05 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 2bs3 s ILE 205 Cb -0.15 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 2bs3 s ILE 205 CO 0.03 0.17 0.26 0.00 0.00 0.00 0.00 174.94 175.40 2bs3 s ALA 206 N -0.67 3.56 -0.35 9.38 0.00 -0.79 0.94 121.76 133.83 2bs3 s ALA 206 Ca 0.05 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 2bs3 s ALA 206 Cb -0.07 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.55 2bs3 s ALA 206 CO 0.01 -0.45 0.16 0.71 0.00 0.00 0.00 175.76 176.19 2bs3 s TYR 207 N 1.60 3.22 0.03 0.00 1.51 0.25 -1.09 117.35 122.87 2bs3 s TYR 207 Ca 0.11 -0.97 0.01 0.00 -1.01 0.00 0.00 57.07 55.21 2bs3 s TYR 207 Cb -0.15 -2.37 -0.04 0.00 -0.11 0.00 0.00 41.96 39.29 2bs3 s TYR 207 CO 0.09 -0.62 0.07 0.14 -1.11 0.00 0.00 175.55 174.12 2bs3 s VAL 208 N 1.53 4.57 0.20 0.71 -7.23 -0.08 -0.83 120.40 119.27 2bs3 s VAL 208 Ca 0.02 -0.57 -0.20 0.00 -1.81 0.00 0.00 61.98 59.41 2bs3 s VAL 208 Cb -0.19 -3.12 0.04 0.00 0.56 0.00 0.00 36.38 33.68 2bs3 s VAL 208 CO 0.05 0.27 0.60 0.00 -0.31 0.00 0.00 175.10 175.71 2bs3 s ALA 209 N -1.25 -1.27 -0.17 1.32 0.00 -0.39 -2.39 121.76 117.62 2bs3 s ALA 209 Ca 0.25 0.05 0.27 0.00 0.00 0.00 0.00 51.96 52.52 2bs3 s ALA 209 Cb -0.12 0.86 0.76 0.00 0.00 0.00 0.00 23.12 24.63 2bs3 s ALA 209 CO 0.16 -0.84 1.76 0.87 0.00 0.00 0.00 175.76 177.71 2bs3 h LYS 210 N 2.08 0.00 -2.63 0.00 1.57 -1.55 -3.40 116.57 112.63 2bs3 h LYS 210 Ca -0.29 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 2bs3 h LYS 210 Cb 1.28 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.37 2bs3 h LYS 210 CO 0.34 0.05 -0.15 0.20 -0.57 0.00 0.00 179.45 179.33 2bs3 s GLY 211 N -4.22 -0.33 -0.07 3.86 0.00 -1.18 -4.78 107.32 100.60 2bs3 s GLY 211 Ca 0.04 1.06 0.03 0.00 0.00 0.00 0.00 44.72 45.85 2bs3 s GLY 211 CO 0.62 0.84 -0.15 -1.59 0.00 0.00 0.00 173.10 172.82 2bs3 s THR 212 N -0.37 1.36 -0.13 0.90 2.01 0.13 -1.61 115.64 117.93 2bs3 s THR 212 Ca -0.05 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.35 2bs3 s THR 212 Cb -0.03 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.27 2bs3 s THR 212 CO 0.03 0.40 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.93 2bs3 s LEU 213 N 0.45 2.18 -0.28 4.42 0.20 0.21 0.19 118.68 126.05 2bs3 s LEU 213 Ca -0.13 -0.56 -0.10 0.00 0.69 0.00 0.00 54.13 54.03 2bs3 s LEU 213 Cb -0.15 -1.46 -0.04 0.00 -0.43 0.00 0.00 46.19 44.11 2bs3 s LEU 213 CO 0.04 0.11 0.17 -0.63 -0.29 0.00 0.00 176.35 175.75 2bs3 s ILE 214 N 0.64 5.10 -0.39 6.68 1.01 0.10 -0.06 121.20 134.28 2bs3 s ILE 214 Ca -0.11 0.06 0.11 0.00 0.00 0.00 0.00 60.65 60.72 2bs3 s ILE 214 Cb -0.16 -3.44 0.35 0.00 0.01 0.00 0.00 42.46 39.22 2bs3 s ILE 214 CO 0.02 0.25 0.75 0.00 0.00 0.00 0.00 174.94 175.95 2bs3 n ALA 215 N 5.03 2.21 0.69 9.38 0.00 0.70 -2.33 120.51 136.19 2bs3 n ALA 215 Ca -0.14 -3.50 0.06 0.00 0.00 0.00 0.00 53.44 49.86 2bs3 n ALA 215 Cb 0.52 -0.91 0.18 0.00 0.00 0.00 0.00 19.45 19.23 2bs3 n ALA 215 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bs3 n THR 216 N 0.25 0.58 -3.99 0.00 -2.24 -1.24 -4.31 114.28 103.33 2bs3 n THR 216 Ca 0.25 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2bs3 n THR 216 Cb 0.64 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 2bs3 n THR 216 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bs3 n GLY 217 N 1.10 -1.74 3.98 3.38 0.00 -1.26 -4.83 105.19 105.82 2bs3 n GLY 217 Ca 0.13 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 2bs3 n GLY 217 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bs3 s GLY 218 N -0.39 1.76 -0.24 -0.02 0.00 -1.26 -2.72 107.32 104.45 2bs3 s GLY 218 Ca 0.00 -1.67 0.10 0.00 0.00 0.00 0.00 44.72 43.15 2bs3 s GLY 218 CO 0.00 -1.03 1.26 1.58 0.00 0.00 0.00 173.10 174.91 2bs3 n TYR 219 N -3.09 0.66 0.29 1.90 0.18 -1.26 -3.33 117.16 112.51 2bs3 n TYR 219 Ca 0.16 -1.66 0.14 0.00 1.88 0.00 0.00 57.90 58.42 2bs3 n TYR 219 Cb 0.60 -0.31 0.86 0.00 -0.38 0.00 0.00 39.34 40.11 2bs3 n TYR 219 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2bs3 h GLY 220 N 1.21 0.00 0.59 -7.48 0.00 -1.91 -2.87 103.07 92.61 2bs3 h GLY 220 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2bs3 h GLY 220 CO 0.20 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.28 2bs3 n ARG 221 N -3.98 0.55 0.02 4.80 5.12 -0.52 -1.71 116.66 120.93 2bs3 n ARG 221 Ca -0.03 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.01 2bs3 n ARG 221 Cb 0.09 -1.29 0.53 0.00 -1.16 0.00 0.00 32.46 30.62 2bs3 n ARG 221 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2bs3 n ILE 222 N -0.79 0.30 -3.94 0.55 -5.35 -1.08 -4.73 119.36 104.31 2bs3 n ILE 222 Ca 0.08 0.03 -0.28 0.00 -0.27 0.00 0.00 62.75 62.31 2bs3 n ILE 222 Cb 0.04 -0.64 -0.03 0.00 -1.74 0.00 0.00 39.64 37.27 2bs3 n ILE 222 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2bs3 s TYR 223 N -3.02 3.48 0.02 4.28 1.51 -0.70 -3.76 117.35 119.16 2bs3 s TYR 223 Ca 0.12 0.15 -0.21 0.00 -1.01 0.00 0.00 57.07 56.13 2bs3 s TYR 223 Cb 0.16 -1.69 -0.18 0.00 -0.11 0.00 0.00 41.96 40.14 2bs3 s TYR 223 CO 0.48 0.54 1.23 -0.22 -1.11 0.00 0.00 175.55 176.47 2bs3 h LYS 224 N 2.46 0.34 -4.69 -0.62 3.64 -1.79 -3.42 116.57 112.49 2bs3 h LYS 224 Ca -0.47 -0.25 -0.68 0.00 -1.27 0.00 0.00 60.65 57.98 2bs3 h LYS 224 Cb 1.18 0.04 -0.20 0.00 -0.41 0.00 0.00 32.23 32.85 2bs3 h LYS 224 CO 0.71 0.86 -0.48 -0.80 -2.27 0.00 0.00 179.45 177.47 2bs3 s ASN 225 N -6.31 5.98 0.08 4.20 0.02 -1.26 -5.06 114.94 112.59 2bs3 s ASN 225 Ca -0.14 -0.52 -0.16 0.00 -1.02 0.00 0.00 52.86 51.03 2bs3 s ASN 225 Cb 0.04 -2.12 0.03 0.00 0.02 0.00 0.00 41.25 39.22 2bs3 s ASN 225 CO 0.77 -0.26 0.37 0.28 0.02 0.00 0.00 177.10 178.27 2bs3 s THR 226 N 1.70 0.07 -0.72 1.60 -1.32 -1.26 -2.62 115.64 113.09 2bs3 s THR 226 Ca 0.06 -0.61 0.25 0.00 -1.21 0.00 0.00 61.69 60.17 2bs3 s THR 226 Cb -0.18 -1.07 0.06 0.00 -1.51 0.00 0.00 72.50 69.81 2bs3 s THR 226 CO 0.10 -0.34 1.38 0.35 -2.21 0.00 0.00 174.62 173.90 2bs3 n THR 227 N 0.20 0.30 -1.80 5.08 -2.24 -0.44 -4.54 114.28 110.82 2bs3 n THR 227 Ca -0.17 -0.22 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 2bs3 n THR 227 Cb 0.61 -0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.79 2bs3 n THR 227 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2bs3 s ASN 228 N -3.99 4.88 0.91 3.42 0.02 -1.26 -4.87 114.94 114.06 2bs3 s ASN 228 Ca 0.08 2.32 -0.11 0.00 -1.02 0.00 0.00 52.86 54.13 2bs3 s ASN 228 Cb 0.14 -2.59 0.14 0.00 0.02 0.00 0.00 41.25 38.97 2bs3 s ASN 228 CO 0.70 -1.80 1.11 0.00 0.02 0.00 0.00 177.10 177.14 2bs3 s ALA 229 N -1.82 1.39 -0.83 0.60 0.00 -1.26 -4.88 121.76 114.97 2bs3 s ALA 229 Ca 0.75 0.37 0.14 0.00 0.00 0.00 0.00 51.96 53.22 2bs3 s ALA 229 Cb -0.28 -3.36 0.63 0.00 0.00 0.00 0.00 23.12 20.10 2bs3 s ALA 229 CO 0.38 -2.65 1.45 1.33 0.00 0.00 0.00 175.76 176.26 2bs3 n VAL 230 N -4.14 1.15 1.26 0.00 0.24 -1.26 -2.40 118.33 113.17 2bs3 n VAL 230 Ca 0.10 0.33 0.13 0.00 -2.04 0.00 0.00 64.34 62.85 2bs3 n VAL 230 Cb 0.53 -1.18 0.35 0.00 -1.47 0.00 0.00 33.84 32.07 2bs3 n VAL 230 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2bs3 n VAL 231 N -1.72 0.00 -2.09 3.34 0.24 -1.26 -4.59 118.33 112.25 2bs3 n VAL 231 Ca 0.02 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 2bs3 n VAL 231 Cb 0.14 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 2bs3 n VAL 231 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bs3 n GLU 233 N 4.99 1.85 -1.73 0.00 1.02 -1.25 -1.44 120.64 124.07 2bs3 n GLU 233 Ca 0.45 -1.78 -0.10 0.00 -0.02 0.00 0.00 57.16 55.72 2bs3 n GLU 233 Cb 0.38 -1.38 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 2bs3 n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bs3 n GLY 234 N 1.11 0.54 0.18 0.62 0.00 -1.21 -4.67 105.19 101.76 2bs3 n GLY 234 Ca 0.13 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.63 2bs3 n GLY 234 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bs3 h THR 235 N 0.00 1.23 -0.57 2.61 1.35 -1.91 -1.07 112.91 114.55 2bs3 h THR 235 Ca -0.21 -1.39 -0.07 0.00 -0.55 0.00 0.00 66.41 64.19 2bs3 h THR 235 Cb 0.90 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 69.05 2bs3 h THR 235 CO 0.28 0.39 0.07 1.23 -0.25 0.00 0.00 175.52 177.24 2bs3 h GLY 236 N 1.29 1.01 0.85 5.82 0.00 -1.89 -0.57 103.07 109.58 2bs3 h GLY 236 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 2bs3 h GLY 236 CO 0.05 0.61 0.05 -0.84 0.00 0.00 0.00 176.54 176.41 2bs3 h THR 237 N 0.88 1.20 -0.61 4.70 2.02 -1.74 -3.04 112.91 116.32 2bs3 h THR 237 Ca 0.18 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2bs3 h THR 237 Cb 0.42 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2bs3 h THR 237 CO 0.01 0.20 0.39 0.00 0.37 0.00 0.00 175.52 176.50 2bs3 h ALA 238 N 0.86 0.77 0.00 6.16 0.00 -0.77 -1.40 119.26 124.88 2bs3 h ALA 238 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2bs3 h ALA 238 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2bs3 h ALA 238 CO 0.00 0.22 -0.26 -0.84 0.00 0.00 0.00 179.25 178.37 2bs3 h ILE 239 N 0.82 1.16 -0.17 0.00 3.07 -1.10 0.36 117.51 121.66 2bs3 h ILE 239 Ca 0.22 -0.89 -0.09 0.00 1.55 0.00 0.00 64.86 65.65 2bs3 h ILE 239 Cb -0.07 1.48 -0.00 0.00 -0.27 0.00 0.00 36.82 37.96 2bs3 h ILE 239 CO -0.05 0.25 -0.25 0.00 -1.05 0.00 0.00 178.15 177.06 2bs3 h ALA 240 N 1.74 0.26 -0.77 0.16 0.00 -1.36 -3.16 119.26 116.14 2bs3 h ALA 240 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2bs3 h ALA 240 Cb 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2bs3 h ALA 240 CO 0.03 0.24 0.49 1.25 0.00 0.00 0.00 179.25 181.26 2bs3 h LEU 241 N 0.12 0.90 0.00 0.00 5.85 -0.45 -2.61 115.31 119.12 2bs3 h LEU 241 Ca 0.02 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2bs3 h LEU 241 Cb 0.82 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2bs3 h LEU 241 CO 0.06 0.67 0.00 -0.62 -0.34 0.00 0.00 178.44 178.21 2bs3 n GLU 242 N -4.53 0.46 0.22 1.25 1.02 0.12 -1.80 120.64 117.38 2bs3 n GLU 242 Ca 0.07 0.04 0.13 0.00 -0.02 0.00 0.00 57.16 57.38 2bs3 n GLU 242 Cb 0.03 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.24 2bs3 n GLU 242 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2bs3 h THR 243 N 0.00 0.00 0.00 2.62 1.35 -1.45 -3.47 112.91 111.96 2bs3 h THR 243 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2bs3 h THR 243 Cb 0.04 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2bs3 h THR 243 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2bs3 n GLY 244 N 0.93 0.87 0.66 5.82 0.00 -0.74 -4.80 105.19 107.93 2bs3 n GLY 244 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2bs3 n GLY 244 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bs3 n ILE 245 N -2.04 0.16 -2.13 -0.61 5.41 -1.26 -4.01 119.36 114.88 2bs3 n ILE 245 Ca 0.00 -0.05 -0.37 0.00 1.00 0.00 0.00 62.75 63.33 2bs3 n ILE 245 Cb 0.00 -1.27 0.01 0.00 -0.71 0.00 0.00 39.64 37.67 2bs3 n ILE 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bs3 s ALA 246 N -2.05 2.88 0.17 -1.39 0.00 -1.26 -4.64 121.76 115.47 2bs3 s ALA 246 Ca -0.04 1.02 0.09 0.00 0.00 0.00 0.00 51.96 53.03 2bs3 s ALA 246 Cb 0.01 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2bs3 s ALA 246 CO 0.06 -0.87 -0.11 -0.65 0.00 0.00 0.00 175.76 174.18 2bs3 s GLN 247 N -2.84 2.00 -0.11 0.00 -0.21 -1.26 -4.60 119.66 112.64 2bs3 s GLN 247 Ca 0.67 -1.27 -0.03 0.00 0.02 0.00 0.00 55.36 54.75 2bs3 s GLN 247 Cb -0.31 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.53 2bs3 s GLN 247 CO 0.37 0.44 0.02 -0.51 -2.12 0.00 0.00 175.29 173.49 2bs3 s LEU 248 N -2.74 3.68 -0.06 2.90 1.43 0.12 -0.74 118.68 123.28 2bs3 s LEU 248 Ca 0.24 0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2bs3 s LEU 248 Cb -0.09 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2bs3 s LEU 248 CO 0.14 0.34 0.05 -0.83 0.23 0.00 0.00 176.35 176.29 2bs3 s GLY 249 N -0.66 1.96 -1.03 -3.19 0.00 0.20 -0.31 107.32 104.29 2bs3 s GLY 249 Ca 0.11 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.98 2bs3 s GLY 249 CO 0.02 -0.62 0.07 0.70 0.00 0.00 0.00 173.10 173.28 2bs3 n ASN 250 N 1.73 0.11 0.30 1.64 3.02 0.17 -1.91 115.26 120.31 2bs3 n ASN 250 Ca -0.17 -0.88 0.15 0.00 -0.03 0.00 0.00 54.58 53.65 2bs3 n ASN 250 Cb 0.53 -1.09 0.91 0.00 -0.61 0.00 0.00 39.78 39.52 2bs3 n ASN 250 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 2bs3 h MET 251 N -0.91 0.00 0.00 3.52 2.86 -1.84 -0.32 114.93 118.24 2bs3 h MET 251 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2bs3 h MET 251 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2bs3 h MET 251 CO 0.47 0.01 0.00 -0.85 1.06 0.00 0.00 176.91 177.60 2bs3 n GLU 252 N -3.82 0.11 -2.65 1.72 0.00 -1.26 -4.51 120.64 110.22 2bs3 n GLU 252 Ca -0.03 0.23 -0.42 0.00 0.00 0.00 0.00 57.16 56.94 2bs3 n GLU 252 Cb 0.09 -1.67 -0.03 0.00 0.00 0.00 0.00 31.44 29.84 2bs3 n GLU 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2bs3 s ALA 253 N -3.11 2.87 -0.10 -1.84 0.00 -0.13 -4.80 121.76 114.65 2bs3 s ALA 253 Ca 0.09 -2.22 0.03 0.00 0.00 0.00 0.00 51.96 49.86 2bs3 s ALA 253 Cb 0.12 -4.36 -0.01 0.00 0.00 0.00 0.00 23.12 18.88 2bs3 s ALA 253 CO 0.44 -3.40 -0.22 0.08 0.00 0.00 0.00 175.76 172.66 2bs3 s VAL 254 N 4.56 2.30 -0.11 0.00 1.01 -1.26 -2.39 120.40 124.50 2bs3 s VAL 254 Ca 0.40 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 2bs3 s VAL 254 Cb -0.03 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2bs3 s VAL 254 CO -0.05 0.56 0.12 -1.58 0.00 0.00 0.00 175.10 174.14 2bs3 s GLN 255 N 0.22 3.37 0.23 2.72 0.74 -0.14 -4.78 119.66 122.03 2bs3 s GLN 255 Ca -0.14 -0.17 0.08 0.00 0.05 0.00 0.00 55.36 55.18 2bs3 s GLN 255 Cb -0.17 -3.13 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 2bs3 s GLN 255 CO 0.07 0.77 0.08 -0.06 -0.55 0.00 0.00 175.29 175.60 2bs3 s PHE 256 N -1.01 2.92 -0.10 1.67 0.40 -1.26 -0.10 117.98 120.50 2bs3 s PHE 256 Ca 0.15 -0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 2bs3 s PHE 256 Cb -0.12 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.05 2bs3 s PHE 256 CO 0.04 0.55 -0.13 -1.58 0.70 0.00 0.00 175.22 174.80 2bs3 s HIS 257 N -2.06 2.79 0.23 0.36 5.65 0.76 -4.80 115.29 118.23 2bs3 s HIS 257 Ca 0.31 -0.43 -0.01 0.00 0.25 0.00 0.00 55.06 55.18 2bs3 s HIS 257 Cb -0.08 -1.77 0.25 0.00 -1.18 0.00 0.00 32.58 29.80 2bs3 s HIS 257 CO 0.22 -0.04 1.63 -1.00 -0.65 0.00 0.00 174.74 174.89 2bs3 h PRO 258 N 6.16 0.58 -1.19 2.88 0.13 -1.86 -0.76 132.00 137.94 2bs3 h PRO 258 Ca -0.34 -0.27 -0.59 0.00 -0.87 0.00 0.00 66.00 63.93 2bs3 h PRO 258 Cb 1.19 -0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 2bs3 h PRO 258 CO 0.54 0.84 -0.53 0.25 -0.23 0.00 0.00 178.00 178.87 2bs3 n THR 259 N -4.06 2.61 -2.05 1.56 -2.24 -1.26 -3.08 114.28 105.76 2bs3 n THR 259 Ca -0.01 -4.45 -0.33 0.00 -2.27 0.00 0.00 64.05 57.00 2bs3 n THR 259 Cb 0.48 -1.20 0.01 0.00 -2.10 0.00 0.00 70.33 67.51 2bs3 n THR 259 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2bs3 s PRO 260 N -3.62 3.35 0.25 -0.78 0.02 -1.25 -3.81 135.00 129.16 2bs3 s PRO 260 Ca 0.51 1.18 -0.30 0.00 0.02 0.00 0.00 61.00 62.41 2bs3 s PRO 260 Cb 0.41 -2.04 -0.10 0.00 0.02 0.00 0.00 34.50 32.80 2bs3 s PRO 260 CO -0.09 -0.79 1.38 -1.17 -0.33 0.00 0.00 177.00 175.99 2bs3 s LEU 261 N -4.50 4.40 -0.11 -5.54 2.96 0.15 -3.13 118.68 112.91 2bs3 s LEU 261 Ca 0.63 2.59 -0.04 0.00 -0.22 0.00 0.00 54.13 57.09 2bs3 s LEU 261 Cb -0.16 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 2bs3 s LEU 261 CO 0.37 -0.62 0.05 0.12 -1.32 0.00 0.00 176.35 174.95 2bs3 s PHE 262 N -0.17 3.29 -2.57 5.38 5.36 0.15 0.39 117.98 129.81 2bs3 s PHE 262 Ca 0.57 0.25 0.25 0.00 -0.96 0.00 0.00 56.93 57.03 2bs3 s PHE 262 Cb -0.40 -1.88 0.42 0.00 -0.34 0.00 0.00 43.02 40.82 2bs3 s PHE 262 CO 0.43 0.47 1.38 -0.35 -1.46 0.00 0.00 175.22 175.69 2bs3 n PRO 263 N 2.39 1.80 -0.26 10.12 -0.04 -1.26 -4.72 135.00 143.03 2bs3 n PRO 263 Ca -0.19 -1.37 0.07 0.00 -0.04 0.00 0.00 63.50 61.97 2bs3 n PRO 263 Cb 0.54 -1.47 0.31 0.00 -0.04 0.00 0.00 33.50 32.83 2bs3 n PRO 263 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bs3 h SER 264 N 3.34 0.78 0.00 3.54 4.64 -1.96 -3.46 113.55 120.42 2bs3 h SER 264 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2bs3 h SER 264 Cb 0.78 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2bs3 h SER 264 CO 0.00 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 2bs3 n GLY 265 N -1.42 0.72 3.71 -0.77 0.00 0.16 -4.83 105.19 102.76 2bs3 n GLY 265 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2bs3 n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bs3 s ILE 266 N -2.73 2.98 0.26 -0.61 1.01 -1.24 -4.19 121.20 116.67 2bs3 s ILE 266 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 2bs3 s ILE 266 Cb 0.00 -3.41 -0.09 0.00 0.01 0.00 0.00 42.46 38.97 2bs3 s ILE 266 CO 0.00 0.03 1.16 -0.22 0.00 0.00 0.00 174.94 175.92 2bs3 s LEU 267 N 1.56 4.50 -0.47 2.97 2.96 -1.26 0.35 118.68 129.29 2bs3 s LEU 267 Ca 0.69 2.32 -0.00 0.00 -0.22 0.00 0.00 54.13 56.92 2bs3 s LEU 267 Cb -0.40 -3.62 0.12 0.00 0.50 0.00 0.00 46.19 42.79 2bs3 s LEU 267 CO 0.31 -0.28 0.24 -0.76 -1.32 0.00 0.00 176.35 174.54 2bs3 s LEU 268 N -1.11 4.98 0.17 -0.68 1.43 -1.25 -4.85 118.68 117.37 2bs3 s LEU 268 Ca 0.48 -2.44 -0.10 0.00 -1.03 0.00 0.00 54.13 51.04 2bs3 s LEU 268 Cb -0.33 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 2bs3 s LEU 268 CO 0.41 -0.41 0.06 1.07 0.23 0.00 0.00 176.35 177.72 2bs3 n THR 269 N 3.98 0.37 0.13 5.49 5.66 -1.26 -4.80 114.28 123.85 2bs3 n THR 269 Ca 0.03 -0.23 0.15 0.00 -3.05 0.00 0.00 64.05 60.95 2bs3 n THR 269 Cb 0.39 0.00 0.69 0.00 -1.55 0.00 0.00 70.33 69.86 2bs3 n THR 269 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2bs3 h GLU 270 N 0.19 0.00 -0.06 1.09 4.81 -1.98 -2.24 114.58 116.39 2bs3 h GLU 270 Ca -0.16 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2bs3 h GLU 270 Cb 0.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2bs3 h GLU 270 CO 0.22 0.00 0.38 0.78 -0.73 0.00 0.00 179.01 179.66 2bs3 h GLY 271 N 0.00 0.00 0.98 1.92 0.00 -1.93 -2.04 103.07 102.00 2bs3 h GLY 271 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 2bs3 h GLY 271 CO -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 176.15 2bs3 h ARG 273 N -1.12 0.61 -0.10 0.00 3.08 -1.67 0.87 114.38 116.05 2bs3 h ARG 273 Ca -0.11 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.63 2bs3 h ARG 273 Cb 0.84 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 2bs3 h ARG 273 CO 0.18 0.87 -0.02 0.78 -1.07 0.00 0.00 179.97 180.72 2bs3 h GLY 274 N 1.02 0.15 1.50 0.04 0.00 -1.25 -2.10 103.07 102.43 2bs3 h GLY 274 Ca 0.05 -0.07 -0.26 0.00 0.00 0.00 0.00 47.33 47.06 2bs3 h GLY 274 CO 0.07 0.06 -1.35 -0.55 0.00 0.00 0.00 176.54 174.78 2bs3 h ASP 275 N 0.14 0.11 0.00 0.19 5.19 -0.39 -3.47 116.42 118.19 2bs3 h ASP 275 Ca 0.03 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2bs3 h ASP 275 Cb 0.13 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2bs3 h ASP 275 CO 0.00 1.13 0.00 0.61 -3.12 0.00 0.00 179.24 177.86 2bs3 n GLY 276 N 1.50 -0.41 3.72 2.75 0.00 -0.79 -5.03 105.19 106.93 2bs3 n GLY 276 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2bs3 n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs3 n GLY 277 N 0.00 0.80 3.40 -0.02 0.00 0.29 -4.84 105.19 104.82 2bs3 n GLY 277 Ca 0.00 0.33 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 2bs3 n GLY 277 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bs3 s ILE 278 N -1.01 3.04 -0.14 -0.61 -1.09 0.82 -4.55 121.20 117.66 2bs3 s ILE 278 Ca 0.56 -0.68 -0.18 0.00 -2.23 0.00 0.00 60.65 58.11 2bs3 s ILE 278 Cb -0.54 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 2bs3 s ILE 278 CO 0.62 0.54 0.49 -0.76 -1.23 0.00 0.00 174.94 174.60 2bs3 s LEU 279 N 0.02 4.23 0.15 2.97 1.43 -1.26 0.74 118.68 126.97 2bs3 s LEU 279 Ca -0.04 0.77 0.07 0.00 -1.03 0.00 0.00 54.13 53.90 2bs3 s LEU 279 Cb -0.14 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 2bs3 s LEU 279 CO 0.04 -0.06 -0.16 -0.13 0.23 0.00 0.00 176.35 176.27 2bs3 s ARG 280 N 0.95 1.17 0.00 1.70 0.52 -0.39 -3.50 118.95 119.40 2bs3 s ARG 280 Ca 0.25 -1.36 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 2bs3 s ARG 280 Cb -0.15 -1.13 0.00 0.00 0.52 0.00 0.00 34.95 34.19 2bs3 s ARG 280 CO 0.10 0.22 0.00 -0.40 0.02 0.00 0.00 175.30 175.24 2bs3 n ASP 281 N 0.33 0.02 0.21 0.23 5.68 -0.71 -1.18 116.55 121.14 2bs3 n ASP 281 Ca -0.14 -0.37 0.15 0.00 -0.50 0.00 0.00 54.79 53.93 2bs3 n ASP 281 Cb 0.57 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.34 2bs3 n ASP 281 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 2bs3 h VAL 282 N 0.00 0.65 -0.48 2.12 3.04 -1.64 -0.98 116.25 118.96 2bs3 h VAL 282 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2bs3 h VAL 282 Cb 0.00 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 2bs3 h VAL 282 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 2bs3 n ASP 283 N -4.07 3.32 0.00 3.17 8.00 -1.26 -4.91 116.55 120.81 2bs3 n ASP 283 Ca 0.00 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.54 2bs3 n ASP 283 Cb 0.25 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2bs3 n ASP 283 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs3 n GLY 284 N 1.49 0.65 3.70 0.44 0.00 -0.37 -5.00 105.19 106.10 2bs3 n GLY 284 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2bs3 n GLY 284 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bs3 s HIS 285 N -2.58 3.44 -0.68 1.61 5.04 -1.26 -4.67 115.29 116.19 2bs3 s HIS 285 Ca 0.00 1.40 -0.27 0.00 -1.54 0.00 0.00 55.06 54.65 2bs3 s HIS 285 Cb 0.00 -3.33 0.01 0.00 0.04 0.00 0.00 32.58 29.30 2bs3 s HIS 285 CO 0.00 -0.91 1.50 0.50 -2.34 0.00 0.00 174.74 173.49 2bs3 s ARG 286 N 1.37 2.99 0.16 2.88 3.52 -1.26 -1.74 118.95 126.87 2bs3 s ARG 286 Ca 0.56 0.10 0.20 0.00 -0.13 0.00 0.00 55.73 56.46 2bs3 s ARG 286 Cb -0.26 -4.25 -0.04 0.00 -1.56 0.00 0.00 34.95 28.84 2bs3 s ARG 286 CO 0.27 -2.35 0.99 0.27 -0.81 0.00 0.00 175.30 173.66 2bs3 h PHE 287 N 11.85 0.00 -0.83 5.12 -5.15 -1.94 -3.40 116.94 122.60 2bs3 h PHE 287 Ca -0.27 0.00 0.11 0.00 -0.20 0.00 0.00 57.97 57.61 2bs3 h PHE 287 Cb 1.09 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 37.18 2bs3 h PHE 287 CO 1.09 0.21 0.46 0.52 -2.00 0.00 0.00 178.31 178.60 2bs3 h MET 288 N 0.00 0.72 -0.17 6.09 2.86 -1.89 -0.39 114.93 122.15 2bs3 h MET 288 Ca -0.06 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2bs3 h MET 288 Cb 1.22 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 2bs3 h MET 288 CO 0.02 0.48 0.15 -1.35 1.06 0.00 0.00 176.91 177.27 2bs3 h PRO 289 N 0.75 0.00 -0.27 -0.22 0.11 -1.77 0.34 132.00 130.94 2bs3 h PRO 289 Ca 0.42 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.43 2bs3 h PRO 289 Cb 0.44 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 2bs3 h PRO 289 CO -0.28 0.00 -0.25 -0.44 -0.21 0.00 0.00 178.00 176.82 2bs3 h ASP 290 N 0.00 0.52 0.21 -2.05 3.32 -1.32 -2.56 116.42 114.54 2bs3 h ASP 290 Ca 0.08 -0.18 -0.34 0.00 0.02 0.00 0.00 57.03 56.61 2bs3 h ASP 290 Cb 0.38 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 2bs3 h ASP 290 CO -0.00 0.76 -2.10 -1.22 -1.72 0.00 0.00 179.24 174.97 2bs3 n TYR 291 N -4.12 0.49 -3.57 4.55 4.02 -0.43 -4.67 117.16 113.43 2bs3 n TYR 291 Ca -0.00 0.16 -0.27 0.00 -0.01 0.00 0.00 57.90 57.78 2bs3 n TYR 291 Cb 0.41 -1.09 -0.10 0.00 -0.02 0.00 0.00 39.34 38.54 2bs3 n TYR 291 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2bs3 n GLU 292 N -2.96 1.25 -0.30 -0.72 -0.58 0.11 -4.97 120.64 112.47 2bs3 n GLU 292 Ca -0.27 -3.92 0.11 0.00 -0.42 0.00 0.00 57.16 52.65 2bs3 n GLU 292 Cb 1.10 -1.94 0.27 0.00 -0.57 0.00 0.00 31.44 30.29 2bs3 n GLU 292 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2bs3 h PRO 293 N 5.11 0.45 0.00 3.49 0.11 -1.67 0.32 132.00 139.81 2bs3 h PRO 293 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2bs3 h PRO 293 Cb 0.81 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2bs3 h PRO 293 CO 0.59 0.30 0.00 -1.91 -0.21 0.00 0.00 178.00 176.77 2bs3 n GLU 294 N -4.99 0.00 -0.18 1.05 2.13 -1.26 -4.50 120.64 112.89 2bs3 n GLU 294 Ca 0.20 0.44 -0.09 0.00 0.66 0.00 0.00 57.16 58.36 2bs3 n GLU 294 Cb 0.57 -0.99 0.01 0.00 0.27 0.00 0.00 31.44 31.30 2bs3 n GLU 294 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2bs3 h LYS 295 N 0.00 0.87 0.00 5.31 1.63 -1.94 -3.48 116.57 118.97 2bs3 h LYS 295 Ca 0.00 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2bs3 h LYS 295 Cb 0.00 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 2bs3 h LYS 295 CO 0.00 0.87 0.00 1.63 -3.45 0.00 0.00 179.45 178.50 2bs3 n LYS 296 N -4.37 0.00 -0.17 1.90 5.02 0.11 -1.98 118.16 118.68 2bs3 n LYS 296 Ca 0.01 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.52 2bs3 n LYS 296 Cb 0.28 0.00 0.60 0.00 -0.02 0.00 0.00 35.03 35.89 2bs3 n LYS 296 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2bs3 h GLU 297 N 0.00 0.21 -0.77 1.97 4.39 -1.87 -1.86 114.58 116.65 2bs3 h GLU 297 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2bs3 h GLU 297 Cb 0.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2bs3 h GLU 297 CO 0.00 0.14 0.00 1.28 -1.16 0.00 0.00 179.01 179.27 2bs3 n LEU 298 N -4.41 2.83 -4.67 1.33 4.77 -0.84 -4.93 117.00 111.09 2bs3 n LEU 298 Ca 0.17 -1.43 -0.29 0.00 -0.03 0.00 0.00 56.01 54.42 2bs3 n LEU 298 Cb 0.73 -0.54 0.19 0.00 -2.33 0.00 0.00 43.42 41.47 2bs3 n LEU 298 CO 0.34 0.41 0.64 0.00 -1.33 0.00 0.00 177.39 177.45 2bs3 s ALA 299 N -1.72 0.89 0.34 -1.18 0.00 -0.70 -4.93 121.76 114.46 2bs3 s ALA 299 Ca 0.23 -0.52 -0.28 0.00 0.00 0.00 0.00 51.96 51.38 2bs3 s ALA 299 Cb 0.17 -3.06 -0.12 0.00 0.00 0.00 0.00 23.12 20.11 2bs3 s ALA 299 CO 0.07 -3.00 1.36 0.45 0.00 0.00 0.00 175.76 174.65 2bs3 n SER 300 N -4.29 3.05 -0.27 0.00 2.88 -1.26 -4.73 113.62 108.99 2bs3 n SER 300 Ca 0.07 1.20 0.19 0.00 -1.33 0.00 0.00 58.87 59.00 2bs3 n SER 300 Cb 0.58 -1.51 0.48 0.00 -0.75 0.00 0.00 64.21 63.01 2bs3 n SER 300 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2bs3 h ARG 301 N 2.92 0.45 -0.58 -1.46 3.08 -1.96 0.26 114.38 117.09 2bs3 h ARG 301 Ca -0.47 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.56 2bs3 h ARG 301 Cb 1.27 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 2bs3 h ARG 301 CO 0.65 0.30 0.37 0.22 -1.07 0.00 0.00 179.97 180.44 2bs3 h ASP 302 N 0.46 0.64 -0.28 7.04 3.58 -1.92 -2.31 116.42 123.63 2bs3 h ASP 302 Ca 0.50 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.80 2bs3 h ASP 302 Cb 1.16 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.06 2bs3 h ASP 302 CO -0.21 0.46 -0.37 0.58 -2.88 0.00 0.00 179.24 176.81 2bs3 h VAL 303 N 0.76 1.30 -0.54 2.25 2.07 -0.88 -3.11 116.25 118.10 2bs3 h VAL 303 Ca 0.22 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.23 2bs3 h VAL 303 Cb -0.06 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 2bs3 h VAL 303 CO -0.06 0.50 0.27 0.58 0.02 0.00 0.00 177.57 178.88 2bs3 h VAL 304 N 0.48 0.94 -0.52 2.57 2.07 -0.99 -0.73 116.25 120.08 2bs3 h VAL 304 Ca 0.03 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.41 2bs3 h VAL 304 Cb 0.96 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2bs3 h VAL 304 CO 0.09 0.09 0.29 0.28 0.02 0.00 0.00 177.57 178.34 2bs3 h SER 305 N 0.52 0.44 -0.20 0.57 0.02 -1.44 -0.38 113.55 113.08 2bs3 h SER 305 Ca 0.24 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2bs3 h SER 305 Cb 0.16 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2bs3 h SER 305 CO -0.17 0.31 0.08 0.03 -1.14 0.00 0.00 176.83 175.94 2bs3 h ARG 306 N 0.56 0.29 -0.93 3.45 3.08 -1.35 -2.37 114.38 117.11 2bs3 h ARG 306 Ca 0.22 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.24 2bs3 h ARG 306 Cb 0.08 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 2bs3 h ARG 306 CO -0.13 0.35 0.61 0.00 -1.07 0.00 0.00 179.97 179.74 2bs3 h ARG 307 N 0.17 1.19 -0.61 0.04 2.47 -0.85 -0.06 114.38 116.73 2bs3 h ARG 307 Ca 0.07 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2bs3 h ARG 307 Cb 0.17 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 28.18 2bs3 h ARG 307 CO -0.01 0.79 0.39 0.52 0.56 0.00 0.00 179.97 182.22 2bs3 h MET 308 N 1.23 0.76 -0.44 0.04 2.86 -0.85 0.15 114.93 118.67 2bs3 h MET 308 Ca 0.35 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.81 2bs3 h MET 308 Cb -0.09 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 2bs3 h MET 308 CO -0.09 0.50 -0.28 0.82 1.06 0.00 0.00 176.91 178.92 2bs3 h ILE 309 N 0.78 1.27 -0.31 -1.22 1.08 -0.90 -2.08 117.51 116.13 2bs3 h ILE 309 Ca 0.23 -1.45 0.00 0.00 -0.39 0.00 0.00 64.86 63.26 2bs3 h ILE 309 Cb -0.04 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 2bs3 h ILE 309 CO -0.07 0.49 0.20 -0.33 -0.69 0.00 0.00 178.15 177.75 2bs3 h GLU 310 N 0.81 0.40 -0.76 2.37 5.08 -0.53 -0.30 114.58 121.64 2bs3 h GLU 310 Ca 0.09 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2bs3 h GLU 310 Cb 0.87 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 2bs3 h GLU 310 CO 0.08 0.27 0.46 1.25 -1.00 0.00 0.00 179.01 180.06 2bs3 h HIS 311 N 0.41 0.99 -0.44 4.33 2.76 -0.61 -1.57 115.15 121.02 2bs3 h HIS 311 Ca 0.11 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.16 2bs3 h HIS 311 Cb -0.04 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.58 2bs3 h HIS 311 CO -0.06 0.66 -0.20 0.82 -1.30 0.00 0.00 177.93 177.85 2bs3 h ILE 312 N 1.04 1.27 0.00 6.26 2.04 -0.91 -2.66 117.51 124.56 2bs3 h ILE 312 Ca 0.27 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2bs3 h ILE 312 Cb -0.04 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2bs3 h ILE 312 CO -0.05 0.46 0.00 0.03 0.00 0.00 0.00 178.15 178.59 2bs3 h ARG 313 N 0.75 0.00 -0.06 2.37 3.08 -0.40 -0.25 114.38 119.86 2bs3 h ARG 313 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2bs3 h ARG 313 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2bs3 h ARG 313 CO 0.06 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.59 2bs3 n LYS 314 N -3.01 1.26 -0.81 0.04 5.02 -0.65 -4.88 118.16 115.13 2bs3 n LYS 314 Ca -0.00 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 2bs3 n LYS 314 Cb 0.24 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2bs3 n LYS 314 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bs3 n GLY 315 N 0.89 0.51 1.29 0.72 0.00 -0.11 -4.96 105.19 103.53 2bs3 n GLY 315 Ca 0.14 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.46 2bs3 n GLY 315 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bs3 n LYS 316 N -2.81 3.32 -2.03 1.61 3.00 -1.03 -4.99 118.16 115.23 2bs3 n LYS 316 Ca 0.00 -2.69 -0.30 0.00 -0.00 0.00 0.00 58.31 55.32 2bs3 n LYS 316 Cb 0.00 -1.71 0.03 0.00 0.00 0.00 0.00 35.03 33.34 2bs3 n LYS 316 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2bs3 s GLY 317 N -1.06 1.62 -0.13 3.14 0.00 -1.26 -1.89 107.32 107.74 2bs3 s GLY 317 Ca 0.45 -0.31 -0.19 0.00 0.00 0.00 0.00 44.72 44.67 2bs3 s GLY 317 CO 0.23 -0.01 0.51 0.14 0.00 0.00 0.00 173.10 173.97 2bs3 s VAL 318 N -3.18 5.15 0.23 1.40 1.01 0.12 -4.63 120.40 120.51 2bs3 s VAL 318 Ca 0.55 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 2bs3 s VAL 318 Cb -0.11 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 2bs3 s VAL 318 CO 0.51 0.28 1.08 -1.10 0.00 0.00 0.00 175.10 175.87 2bs3 s GLN 319 N 0.89 4.65 0.03 2.72 -1.52 -1.26 -1.73 119.66 123.43 2bs3 s GLN 319 Ca 0.27 1.74 -0.13 0.00 -1.95 0.00 0.00 55.36 55.28 2bs3 s GLN 319 Cb -0.15 -3.23 0.02 0.00 -0.22 0.00 0.00 33.01 29.42 2bs3 s GLN 319 CO 0.11 0.19 0.29 0.45 -0.25 0.00 0.00 175.29 176.08 2bs3 s SER 320 N -0.60 -0.12 0.00 5.90 0.15 -0.93 -4.96 113.70 113.14 2bs3 s SER 320 Ca 0.46 -0.13 0.08 0.00 0.70 0.00 0.00 55.95 57.06 2bs3 s SER 320 Cb -0.30 0.33 0.33 0.00 -1.71 0.00 0.00 66.02 64.67 2bs3 s SER 320 CO 0.38 -0.55 1.24 -0.81 1.20 0.00 0.00 173.24 174.70 2bs3 n PRO 321 N 0.81 0.00 0.00 5.44 -0.04 -1.26 -1.19 135.00 138.76 2bs3 n PRO 321 Ca -0.20 0.36 0.07 0.00 -0.04 0.00 0.00 63.50 63.70 2bs3 n PRO 321 Cb 0.58 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2bs3 n PRO 321 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bs3 n TYR 322 N -1.50 0.00 0.00 0.54 4.01 -1.26 -5.09 117.16 113.86 2bs3 n TYR 322 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2bs3 n TYR 322 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2bs3 n TYR 322 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bs3 n GLY 323 N 0.96 0.74 3.84 2.72 0.00 -0.33 -5.07 105.19 108.05 2bs3 n GLY 323 Ca 0.07 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 2bs3 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bs3 s GLN 324 N -0.89 4.02 0.29 1.61 -0.21 -1.26 -2.20 119.66 121.03 2bs3 s GLN 324 Ca 0.00 0.56 -0.01 0.00 0.02 0.00 0.00 55.36 55.93 2bs3 s GLN 324 Cb 0.00 -2.90 0.00 0.00 1.00 0.00 0.00 33.01 31.11 2bs3 s GLN 324 CO 0.00 0.45 0.39 -2.39 -2.12 0.00 0.00 175.29 171.62 2bs3 n HIS 325 N 0.74 -1.21 -4.34 0.91 1.44 -0.70 -4.91 115.22 107.15 2bs3 n HIS 325 Ca -0.04 -2.03 -0.16 0.00 -2.01 0.00 0.00 57.72 53.48 2bs3 n HIS 325 Cb 0.52 0.44 -0.04 0.00 0.12 0.00 0.00 29.99 31.03 2bs3 n HIS 325 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2bs3 n LEU 326 N 0.00 0.00 -4.43 2.39 4.77 -0.15 0.13 117.00 119.72 2bs3 n LEU 326 Ca 0.01 -1.76 -0.30 0.00 -0.03 0.00 0.00 56.01 53.93 2bs3 n LEU 326 Cb 0.50 0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 41.89 2bs3 n LEU 326 CO 0.25 -0.26 -0.53 0.26 -1.33 0.00 0.00 177.39 175.77 2bs3 s TRP 327 N -2.26 2.43 -0.22 -1.77 0.52 -0.32 -1.20 118.94 116.11 2bs3 s TRP 327 Ca 0.07 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 55.88 2bs3 s TRP 327 Cb 0.00 -1.33 0.04 0.00 -1.15 0.00 0.00 33.47 31.03 2bs3 s TRP 327 CO 0.05 0.32 -0.15 -1.17 0.02 0.00 0.00 176.95 176.02 2bs3 s LEU 328 N -1.91 2.80 -0.33 2.99 2.96 0.60 -1.26 118.68 124.54 2bs3 s LEU 328 Ca 0.15 -1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 52.95 2bs3 s LEU 328 Cb -0.10 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.07 2bs3 s LEU 328 CO 0.07 -0.10 0.16 -0.62 -1.32 0.00 0.00 176.35 174.55 2bs3 s ASP 329 N 1.20 5.56 0.00 3.68 2.15 0.23 -1.42 116.67 128.07 2bs3 s ASP 329 Ca -0.02 -0.73 0.04 0.00 0.43 0.00 0.00 52.55 52.27 2bs3 s ASP 329 Cb -0.16 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 2bs3 s ASP 329 CO -0.09 -0.27 0.45 2.30 -0.17 0.00 0.00 175.17 177.39 2bs3 n ILE 330 N 4.97 0.00 -0.26 4.11 -5.35 -1.26 -0.13 119.36 121.44 2bs3 n ILE 330 Ca -0.13 -0.46 0.02 0.00 -0.27 0.00 0.00 62.75 61.91 2bs3 n ILE 330 Cb 0.48 1.06 0.24 0.00 -1.74 0.00 0.00 39.64 39.67 2bs3 n ILE 330 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2bs3 h SER 331 N 0.53 0.89 0.00 7.28 4.64 -1.83 -1.61 113.55 123.45 2bs3 h SER 331 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2bs3 h SER 331 Cb 0.15 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2bs3 h SER 331 CO 0.00 0.61 0.30 0.16 -0.87 0.00 0.00 176.83 177.03 2bs3 h ILE 332 N 1.03 0.00 -0.00 0.95 -0.00 -1.89 0.30 117.51 117.91 2bs3 h ILE 332 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.19 2bs3 h ILE 332 Cb 0.02 0.41 0.00 0.00 -0.00 0.00 0.00 36.82 37.25 2bs3 h ILE 332 CO -0.09 0.00 -0.06 0.18 -0.00 0.00 0.00 178.15 178.17 2bs3 n LEU 333 N -2.32 0.11 0.00 0.16 4.77 -0.60 -5.01 117.00 114.10 2bs3 n LEU 333 Ca -0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2bs3 n LEU 333 Cb 0.33 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2bs3 n LEU 333 CO 0.08 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2bs3 n GLY 334 N 1.41 -1.02 0.37 -0.72 0.00 0.11 -4.28 105.19 101.06 2bs3 n GLY 334 Ca 0.10 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 45.05 2bs3 n GLY 334 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2bs3 h ARG 335 N 0.00 0.66 0.34 1.61 2.43 -1.86 -2.05 114.38 115.51 2bs3 h ARG 335 Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2bs3 h ARG 335 Cb 0.00 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2bs3 h ARG 335 CO 0.00 0.43 -0.19 0.87 -1.51 0.00 0.00 179.97 179.58 2bs3 h LYS 336 N 0.68 -0.47 -0.44 0.20 1.57 -1.97 -1.80 116.57 114.33 2bs3 h LYS 336 Ca 0.51 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.37 2bs3 h LYS 336 Cb 0.90 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 2bs3 h LYS 336 CO -0.27 -0.32 0.21 1.25 -0.57 0.00 0.00 179.45 179.75 2bs3 h HIS 337 N -0.49 0.38 -0.37 -1.35 2.76 -1.58 -2.72 115.15 111.78 2bs3 h HIS 337 Ca -0.04 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2bs3 h HIS 337 Cb 0.39 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 2bs3 h HIS 337 CO -0.07 0.18 0.22 0.82 -1.30 0.00 0.00 177.93 177.79 2bs3 h ILE 338 N 0.41 1.05 0.00 6.26 2.04 -1.28 0.10 117.51 126.09 2bs3 h ILE 338 Ca 0.19 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2bs3 h ILE 338 Cb 0.12 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2bs3 h ILE 338 CO -0.15 0.08 0.00 -0.62 0.00 0.00 0.00 178.15 177.47 2bs3 n GLU 339 N -4.87 0.56 -0.01 2.37 1.02 -0.69 -0.75 120.64 118.27 2bs3 n GLU 339 Ca 0.00 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.16 2bs3 n GLU 339 Cb 0.05 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 2bs3 n GLU 339 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2bs3 n THR 340 N -1.18 0.19 0.02 2.62 -2.24 -1.01 -4.46 114.28 108.21 2bs3 n THR 340 Ca 0.16 -0.14 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 2bs3 n THR 340 Cb 0.17 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 67.81 2bs3 n THR 340 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2bs3 n ASN 341 N -2.01 3.28 -2.24 3.42 3.02 0.32 -4.73 115.26 116.30 2bs3 n ASN 341 Ca -0.05 -0.16 -0.05 0.00 -0.03 0.00 0.00 54.58 54.29 2bs3 n ASN 341 Cb 0.49 1.04 0.05 0.00 -0.61 0.00 0.00 39.78 40.76 2bs3 n ASN 341 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2bs3 n LEU 342 N -1.39 2.41 0.22 3.41 4.32 0.07 -4.85 117.00 121.19 2bs3 n LEU 342 Ca -0.00 -3.36 0.10 0.00 -0.02 0.00 0.00 56.01 52.73 2bs3 n LEU 342 Cb 0.03 0.12 0.67 0.00 -1.62 0.00 0.00 43.42 42.62 2bs3 n LEU 342 CO 0.03 1.24 1.09 -0.09 -1.22 0.00 0.00 177.39 178.44 2bs3 h ARG 343 N 2.12 0.00 -0.01 3.23 2.43 -1.35 -2.26 114.38 118.53 2bs3 h ARG 343 Ca -0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2bs3 h ARG 343 Cb 1.42 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2bs3 h ARG 343 CO 0.30 0.00 -0.01 0.22 -1.51 0.00 0.00 179.97 178.97 2bs3 h ASP 344 N 0.00 0.03 -0.27 -3.80 3.58 -1.89 -2.77 116.42 111.30 2bs3 h ASP 344 Ca 0.04 -0.46 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 2bs3 h ASP 344 Cb 0.16 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2bs3 h ASP 344 CO -0.00 0.48 0.09 1.62 -2.88 0.00 0.00 179.24 178.56 2bs3 h VAL 345 N -0.43 1.16 -0.69 2.25 3.04 -1.84 -2.21 116.25 117.53 2bs3 h VAL 345 Ca 0.00 -0.54 -0.03 0.00 -1.01 0.00 0.00 66.70 65.12 2bs3 h VAL 345 Cb 0.48 0.80 -0.03 0.00 -2.01 0.00 0.00 31.29 30.52 2bs3 h VAL 345 CO 0.00 0.20 0.30 -0.61 -1.01 0.00 0.00 177.57 176.45 2bs3 h GLN 346 N 0.49 1.02 -0.28 4.17 4.15 -1.39 -2.47 115.11 120.80 2bs3 h GLN 346 Ca 0.12 -0.17 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 2bs3 h GLN 346 Cb 0.17 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2bs3 h GLN 346 CO -0.01 0.83 -0.23 0.93 -1.93 0.00 0.00 178.83 178.43 2bs3 h GLU 347 N 0.98 0.52 0.40 1.69 5.08 -1.12 -2.77 114.58 119.36 2bs3 h GLU 347 Ca 0.23 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2bs3 h GLU 347 Cb 0.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2bs3 h GLU 347 CO -0.02 0.71 -0.19 0.82 -1.00 0.00 0.00 179.01 179.33 2bs3 h ILE 348 N 0.46 0.61 -0.04 3.13 1.08 -1.08 0.24 117.51 121.90 2bs3 h ILE 348 Ca 0.07 -0.21 0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2bs3 h ILE 348 Cb 0.65 0.72 -0.00 0.00 -3.07 0.00 0.00 36.82 35.12 2bs3 h ILE 348 CO 0.05 0.04 0.04 0.00 -0.69 0.00 0.00 178.15 177.59 2bs3 h GLU 350 N 0.00 0.00 0.00 0.00 5.08 -1.24 1.18 114.58 119.60 2bs3 h GLU 350 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2bs3 h GLU 350 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2bs3 h GLU 350 CO -0.00 0.76 -0.09 1.88 -1.00 0.00 0.00 179.01 180.56 2bs3 h TYR 351 N -1.00 0.00 0.00 4.33 0.05 -0.38 -2.47 116.97 117.50 2bs3 h TYR 351 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2bs3 h TYR 351 Cb 0.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.66 2bs3 h TYR 351 CO 0.13 0.09 -0.86 1.19 -1.05 0.00 0.00 178.16 177.65 2bs3 n PHE 352 N -3.80 -0.01 0.42 4.88 3.01 -0.28 -4.75 117.46 116.94 2bs3 n PHE 352 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.57 2bs3 n PHE 352 Cb 0.19 0.06 0.37 0.00 -0.01 0.00 0.00 39.48 40.08 2bs3 n PHE 352 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2bs3 h ALA 353 N 0.00 1.00 -5.27 4.37 0.00 -1.35 -3.47 119.26 114.54 2bs3 h ALA 353 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 2bs3 h ALA 353 Cb 0.86 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.78 2bs3 h ALA 353 CO 0.00 0.00 -0.60 0.41 0.00 0.00 0.00 179.25 179.06 2bs3 n GLY 354 N 0.94 -0.36 3.09 0.00 0.00 0.37 -4.91 105.19 104.32 2bs3 n GLY 354 Ca 0.04 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2bs3 n GLY 354 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bs3 s ILE 355 N -3.28 0.09 -0.48 -0.61 -4.36 0.84 -4.92 121.20 108.48 2bs3 s ILE 355 Ca 0.48 -0.72 -0.20 0.00 -0.26 0.00 0.00 60.65 59.95 2bs3 s ILE 355 Cb -0.21 -0.42 0.04 0.00 1.25 0.00 0.00 42.46 43.11 2bs3 s ILE 355 CO 0.64 -0.40 0.67 -0.62 0.24 0.00 0.00 174.94 175.48 2bs3 s ASP 356 N -1.41 6.28 0.54 4.36 2.15 -1.26 -2.80 116.67 124.53 2bs3 s ASP 356 Ca -0.15 -0.57 0.30 0.00 0.43 0.00 0.00 52.55 52.56 2bs3 s ASP 356 Cb -0.08 -2.32 1.46 0.00 -0.30 0.00 0.00 42.92 41.68 2bs3 s ASP 356 CO 0.01 -0.88 1.92 1.55 -0.17 0.00 0.00 175.17 177.60 2bs3 h PRO 357 N 8.98 0.00 0.00 4.34 0.13 -1.84 0.38 132.00 143.98 2bs3 h PRO 357 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2bs3 h PRO 357 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2bs3 h PRO 357 CO 0.94 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 2bs3 n ALA 358 N -2.65 2.19 0.03 -0.56 0.00 -1.26 -2.94 120.51 115.33 2bs3 n ALA 358 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2bs3 n ALA 358 Cb 0.83 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2bs3 n ALA 358 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2bs3 n GLU 359 N -1.01 0.00 -4.07 0.00 1.02 0.11 -4.76 120.64 111.92 2bs3 n GLU 359 Ca 0.14 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.02 2bs3 n GLU 359 Cb 0.07 -0.15 -0.05 0.00 -0.02 0.00 0.00 31.44 31.29 2bs3 n GLU 359 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2bs3 s LYS 360 N -2.00 2.97 0.32 3.49 1.02 0.29 -4.94 119.74 120.89 2bs3 s LYS 360 Ca 0.00 -0.85 -0.20 0.00 0.02 0.00 0.00 55.97 54.94 2bs3 s LYS 360 Cb 0.00 -2.68 -0.09 0.00 -0.52 0.00 0.00 37.83 34.54 2bs3 s LYS 360 CO 0.00 0.48 0.83 -1.58 -0.92 0.00 0.00 175.35 174.16 2bs3 s TRP 361 N -1.77 3.50 -0.12 3.18 0.51 -1.26 -4.23 118.94 118.74 2bs3 s TRP 361 Ca 0.31 1.47 -0.12 0.00 -2.12 0.00 0.00 56.10 55.64 2bs3 s TRP 361 Cb -0.10 -2.71 -0.05 0.00 -0.81 0.00 0.00 33.47 29.80 2bs3 s TRP 361 CO 0.24 0.13 0.28 0.00 -0.51 0.00 0.00 176.95 177.09 2bs3 s ALA 362 N -1.83 3.68 0.09 0.98 0.00 -0.51 -4.86 121.76 119.31 2bs3 s ALA 362 Ca 0.52 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 2bs3 s ALA 362 Cb -0.13 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 2bs3 s ALA 362 CO 0.19 0.28 1.16 -1.25 0.00 0.00 0.00 175.76 176.14 2bs3 s PRO 363 N -0.16 4.48 0.08 0.00 0.04 -1.26 -0.29 135.00 137.90 2bs3 s PRO 363 Ca 0.17 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2bs3 s PRO 363 Cb -0.13 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 2bs3 s PRO 363 CO 0.05 -0.15 -0.03 0.14 0.04 0.00 0.00 177.00 177.05 2bs3 s VAL 364 N 0.68 0.39 -0.28 -0.36 -7.23 -0.35 -0.68 120.40 112.58 2bs3 s VAL 364 Ca 0.56 -1.87 -0.24 0.00 -1.81 0.00 0.00 61.98 58.61 2bs3 s VAL 364 Cb -0.29 -1.67 0.10 0.00 0.56 0.00 0.00 36.38 35.08 2bs3 s VAL 364 CO 0.31 -0.86 0.90 -0.22 -0.31 0.00 0.00 175.10 174.92 2bs3 s LEU 365 N -2.99 -0.58 0.33 1.32 2.96 -1.19 -0.97 118.68 117.56 2bs3 s LEU 365 Ca 0.12 1.10 -0.29 0.00 -0.22 0.00 0.00 54.13 54.84 2bs3 s LEU 365 Cb 0.07 2.11 -0.11 0.00 0.50 0.00 0.00 46.19 48.76 2bs3 s LEU 365 CO -0.06 -0.19 1.50 -2.84 -1.32 0.00 0.00 176.35 173.44 2bs3 s PRO 366 N 0.37 4.15 0.05 0.98 0.02 -1.18 -3.82 135.00 135.58 2bs3 s PRO 366 Ca 0.01 2.52 -0.02 0.00 0.02 0.00 0.00 61.00 63.53 2bs3 s PRO 366 Cb -0.05 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 2bs3 s PRO 366 CO -0.04 -0.53 -0.00 -1.64 -0.33 0.00 0.00 177.00 174.46 2bs3 s MET 367 N -1.34 0.61 0.33 5.54 -1.94 -0.29 -4.92 119.30 117.28 2bs3 s MET 367 Ca 0.57 -1.13 -0.28 0.00 -1.71 0.00 0.00 55.69 53.13 2bs3 s MET 367 Cb -0.46 0.22 -0.12 0.00 2.01 0.00 0.00 34.83 36.47 2bs3 s MET 367 CO 0.55 -0.12 1.31 0.94 -0.01 0.00 0.00 175.02 177.69 2bs3 n GLN 368 N 0.22 2.14 0.00 2.03 0.00 -1.08 -0.17 117.38 120.52 2bs3 n GLN 368 Ca -0.15 0.75 0.00 0.00 -0.00 0.00 0.00 57.00 57.60 2bs3 n GLN 368 Cb 0.61 -2.35 0.00 0.00 0.00 0.00 0.00 30.24 28.50 2bs3 n GLN 368 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2bs3 n HIS 369 N 0.58 0.00 -4.19 3.69 -0.00 0.86 -1.33 115.22 114.83 2bs3 n HIS 369 Ca 0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.61 2bs3 n HIS 369 Cb 0.35 0.24 -0.13 0.00 -0.00 0.00 0.00 29.99 30.46 2bs3 n HIS 369 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2bs3 s TYR 370 N -1.73 0.90 -0.53 1.57 5.04 -0.85 -4.74 117.35 117.01 2bs3 s TYR 370 Ca 0.00 -0.38 -0.07 0.00 -2.44 0.00 0.00 57.07 54.17 2bs3 s TYR 370 Cb 0.00 -0.53 0.14 0.00 0.35 0.00 0.00 41.96 41.91 2bs3 s TYR 370 CO 0.00 -0.01 0.38 -1.12 -1.34 0.00 0.00 175.55 173.46 2bs3 s SER 371 N -1.23 5.65 0.24 4.32 0.01 -1.26 -0.96 113.70 120.46 2bs3 s SER 371 Ca -0.03 -2.20 -0.03 0.00 1.31 0.00 0.00 55.95 55.00 2bs3 s SER 371 Cb -0.08 -1.97 0.28 0.00 0.21 0.00 0.00 66.02 64.46 2bs3 s SER 371 CO 0.01 -0.59 1.72 0.24 0.41 0.00 0.00 173.24 175.02 2bs3 h MET 372 N 8.04 0.81 -7.28 12.44 2.86 -1.79 -3.44 114.93 126.57 2bs3 h MET 372 Ca -0.13 -0.24 -0.47 0.00 -2.06 0.00 0.00 59.70 56.80 2bs3 h MET 372 Cb 1.04 -0.08 0.17 0.00 0.06 0.00 0.00 31.60 32.79 2bs3 h MET 372 CO 0.80 0.85 0.17 0.20 1.06 0.00 0.00 176.91 179.98 2bs3 s GLY 373 N -3.74 1.60 0.00 8.32 0.00 -1.16 -4.60 107.32 107.74 2bs3 s GLY 373 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.56 2bs3 s GLY 373 CO 0.82 0.51 0.00 0.61 0.00 0.00 0.00 173.10 175.04 2bs3 n GLY 374 N -0.43 -0.92 3.69 0.20 0.00 -0.80 -4.63 105.19 102.29 2bs3 n GLY 374 Ca 0.06 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 2bs3 n GLY 374 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bs3 s ILE 375 N -3.00 3.48 0.09 -0.61 1.01 0.68 0.58 121.20 123.43 2bs3 s ILE 375 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.21 2bs3 s ILE 375 Cb 0.00 -3.56 -0.06 0.00 0.01 0.00 0.00 42.46 38.85 2bs3 s ILE 375 CO 0.00 -0.01 1.19 -0.60 0.00 0.00 0.00 174.94 175.52 2bs3 s ARG 376 N 2.61 4.45 0.24 2.79 6.06 0.08 0.01 118.95 135.20 2bs3 s ARG 376 Ca 0.68 1.78 0.01 0.00 -2.50 0.00 0.00 55.73 55.70 2bs3 s ARG 376 Cb -0.34 -3.32 -0.05 0.00 0.06 0.00 0.00 34.95 31.29 2bs3 s ARG 376 CO 0.28 -0.20 0.08 0.95 -2.50 0.00 0.00 175.30 173.91 2bs3 s THR 377 N 0.78 0.57 0.18 4.11 -4.23 -1.21 -4.26 115.64 111.58 2bs3 s THR 377 Ca 0.57 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 2bs3 s THR 377 Cb -0.30 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.03 2bs3 s THR 377 CO 0.31 -0.08 0.25 -0.90 -0.54 0.00 0.00 174.62 173.65 2bs3 n ASP 378 N -0.42 0.17 0.28 3.99 5.68 -0.25 -4.78 116.55 121.23 2bs3 n ASP 378 Ca -0.01 -1.18 0.19 0.00 -0.50 0.00 0.00 54.79 53.28 2bs3 n ASP 378 Cb 0.66 -0.17 0.90 0.00 -1.14 0.00 0.00 41.12 41.37 2bs3 n ASP 378 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2bs3 h TYR 379 N -0.75 0.00 0.00 2.11 -0.00 -1.90 -1.65 116.97 114.78 2bs3 h TYR 379 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.65 2bs3 h TYR 379 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.99 2bs3 h TYR 379 CO 0.00 0.00 -0.31 0.54 -0.00 0.00 0.00 178.16 178.39 2bs3 n ARG 380 N -2.93 0.18 -0.15 0.10 1.74 -1.26 -4.93 116.66 109.40 2bs3 n ARG 380 Ca -0.01 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2bs3 n ARG 380 Cb 0.17 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 2bs3 n ARG 380 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bs3 n GLY 381 N 1.39 0.78 3.81 -0.13 0.00 -0.62 -4.53 105.19 105.88 2bs3 n GLY 381 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2bs3 n GLY 381 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bs3 s GLU 382 N -0.85 4.05 0.90 1.61 2.12 -1.26 -0.85 118.70 124.41 2bs3 s GLU 382 Ca 0.00 0.45 -0.10 0.00 0.36 0.00 0.00 54.97 55.68 2bs3 s GLU 382 Cb 0.00 -3.27 0.19 0.00 0.26 0.00 0.00 34.13 31.31 2bs3 s GLU 382 CO 0.00 0.57 1.22 0.00 -0.54 0.00 0.00 175.26 176.51 2bs3 s ALA 383 N -0.71 2.78 0.40 6.30 0.00 0.48 -1.09 121.76 129.91 2bs3 s ALA 383 Ca 0.25 -1.53 0.18 0.00 0.00 0.00 0.00 51.96 50.86 2bs3 s ALA 383 Cb -0.17 -2.42 1.05 0.00 0.00 0.00 0.00 23.12 21.58 2bs3 s ALA 383 CO 0.13 -2.19 1.96 -0.22 0.00 0.00 0.00 175.76 175.44 2bs3 h LYS 384 N -1.31 0.00 -6.33 0.00 3.64 -1.87 -3.37 116.57 107.33 2bs3 h LYS 384 Ca -0.40 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.40 2bs3 h LYS 384 Cb 1.23 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 2bs3 h LYS 384 CO 0.34 0.22 0.75 -1.17 -2.27 0.00 0.00 179.45 177.32 2bs3 s LEU 385 N -7.99 3.87 0.26 5.20 2.96 -1.26 -4.92 118.68 116.79 2bs3 s LEU 385 Ca -0.03 0.56 -0.31 0.00 -0.22 0.00 0.00 54.13 54.13 2bs3 s LEU 385 Cb 0.14 -3.39 -0.12 0.00 0.50 0.00 0.00 46.19 43.32 2bs3 s LEU 385 CO 0.67 -1.01 1.61 0.29 -1.32 0.00 0.00 176.35 176.59 2bs3 n LYS 386 N 7.18 2.63 -0.18 1.98 4.01 -0.79 -2.07 118.16 130.92 2bs3 n LYS 386 Ca 0.09 0.94 0.00 0.00 -0.51 0.00 0.00 58.31 58.83 2bs3 n LYS 386 Cb 0.48 -2.73 0.00 0.00 -0.51 0.00 0.00 35.03 32.27 2bs3 n LYS 386 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2bs3 n GLY 387 N 2.73 1.10 3.50 0.72 0.00 -1.26 -0.03 105.19 111.95 2bs3 n GLY 387 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2bs3 n GLY 387 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bs3 s LEU 388 N 0.00 3.61 0.33 0.99 2.96 -0.88 -0.69 118.68 125.00 2bs3 s LEU 388 Ca 0.00 -0.13 0.09 0.00 -0.22 0.00 0.00 54.13 53.87 2bs3 s LEU 388 Cb 0.00 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 2bs3 s LEU 388 CO 0.00 -0.02 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.65 2bs3 s PHE 389 N 1.54 2.54 -0.06 5.38 0.40 0.13 -0.39 117.98 127.51 2bs3 s PHE 389 Ca 0.06 -0.42 -0.13 0.00 -0.60 0.00 0.00 56.93 55.84 2bs3 s PHE 389 Cb -0.15 -1.45 0.03 0.00 0.51 0.00 0.00 43.02 41.96 2bs3 s PHE 389 CO 0.05 0.50 0.31 0.45 0.70 0.00 0.00 175.22 177.23 2bs3 s SER 390 N -3.70 -0.25 0.04 1.36 0.15 -0.03 0.02 113.70 111.30 2bs3 s SER 390 Ca 0.34 0.33 -0.17 0.00 0.70 0.00 0.00 55.95 57.16 2bs3 s SER 390 Cb -0.01 0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 2bs3 s SER 390 CO 0.19 -0.29 0.38 0.00 1.20 0.00 0.00 173.24 174.72 2bs3 s ALA 391 N -0.65 -0.92 0.00 5.45 0.00 -0.98 -4.75 121.76 119.90 2bs3 s ALA 391 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2bs3 s ALA 391 Cb -0.04 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.42 2bs3 s ALA 391 CO 0.02 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.75 2bs3 n GLY 392 N 0.52 -1.74 0.29 0.00 0.00 -1.26 -4.22 105.19 98.78 2bs3 n GLY 392 Ca -0.19 -1.63 0.15 0.00 0.00 0.00 0.00 46.02 44.35 2bs3 n GLY 392 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2bs3 h GLU 393 N 0.00 0.00 0.00 1.61 4.81 -1.89 -1.88 114.58 117.23 2bs3 h GLU 393 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2bs3 h GLU 393 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2bs3 h GLU 393 CO 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 179.01 178.29 2bs3 h ALA 394 N 1.99 1.00 -1.41 2.92 0.00 -1.68 -3.41 119.26 118.66 2bs3 h ALA 394 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2bs3 h ALA 394 Cb 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2bs3 h ALA 394 CO 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 179.25 178.95 2bs3 s ALA 395 N -3.45 4.36 -0.49 0.00 0.00 -0.71 -0.23 121.76 121.24 2bs3 s ALA 395 Ca 0.03 -1.77 0.07 0.00 0.00 0.00 0.00 51.96 50.29 2bs3 s ALA 395 Cb 0.09 -1.36 0.24 0.00 0.00 0.00 0.00 23.12 22.10 2bs3 s ALA 395 CO 0.44 -0.30 0.59 0.00 0.00 0.00 0.00 175.76 176.49 2bs3 h TRP 397 N 4.20 0.26 -4.45 0.00 7.01 -1.86 -3.20 115.95 117.91 2bs3 h TRP 397 Ca 0.13 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.04 2bs3 h TRP 397 Cb 0.80 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 2bs3 h TRP 397 CO 0.50 0.72 -0.08 -3.47 -2.79 0.00 0.00 178.44 173.32 2bs3 n ASP 398 N -3.90 -5.62 -0.12 2.65 2.03 -1.26 -4.76 116.55 105.58 2bs3 n ASP 398 Ca -0.02 0.06 0.06 0.00 0.52 0.00 0.00 54.79 55.41 2bs3 n ASP 398 Cb 0.59 -3.68 -0.04 0.00 -0.72 0.00 0.00 41.12 37.26 2bs3 n ASP 398 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 2bs3 n MET 399 N -1.18 2.53 -0.05 -0.67 0.00 -1.26 -0.55 117.12 115.94 2bs3 n MET 399 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 57.70 57.45 2bs3 n MET 399 Cb 0.44 -1.12 -0.15 0.00 0.00 0.00 0.00 33.22 32.40 2bs3 n MET 399 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2bs3 n HIS 400 N -0.86 0.00 0.00 3.17 8.25 -1.26 -4.83 115.22 119.70 2bs3 n HIS 400 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2bs3 n HIS 400 Cb 0.22 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.67 2bs3 n HIS 400 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bs3 n GLY 401 N 1.66 3.57 1.68 -1.41 0.00 -1.26 -1.79 105.19 107.63 2bs3 n GLY 401 Ca -0.17 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 45.91 2bs3 n GLY 401 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bs3 n PHE 402 N 14.00 1.63 -3.15 1.61 3.01 -0.88 -4.81 117.46 128.86 2bs3 n PHE 402 Ca 0.00 -0.63 0.05 0.00 1.01 0.00 0.00 57.45 57.88 2bs3 n PHE 402 Cb 0.00 -0.29 -0.01 0.00 -0.01 0.00 0.00 39.48 39.17 2bs3 n PHE 402 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 2bs3 s ASN 403 N -0.88 -0.71 0.26 4.37 3.04 -0.74 -0.10 114.94 120.18 2bs3 s ASN 403 Ca 0.53 0.28 -0.30 0.00 0.04 0.00 0.00 52.86 53.41 2bs3 s ASN 403 Cb 0.35 1.53 -0.09 0.00 -1.54 0.00 0.00 41.25 41.50 2bs3 s ASN 403 CO 0.24 -0.13 1.04 -0.60 -3.04 0.00 0.00 177.10 174.60 2bs3 s ARG 404 N 2.93 4.72 0.24 0.43 3.00 -1.25 -3.13 118.95 125.88 2bs3 s ARG 404 Ca 0.12 1.68 -0.30 0.00 -1.00 0.00 0.00 55.73 56.23 2bs3 s ARG 404 Cb -0.08 -3.23 -0.09 0.00 0.00 0.00 0.00 34.95 31.55 2bs3 s ARG 404 CO -0.18 0.32 1.04 -0.51 0.00 0.00 0.00 175.30 175.97 2bs3 s LEU 405 N -1.29 4.57 0.15 -0.88 1.43 -1.26 -4.97 118.68 116.44 2bs3 s LEU 405 Ca 0.43 2.10 -0.31 0.00 -1.03 0.00 0.00 54.13 55.32 2bs3 s LEU 405 Cb -0.30 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.20 2bs3 s LEU 405 CO 0.37 -0.04 1.80 -0.83 0.23 0.00 0.00 176.35 177.88 2bs3 s GLY 406 N -0.81 1.30 0.00 -3.19 0.00 -1.26 -1.09 107.32 102.27 2bs3 s GLY 406 Ca 0.44 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.66 2bs3 s GLY 406 CO 0.36 3.07 0.00 0.61 0.00 0.00 0.00 173.10 177.14 2bs3 n GLY 407 N 4.16 0.68 0.11 0.20 0.00 -1.26 -4.34 105.19 104.74 2bs3 n GLY 407 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2bs3 n GLY 407 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bs3 h ASN 408 N 0.00 0.00 0.15 1.61 -0.26 -1.40 0.15 115.58 115.82 2bs3 h ASN 408 Ca 0.00 -0.03 -0.31 0.00 -0.56 0.00 0.00 56.30 55.40 2bs3 h ASN 408 Cb 0.00 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.29 2bs3 h ASN 408 CO 0.00 0.02 -1.29 0.77 -1.06 0.00 0.00 177.43 175.86 2bs3 h SER 409 N 0.00 0.88 0.73 5.81 4.64 -1.92 0.17 113.55 123.87 2bs3 h SER 409 Ca 0.00 -0.84 -0.13 0.00 -0.47 0.00 0.00 61.79 60.35 2bs3 h SER 409 Cb 0.97 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 2bs3 h SER 409 CO 0.00 1.64 -0.60 -0.37 -0.87 0.00 0.00 176.83 176.63 2bs3 h VAL 410 N 0.25 1.34 -0.31 0.95 -1.51 -1.87 -2.05 116.25 113.05 2bs3 h VAL 410 Ca -0.20 -2.13 -0.05 0.00 -1.23 0.00 0.00 66.70 63.09 2bs3 h VAL 410 Cb 1.97 2.18 -0.01 0.00 -2.13 0.00 0.00 31.29 33.30 2bs3 h VAL 410 CO 0.25 0.59 0.01 -1.28 -1.23 0.00 0.00 177.57 175.91 2bs3 h SER 411 N 0.00 0.52 -0.56 4.19 0.87 -1.66 -3.01 113.55 113.90 2bs3 h SER 411 Ca -0.01 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 2bs3 h SER 411 Cb 1.13 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 2bs3 h SER 411 CO 0.08 0.69 0.29 -0.08 -0.53 0.00 0.00 176.83 177.28 2bs3 h GLU 412 N 0.34 0.79 -0.43 2.24 4.81 -0.47 -0.76 114.58 121.10 2bs3 h GLU 412 Ca 0.09 -0.10 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2bs3 h GLU 412 Cb 0.41 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.56 2bs3 h GLU 412 CO 0.01 0.62 -0.13 0.00 -0.73 0.00 0.00 179.01 178.79 2bs3 h ALA 413 N 1.12 0.25 -0.15 2.92 0.00 -1.27 0.79 119.26 122.91 2bs3 h ALA 413 Ca 0.19 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 2bs3 h ALA 413 Cb 0.08 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2bs3 h ALA 413 CO -0.03 -0.47 -0.44 0.28 0.00 0.00 0.00 179.25 178.59 2bs3 h VAL 414 N -0.03 1.34 -0.21 0.00 2.07 -1.41 -1.39 116.25 116.62 2bs3 h VAL 414 Ca 0.21 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 2bs3 h VAL 414 Cb 0.35 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2bs3 h VAL 414 CO -0.46 0.52 0.07 0.58 0.02 0.00 0.00 177.57 178.30 2bs3 h VAL 415 N 0.22 1.18 -0.68 2.57 2.07 -0.67 -0.76 116.25 120.18 2bs3 h VAL 415 Ca -0.01 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2bs3 h VAL 415 Cb 1.06 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2bs3 h VAL 415 CO 0.09 0.18 0.26 0.00 0.02 0.00 0.00 177.57 178.13 2bs3 h ALA 416 N 0.90 1.16 -0.94 1.67 0.00 0.51 0.70 119.26 123.27 2bs3 h ALA 416 Ca 0.07 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.89 2bs3 h ALA 416 Cb 0.22 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 2bs3 h ALA 416 CO -0.00 0.60 0.58 0.78 0.00 0.00 0.00 179.25 181.20 2bs3 h GLY 417 N 1.07 1.48 0.45 0.00 0.00 -0.68 0.39 103.07 105.78 2bs3 h GLY 417 Ca 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2bs3 h GLY 417 CO -0.02 0.19 -0.10 -0.33 0.00 0.00 0.00 176.54 176.28 2bs3 h MET 418 N 0.96 -0.27 0.39 4.80 2.86 -0.21 -1.85 114.93 121.61 2bs3 h MET 418 Ca 0.45 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.08 2bs3 h MET 418 Cb 0.37 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2bs3 h MET 418 CO -0.24 0.12 -0.19 0.82 1.06 0.00 0.00 176.91 178.49 2bs3 h ILE 419 N -0.84 0.44 -0.03 -1.22 2.04 -0.68 -2.00 117.51 115.21 2bs3 h ILE 419 Ca -0.03 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2bs3 h ILE 419 Cb 0.51 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2bs3 h ILE 419 CO 0.05 0.09 -0.11 0.58 0.00 0.00 0.00 178.15 178.75 2bs3 h VAL 420 N -0.96 1.10 -0.73 1.67 2.07 -0.41 -1.43 116.25 117.57 2bs3 h VAL 420 Ca -0.05 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.03 2bs3 h VAL 420 Cb 0.54 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2bs3 h VAL 420 CO 0.09 0.14 0.46 1.23 0.02 0.00 0.00 177.57 179.50 2bs3 h GLY 421 N 0.43 1.05 0.77 2.17 0.00 -1.24 0.36 103.07 106.62 2bs3 h GLY 421 Ca 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2bs3 h GLY 421 CO 0.02 0.29 -0.02 0.83 0.00 0.00 0.00 176.54 177.65 2bs3 h GLU 422 N 0.90 -0.07 -0.56 4.80 4.39 -0.50 0.56 114.58 124.10 2bs3 h GLU 422 Ca 0.29 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.96 2bs3 h GLU 422 Cb 0.02 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2bs3 h GLU 422 CO -0.11 0.17 0.18 1.88 -1.16 0.00 0.00 179.01 179.97 2bs3 h TYR 423 N -0.30 0.85 -0.36 4.33 0.05 -1.22 -0.34 116.97 119.99 2bs3 h TYR 423 Ca -0.01 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.66 2bs3 h TYR 423 Cb 0.27 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2bs3 h TYR 423 CO 0.00 0.69 0.02 0.35 -1.05 0.00 0.00 178.16 178.17 2bs3 h PHE 424 N 0.82 0.67 -0.47 4.88 3.57 -0.17 -0.81 116.94 125.43 2bs3 h PHE 424 Ca 0.19 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2bs3 h PHE 424 Cb 0.23 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2bs3 h PHE 424 CO 0.01 0.70 0.28 0.00 -2.23 0.00 0.00 178.31 177.07 2bs3 h ALA 425 N 0.88 0.60 -0.60 2.41 0.00 -0.48 -0.94 119.26 121.14 2bs3 h ALA 425 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bs3 h ALA 425 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2bs3 h ALA 425 CO 0.01 0.10 0.39 1.49 0.00 0.00 0.00 179.25 181.23 2bs3 h GLU 426 N 0.62 0.75 -0.15 0.00 4.81 -0.86 -1.17 114.58 118.59 2bs3 h GLU 426 Ca 0.17 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2bs3 h GLU 426 Cb 0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2bs3 h GLU 426 CO -0.03 0.50 0.08 1.25 -0.73 0.00 0.00 179.01 180.08 2bs3 h HIS 427 N 0.78 0.20 -0.38 0.92 2.76 -0.78 -1.44 115.15 117.21 2bs3 h HIS 427 Ca 0.23 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 2bs3 h HIS 427 Cb -0.05 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 2bs3 h HIS 427 CO -0.04 0.20 0.09 0.00 -1.30 0.00 0.00 177.93 176.87 2bs3 h ALA 429 N 1.55 0.28 0.00 0.00 0.00 -1.06 -3.36 119.26 116.67 2bs3 h ALA 429 Ca 0.13 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 2bs3 h ALA 429 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2bs3 h ALA 429 CO -0.00 0.79 -1.59 0.09 0.00 0.00 0.00 179.25 178.54 2bs3 n ASN 430 N -3.75 0.50 -4.85 0.00 5.03 -0.56 -4.96 115.26 106.68 2bs3 n ASN 430 Ca -0.08 0.21 -0.32 0.00 0.87 0.00 0.00 54.58 55.26 2bs3 n ASN 430 Cb 0.87 0.89 -0.02 0.00 -1.02 0.00 0.00 39.78 40.49 2bs3 n ASN 430 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2bs3 s THR 431 N -3.17 4.54 -0.07 3.41 -1.32 0.26 -5.06 115.64 114.22 2bs3 s THR 431 Ca -0.05 1.14 0.02 0.00 -1.21 0.00 0.00 61.69 61.59 2bs3 s THR 431 Cb 0.10 -3.73 0.02 0.00 -1.51 0.00 0.00 72.50 67.37 2bs3 s THR 431 CO 0.84 -0.77 -0.11 -1.10 -2.21 0.00 0.00 174.62 171.27 2bs3 s GLN 432 N -4.28 1.61 0.12 7.08 -1.52 -1.26 -4.94 119.66 116.47 2bs3 s GLN 432 Ca 0.58 -0.37 0.07 0.00 -1.95 0.00 0.00 55.36 53.69 2bs3 s GLN 432 Cb -0.10 -1.38 -0.04 0.00 -0.22 0.00 0.00 33.01 31.27 2bs3 s GLN 432 CO 0.36 -0.02 -0.06 0.08 -0.25 0.00 0.00 175.29 175.40 2bs3 s VAL 433 N 0.80 3.53 -0.47 1.09 1.01 -1.26 -5.09 120.40 120.02 2bs3 s VAL 433 Ca -0.12 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 60.52 2bs3 s VAL 433 Cb -0.15 -2.69 0.12 0.00 0.00 0.00 0.00 36.38 33.66 2bs3 s VAL 433 CO 0.02 0.05 0.30 -0.62 0.00 0.00 0.00 175.10 174.85 2bs3 s ASP 434 N -2.42 5.46 -0.59 3.32 -1.08 -1.26 -5.05 116.67 115.05 2bs3 s ASP 434 Ca 0.24 -2.09 -0.22 0.00 -0.52 0.00 0.00 52.55 49.95 2bs3 s ASP 434 Cb -0.11 -1.91 0.06 0.00 -1.46 0.00 0.00 42.92 39.50 2bs3 s ASP 434 CO 0.16 -0.58 0.88 -0.76 0.52 0.00 0.00 175.17 175.38 2bs3 s LEU 435 N 1.07 4.43 -0.23 -1.34 1.43 -1.26 -5.02 118.68 117.77 2bs3 s LEU 435 Ca 0.08 -0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 52.24 2bs3 s LEU 435 Cb -0.24 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 2bs3 s LEU 435 CO -0.03 -1.24 0.57 -1.61 0.23 0.00 0.00 176.35 174.27 2bs3 s GLU 436 N 3.69 4.15 0.52 1.70 2.02 -1.26 -4.94 118.70 124.57 2bs3 s GLU 436 Ca 0.23 0.47 0.20 0.00 0.02 0.00 0.00 54.97 55.89 2bs3 s GLU 436 Cb -0.16 -3.61 1.33 0.00 0.10 0.00 0.00 34.13 31.80 2bs3 s GLU 436 CO 0.14 -0.28 2.12 1.79 0.02 0.00 0.00 175.26 179.05 2bs3 h THR 437 N 5.27 0.89 -0.70 3.63 1.35 -1.99 -1.56 112.91 119.80 2bs3 h THR 437 Ca -0.30 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2bs3 h THR 437 Cb 1.14 1.12 -0.03 0.00 -1.73 0.00 0.00 68.15 68.65 2bs3 h THR 437 CO 0.75 0.06 0.45 0.50 -0.25 0.00 0.00 175.52 177.03 2bs3 h LYS 438 N 0.00 0.93 -0.13 4.72 3.64 -1.99 0.87 116.57 124.60 2bs3 h LYS 438 Ca -0.00 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2bs3 h LYS 438 Cb 0.12 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2bs3 h LYS 438 CO 0.01 0.63 -0.13 1.15 -2.27 0.00 0.00 179.45 178.84 2bs3 h THR 439 N 0.95 1.35 -0.46 1.00 2.02 -1.72 -2.14 112.91 113.90 2bs3 h THR 439 Ca 0.26 -1.28 0.03 0.00 0.77 0.00 0.00 66.41 66.18 2bs3 h THR 439 Cb -0.08 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 2bs3 h THR 439 CO -0.05 0.37 0.25 -0.07 0.37 0.00 0.00 175.52 176.39 2bs3 h LEU 440 N -0.05 0.39 -1.02 2.58 3.38 -1.15 -2.02 115.31 117.41 2bs3 h LEU 440 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2bs3 h LEU 440 Cb 0.65 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2bs3 h LEU 440 CO 0.03 0.27 0.40 -0.33 0.09 0.00 0.00 178.44 178.90 2bs3 h GLU 441 N 0.50 1.09 -0.13 1.13 5.08 -0.83 -0.52 114.58 120.90 2bs3 h GLU 441 Ca 0.19 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2bs3 h GLU 441 Cb 0.06 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2bs3 h GLU 441 CO -0.11 0.82 0.08 -0.22 -1.00 0.00 0.00 179.01 178.57 2bs3 h LYS 442 N 1.09 0.18 -0.32 2.33 3.64 -0.73 0.14 116.57 122.90 2bs3 h LYS 442 Ca 0.27 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 2bs3 h LYS 442 Cb 0.07 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2bs3 h LYS 442 CO -0.04 0.18 -0.06 0.74 -2.27 0.00 0.00 179.45 178.00 2bs3 h PHE 443 N 0.13 0.67 -0.12 1.91 -1.00 -1.17 0.33 116.94 117.70 2bs3 h PHE 443 Ca 0.05 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 2bs3 h PHE 443 Cb 0.05 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.44 2bs3 h PHE 443 CO -0.05 0.77 0.03 0.28 -1.61 0.00 0.00 178.31 177.72 2bs3 h VAL 444 N 0.38 1.21 -0.47 -0.55 2.07 -1.00 -2.14 116.25 115.74 2bs3 h VAL 444 Ca 0.08 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 2bs3 h VAL 444 Cb 0.54 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2bs3 h VAL 444 CO 0.03 0.19 0.10 0.11 0.02 0.00 0.00 177.57 178.02 2bs3 h LYS 445 N -0.01 0.72 -0.90 1.57 1.57 -0.74 -1.38 116.57 117.39 2bs3 h LYS 445 Ca 0.04 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2bs3 h LYS 445 Cb 0.27 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2bs3 h LYS 445 CO 0.00 0.67 0.51 0.78 -0.57 0.00 0.00 179.45 180.83 2bs3 h GLY 446 N 0.91 1.34 1.91 3.86 0.00 -0.72 -0.69 103.07 109.69 2bs3 h GLY 446 Ca 0.15 -0.60 -0.20 0.00 0.00 0.00 0.00 47.33 46.69 2bs3 h GLY 446 CO -0.00 0.57 -0.91 1.46 0.00 0.00 0.00 176.54 177.66 2bs3 h GLN 447 N 1.26 0.08 -0.42 4.80 1.08 -0.97 -1.83 115.11 119.12 2bs3 h GLN 447 Ca 0.32 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 57.32 2bs3 h GLN 447 Cb 0.01 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2bs3 h GLN 447 CO -0.05 0.93 -0.18 0.93 -0.95 0.00 0.00 178.83 179.51 2bs3 h GLU 448 N 0.04 0.80 -0.56 1.46 5.08 -0.96 -0.03 114.58 120.40 2bs3 h GLU 448 Ca -0.03 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 2bs3 h GLU 448 Cb 1.58 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 2bs3 h GLU 448 CO 0.13 0.92 -0.08 0.00 -1.00 0.00 0.00 179.01 178.98 2bs3 h ALA 449 N 1.09 0.77 -0.02 3.43 0.00 -1.07 -1.65 119.26 121.81 2bs3 h ALA 449 Ca 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2bs3 h ALA 449 Cb 0.69 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2bs3 h ALA 449 CO 0.05 0.67 0.01 -0.92 0.00 0.00 0.00 179.25 179.06 2bs3 h TYR 450 N 0.93 0.03 -0.77 0.00 3.20 -0.96 -0.12 116.97 119.28 2bs3 h TYR 450 Ca 0.15 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.09 2bs3 h TYR 450 Cb 0.65 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 2bs3 h TYR 450 CO 0.05 0.11 0.45 0.52 -1.64 0.00 0.00 178.16 177.64 2bs3 h MET 451 N -0.06 0.78 -0.61 1.82 2.86 -0.89 -1.73 114.93 117.11 2bs3 h MET 451 Ca 0.01 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2bs3 h MET 451 Cb 0.09 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2bs3 h MET 451 CO -0.00 0.52 0.22 -0.22 1.06 0.00 0.00 176.91 178.49 2bs3 h LYS 452 N 0.81 0.93 -0.59 1.72 3.64 -0.87 -2.18 116.57 120.03 2bs3 h LYS 452 Ca 0.35 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2bs3 h LYS 452 Cb 0.23 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2bs3 h LYS 452 CO -0.20 0.81 0.19 0.66 -2.27 0.00 0.00 179.45 178.64 2bs3 h SER 453 N 0.87 0.81 -0.45 4.20 4.64 -0.41 -0.43 113.55 122.78 2bs3 h SER 453 Ca 0.20 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 2bs3 h SER 453 Cb 0.24 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2bs3 h SER 453 CO -0.01 0.76 0.04 -0.07 -0.87 0.00 0.00 176.83 176.68 2bs3 h LEU 454 N 0.86 0.74 -1.16 5.97 3.38 -1.06 0.14 115.31 124.17 2bs3 h LEU 454 Ca 0.20 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2bs3 h LEU 454 Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2bs3 h LEU 454 CO -0.01 0.84 -0.37 0.58 0.09 0.00 0.00 178.44 179.57 2bs3 h VAL 455 N 0.62 1.04 -0.00 1.22 2.07 -1.05 -3.10 116.25 117.04 2bs3 h VAL 455 Ca 0.13 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2bs3 h VAL 455 Cb 0.43 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2bs3 h VAL 455 CO 0.01 0.36 -0.69 -0.62 0.02 0.00 0.00 177.57 176.66 2bs3 n GLU 456 N -3.77 0.41 -1.64 1.57 1.02 -0.20 -4.89 120.64 113.14 2bs3 n GLU 456 Ca -0.01 -0.32 -0.45 0.00 -0.02 0.00 0.00 57.16 56.36 2bs3 n GLU 456 Cb 0.45 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 2bs3 n GLU 456 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bs3 n SER 457 N -1.02 2.18 -1.18 1.62 2.88 0.45 -4.87 113.62 113.68 2bs3 n SER 457 Ca 0.07 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.86 2bs3 n SER 457 Cb 0.37 -1.37 0.28 0.00 -0.75 0.00 0.00 64.21 62.74 2bs3 n SER 457 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2bs3 n LYS 458 N 1.42 3.07 -0.99 -1.46 4.01 -1.26 -4.63 118.16 118.31 2bs3 n LYS 458 Ca 0.10 -2.56 -0.34 0.00 -0.51 0.00 0.00 58.31 55.00 2bs3 n LYS 458 Cb 0.31 -1.59 0.11 0.00 -0.51 0.00 0.00 35.03 33.35 2bs3 n LYS 458 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2bs3 n GLY 459 N 1.01 -1.16 0.44 0.72 0.00 -1.26 -4.94 105.19 100.00 2bs3 n GLY 459 Ca 0.21 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.70 2bs3 n GLY 459 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bs3 n THR 460 N -3.28 0.00 -2.42 2.61 -2.24 -0.98 -3.56 114.28 104.41 2bs3 n THR 460 Ca 0.10 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 61.04 2bs3 n THR 460 Cb 0.52 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.95 2bs3 n THR 460 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bs3 s GLU 461 N -0.92 3.66 -0.26 -0.78 0.41 -0.65 -4.82 118.70 115.33 2bs3 s GLU 461 Ca 0.13 1.38 -0.09 0.00 -0.41 0.00 0.00 54.97 55.98 2bs3 s GLU 461 Cb 0.09 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.33 2bs3 s GLU 461 CO 0.14 -0.56 0.12 0.34 -0.49 0.00 0.00 175.26 174.81 2bs3 s ASP 462 N -2.07 5.53 0.28 -0.19 -1.08 -1.26 -2.17 116.67 115.70 2bs3 s ASP 462 Ca 0.68 -0.11 -0.02 0.00 -0.52 0.00 0.00 52.55 52.58 2bs3 s ASP 462 Cb -0.17 -2.01 0.43 0.00 -1.46 0.00 0.00 42.92 39.71 2bs3 s ASP 462 CO 0.24 -0.03 1.90 1.62 0.52 0.00 0.00 175.17 179.41 2bs3 h VAL 463 N 5.43 1.10 -0.38 1.11 3.04 -1.96 -2.02 116.25 122.57 2bs3 h VAL 463 Ca -0.37 -0.39 -0.13 0.00 -1.01 0.00 0.00 66.70 64.79 2bs3 h VAL 463 Cb 1.18 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 2bs3 h VAL 463 CO 0.57 0.21 -0.30 -0.26 -1.01 0.00 0.00 177.57 176.78 2bs3 h PHE 464 N 1.15 0.96 -0.38 3.17 0.04 -1.97 0.13 116.94 120.05 2bs3 h PHE 464 Ca 0.41 -0.25 -0.09 0.00 2.80 0.00 0.00 57.97 60.85 2bs3 h PHE 464 Cb 0.14 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 2bs3 h PHE 464 CO -0.00 1.02 -0.12 0.87 -0.60 0.00 0.00 178.31 179.48 2bs3 h LYS 465 N 0.70 0.66 -0.19 1.51 1.57 -1.89 0.13 116.57 119.05 2bs3 h LYS 465 Ca 0.08 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2bs3 h LYS 465 Cb 0.85 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 2bs3 h LYS 465 CO 0.07 0.76 -0.27 0.82 -0.57 0.00 0.00 179.45 180.26 2bs3 h ILE 466 N 0.60 1.34 -0.69 1.86 2.04 -1.17 -2.04 117.51 119.46 2bs3 h ILE 466 Ca 0.11 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 2bs3 h ILE 466 Cb 0.56 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2bs3 h ILE 466 CO 0.03 0.45 0.26 0.50 0.00 0.00 0.00 178.15 179.40 2bs3 h LYS 467 N 0.19 1.04 -0.18 2.37 3.64 -0.71 -1.93 116.57 120.99 2bs3 h LYS 467 Ca 0.02 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.12 2bs3 h LYS 467 Cb 0.85 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2bs3 h LYS 467 CO 0.06 0.87 -0.28 -0.91 -2.27 0.00 0.00 179.45 176.92 2bs3 h ASN 468 N 0.98 0.34 -0.11 4.20 -0.26 -0.97 -2.49 115.58 117.27 2bs3 h ASN 468 Ca 0.23 -0.11 -0.16 0.00 -0.56 0.00 0.00 56.30 55.70 2bs3 h ASN 468 Cb 0.23 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 2bs3 h ASN 468 CO -0.02 0.62 -0.49 -0.09 -1.06 0.00 0.00 177.43 176.39 2bs3 h ARG 469 N 0.30 0.68 -0.55 0.81 9.65 -1.10 -2.60 114.38 121.56 2bs3 h ARG 469 Ca 0.04 -0.39 0.02 0.00 -1.10 0.00 0.00 59.98 58.54 2bs3 h ARG 469 Cb 0.66 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 2bs3 h ARG 469 CO 0.05 1.01 0.35 1.98 2.80 0.00 0.00 179.97 186.16 2bs3 h MET 470 N 0.53 0.68 -0.38 0.20 4.05 -1.09 -1.55 114.93 117.37 2bs3 h MET 470 Ca 0.03 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 2bs3 h MET 470 Cb 1.04 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.67 2bs3 h MET 470 CO 0.10 0.45 -0.06 0.87 0.23 0.00 0.00 176.91 178.51 2bs3 h LYS 471 N 0.70 0.64 -0.27 0.39 1.57 -1.33 -1.50 116.57 116.77 2bs3 h LYS 471 Ca 0.21 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2bs3 h LYS 471 Cb -0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2bs3 h LYS 471 CO -0.07 0.70 -0.22 -0.44 -0.57 0.00 0.00 179.45 178.85 2bs3 h ASP 472 N 0.59 0.66 -0.84 0.86 3.32 -1.14 -1.84 116.42 118.03 2bs3 h ASP 472 Ca 0.11 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 56.74 2bs3 h ASP 472 Cb 0.46 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 2bs3 h ASP 472 CO 0.02 0.97 0.54 0.58 -1.72 0.00 0.00 179.24 179.64 2bs3 h VAL 473 N 0.35 1.13 -0.32 -1.35 2.07 -1.02 0.11 116.25 117.23 2bs3 h VAL 473 Ca 0.05 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 2bs3 h VAL 473 Cb 0.77 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2bs3 h VAL 473 CO 0.06 0.19 -0.01 0.24 0.02 0.00 0.00 177.57 178.07 2bs3 h MET 474 N 1.05 0.57 -0.40 1.57 2.86 -1.18 -1.44 114.93 117.95 2bs3 h MET 474 Ca 0.34 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 2bs3 h MET 474 Cb 0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2bs3 h MET 474 CO -0.11 0.71 -0.05 -0.44 1.06 0.00 0.00 176.91 178.08 2bs3 h ASP 475 N 0.37 0.74 0.14 1.22 3.32 -0.92 0.30 116.42 121.59 2bs3 h ASP 475 Ca 0.09 -0.34 -0.14 0.00 0.02 0.00 0.00 57.03 56.66 2bs3 h ASP 475 Cb 0.46 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2bs3 h ASP 475 CO 0.02 0.90 -0.51 0.44 -1.72 0.00 0.00 179.24 178.36 2bs3 h ASP 476 N 0.56 0.45 0.00 6.45 3.32 -0.78 -3.37 116.42 123.07 2bs3 h ASP 476 Ca 0.11 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2bs3 h ASP 476 Cb 0.55 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2bs3 h ASP 476 CO 0.03 0.89 -0.72 0.59 -1.72 0.00 0.00 179.24 178.31 2bs3 n ASN 477 N -3.96 2.03 -2.24 6.45 3.02 -0.55 -4.74 115.26 115.28 2bs3 n ASN 477 Ca -0.02 -0.31 -0.20 0.00 -0.03 0.00 0.00 54.58 54.01 2bs3 n ASN 477 Cb 0.57 1.11 0.02 0.00 -0.61 0.00 0.00 39.78 40.87 2bs3 n ASN 477 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2bs3 n VAL 478 N -1.39 2.26 -0.49 2.41 0.31 0.09 -4.60 118.33 116.91 2bs3 n VAL 478 Ca 0.00 -4.10 0.00 0.00 -0.01 0.00 0.00 64.34 60.23 2bs3 n VAL 478 Cb 0.10 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 2bs3 n VAL 478 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bs3 n GLY 479 N -0.63 1.76 0.26 2.92 0.00 -1.24 -4.87 105.19 103.39 2bs3 n GLY 479 Ca 0.36 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.59 2bs3 n GLY 479 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bs3 h ILE 480 N 0.00 0.99 -3.32 -0.61 2.04 -1.91 -3.40 117.51 111.30 2bs3 h ILE 480 Ca 0.00 -0.25 -0.65 0.00 1.00 0.00 0.00 64.86 64.96 2bs3 h ILE 480 Cb 0.00 0.21 -0.26 0.00 -0.74 0.00 0.00 36.82 36.03 2bs3 h ILE 480 CO 0.00 0.13 -0.75 -0.36 0.00 0.00 0.00 178.15 177.17 2bs3 s PHE 481 N -6.10 2.85 0.09 1.37 0.08 -1.26 -4.15 117.98 110.86 2bs3 s PHE 481 Ca -0.13 -0.61 0.06 0.00 0.12 0.00 0.00 56.93 56.37 2bs3 s PHE 481 Cb 0.16 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 2bs3 s PHE 481 CO 0.76 -0.20 -0.14 1.03 -0.10 0.00 0.00 175.22 176.56 2bs3 s ARG 482 N 0.41 0.91 -0.01 0.44 0.52 -0.28 -4.80 118.95 116.15 2bs3 s ARG 482 Ca -0.09 -1.08 -0.08 0.00 -0.52 0.00 0.00 55.73 53.96 2bs3 s ARG 482 Cb -0.16 -0.87 0.01 0.00 0.52 0.00 0.00 34.95 34.45 2bs3 s ARG 482 CO 0.05 0.18 0.16 0.16 0.02 0.00 0.00 175.30 175.87 2bs3 s ASP 483 N -2.04 -0.02 0.20 0.23 -4.77 -1.26 -0.35 116.67 108.65 2bs3 s ASP 483 Ca 0.03 -0.12 -0.16 0.00 -3.30 0.00 0.00 52.55 49.00 2bs3 s ASP 483 Cb -0.08 0.23 0.19 0.00 -1.09 0.00 0.00 42.92 42.17 2bs3 s ASP 483 CO 0.03 -0.35 1.62 1.23 0.70 0.00 0.00 175.17 178.39 2bs3 h GLY 484 N 4.36 0.29 0.18 2.12 0.00 -1.95 -1.45 103.07 106.62 2bs3 h GLY 484 Ca -0.30 0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.35 2bs3 h GLY 484 CO 0.40 -0.22 -0.15 -2.55 0.00 0.00 0.00 176.54 174.02 2bs3 h PRO 485 N -0.05 -0.09 -0.22 4.80 0.11 -2.00 -0.21 132.00 134.34 2bs3 h PRO 485 Ca 0.27 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 2bs3 h PRO 485 Cb 0.46 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 2bs3 h PRO 485 CO -0.61 -0.06 -0.47 0.45 -0.21 0.00 0.00 178.00 177.11 2bs3 h HIS 486 N -0.09 0.68 -0.43 0.65 3.86 -1.88 -2.81 115.15 115.13 2bs3 h HIS 486 Ca 0.17 -0.21 -0.08 0.00 -1.16 0.00 0.00 60.37 59.09 2bs3 h HIS 486 Cb 0.35 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 2bs3 h HIS 486 CO -0.37 0.92 -0.04 -0.07 0.86 0.00 0.00 177.93 179.23 2bs3 h LEU 487 N 0.45 0.69 -0.70 2.43 3.38 -0.82 -0.36 115.31 120.39 2bs3 h LEU 487 Ca 0.03 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2bs3 h LEU 487 Cb 0.98 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2bs3 h LEU 487 CO 0.09 0.79 0.12 -0.33 0.09 0.00 0.00 178.44 179.20 2bs3 h GLU 488 N 0.67 1.12 -0.55 1.13 5.08 -0.97 -0.85 114.58 120.22 2bs3 h GLU 488 Ca 0.13 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 2bs3 h GLU 488 Cb 0.48 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2bs3 h GLU 488 CO 0.02 1.02 0.08 -0.22 -1.00 0.00 0.00 179.01 178.91 2bs3 h LYS 489 N 1.05 0.91 -0.07 2.33 3.64 -1.19 -2.41 116.57 120.83 2bs3 h LYS 489 Ca 0.21 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2bs3 h LYS 489 Cb 0.44 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2bs3 h LYS 489 CO 0.01 0.88 0.04 0.00 -2.27 0.00 0.00 179.45 178.11 2bs3 h ALA 490 N 0.99 0.08 -0.51 5.00 0.00 -0.72 -1.72 119.26 122.38 2bs3 h ALA 490 Ca 0.16 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2bs3 h ALA 490 Cb 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2bs3 h ALA 490 CO 0.01 -0.38 0.24 0.28 0.00 0.00 0.00 179.25 179.41 2bs3 h VAL 491 N 0.01 0.93 -0.59 0.00 2.07 -1.09 0.88 116.25 118.48 2bs3 h VAL 491 Ca 0.02 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2bs3 h VAL 491 Cb 0.08 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2bs3 h VAL 491 CO -0.00 0.09 0.25 0.11 0.02 0.00 0.00 177.57 178.04 2bs3 h LYS 492 N 0.48 0.86 -0.28 1.57 1.79 -1.32 -1.04 116.57 118.62 2bs3 h LYS 492 Ca 0.23 -0.15 -0.15 0.00 -2.18 0.00 0.00 60.65 58.40 2bs3 h LYS 492 Cb 0.16 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2bs3 h LYS 492 CO -0.17 0.73 -0.44 1.49 -1.08 0.00 0.00 179.45 179.97 2bs3 h GLU 493 N 0.81 0.72 -0.67 3.15 4.81 -0.91 -2.01 114.58 120.47 2bs3 h GLU 493 Ca 0.20 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 2bs3 h GLU 493 Cb 0.17 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2bs3 h GLU 493 CO -0.02 1.02 0.23 -0.07 -0.73 0.00 0.00 179.01 179.44 2bs3 h LEU 494 N 0.58 0.96 -0.97 1.64 3.38 -0.63 0.16 115.31 120.43 2bs3 h LEU 494 Ca 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2bs3 h LEU 494 Cb 0.99 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2bs3 h LEU 494 CO 0.09 0.90 0.27 -0.08 0.09 0.00 0.00 178.44 179.72 2bs3 h GLU 495 N 0.97 1.02 -0.30 1.13 4.81 -1.08 0.16 114.58 121.29 2bs3 h GLU 495 Ca 0.22 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 2bs3 h GLU 495 Cb 0.26 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2bs3 h GLU 495 CO -0.01 0.83 -0.42 1.49 -0.73 0.00 0.00 179.01 180.16 2bs3 h GLU 496 N 1.00 0.75 -0.69 1.92 4.81 -0.87 -2.17 114.58 119.33 2bs3 h GLU 496 Ca 0.23 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 2bs3 h GLU 496 Cb 0.19 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2bs3 h GLU 496 CO -0.02 1.03 0.20 -0.07 -0.73 0.00 0.00 179.01 179.42 2bs3 h LEU 497 N 0.60 1.01 -0.27 1.64 4.07 -0.03 -1.88 115.31 120.44 2bs3 h LEU 497 Ca 0.04 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 2bs3 h LEU 497 Cb 0.98 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 2bs3 h LEU 497 CO 0.09 0.95 0.17 0.22 -1.08 0.00 0.00 178.44 178.80 2bs3 h TYR 498 N 1.01 0.36 -0.92 1.13 3.20 -0.45 -0.54 116.97 120.75 2bs3 h TYR 498 Ca 0.22 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2bs3 h TYR 498 Cb 0.31 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 2bs3 h TYR 498 CO 0.02 0.26 0.57 0.87 -1.64 0.00 0.00 178.16 178.25 2bs3 h LYS 499 N 0.35 1.24 0.00 1.82 1.57 -1.18 -2.17 116.57 118.20 2bs3 h LYS 499 Ca 0.10 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2bs3 h LYS 499 Cb 0.00 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 2bs3 h LYS 499 CO -0.02 0.85 -0.41 0.87 -0.57 0.00 0.00 179.45 180.17 2bs3 h LYS 500 N 1.27 0.00 0.00 3.15 1.57 -0.95 -2.83 116.57 118.78 2bs3 h LYS 500 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2bs3 h LYS 500 Cb -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2bs3 h LYS 500 CO -0.07 0.41 -0.02 0.66 -0.57 0.00 0.00 179.45 179.87 2bs3 h SER 501 N 0.00 0.00 0.98 0.86 4.64 -0.42 0.07 113.55 119.68 2bs3 h SER 501 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bs3 h SER 501 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2bs3 h SER 501 CO 0.05 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 2bs3 n LYS 502 N -3.26 0.02 -0.86 4.77 5.02 -1.07 -3.19 118.16 119.58 2bs3 n LYS 502 Ca -0.02 0.04 -0.07 0.00 -2.02 0.00 0.00 58.31 56.24 2bs3 n LYS 502 Cb 0.14 -1.52 0.20 0.00 -0.02 0.00 0.00 35.03 33.83 2bs3 n LYS 502 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2bs3 n ASN 503 N -1.55 2.73 -4.79 4.39 3.02 0.01 -4.99 115.26 114.09 2bs3 n ASN 503 Ca 0.07 -3.72 -0.36 0.00 -0.03 0.00 0.00 54.58 50.53 2bs3 n ASN 503 Cb 0.33 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 2bs3 n ASN 503 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bs3 s VAL 504 N -3.24 3.99 -0.01 2.41 1.01 -1.19 -1.64 120.40 121.74 2bs3 s VAL 504 Ca 0.46 1.50 0.04 0.00 0.00 0.00 0.00 61.98 63.98 2bs3 s VAL 504 Cb 0.42 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2bs3 s VAL 504 CO 0.02 -0.02 -0.14 -0.83 0.00 0.00 0.00 175.10 174.13 2bs3 s GLY 505 N -1.71 0.68 0.16 4.51 0.00 -0.92 -4.18 107.32 105.87 2bs3 s GLY 505 Ca 0.57 -0.61 0.11 0.00 0.00 0.00 0.00 44.72 44.79 2bs3 s GLY 505 CO 0.23 -0.51 -0.25 -0.26 0.00 0.00 0.00 173.10 172.32 2bs3 s ILE 506 N -0.35 2.36 -0.07 0.90 -4.36 -1.26 -4.69 121.20 113.72 2bs3 s ILE 506 Ca 0.05 -1.88 -0.25 0.00 -0.26 0.00 0.00 60.65 58.31 2bs3 s ILE 506 Cb -0.05 -2.09 -0.28 0.00 1.25 0.00 0.00 42.46 41.29 2bs3 s ILE 506 CO -0.00 -0.02 0.89 0.11 0.24 0.00 0.00 174.94 176.16 2bs3 h LYS 507 N 3.51 0.19 -5.90 0.37 1.57 -1.98 -3.44 116.57 110.88 2bs3 h LYS 507 Ca -0.49 -0.28 -0.59 0.00 -1.87 0.00 0.00 60.65 57.42 2bs3 h LYS 507 Cb 1.19 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 33.52 2bs3 h LYS 507 CO 0.44 1.09 0.59 -0.80 -0.57 0.00 0.00 179.45 180.20 2bs3 s ASN 508 N -6.59 6.91 0.16 0.86 0.01 -1.26 -4.94 114.94 110.10 2bs3 s ASN 508 Ca -0.16 1.12 0.24 0.00 -0.71 0.00 0.00 52.86 53.36 2bs3 s ASN 508 Cb -0.00 -2.47 0.33 0.00 0.41 0.00 0.00 41.25 39.52 2bs3 s ASN 508 CO 0.77 -0.59 1.34 0.50 -1.51 0.00 0.00 177.10 177.61 2bs3 h LYS 509 N 7.65 0.00 -7.09 -0.60 1.63 -1.90 -3.45 116.57 112.81 2bs3 h LYS 509 Ca -0.22 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.03 2bs3 h LYS 509 Cb 1.08 0.00 0.17 0.00 -0.60 0.00 0.00 32.23 32.88 2bs3 h LYS 509 CO 0.91 0.00 0.35 2.89 -3.45 0.00 0.00 179.45 180.15 2bs3 n ARG 510 N -2.29 0.66 0.05 1.90 1.85 -1.26 -4.94 116.66 112.63 2bs3 n ARG 510 Ca 0.03 0.29 0.11 0.00 -1.00 0.00 0.00 57.85 57.28 2bs3 n ARG 510 Cb 0.46 -2.42 -0.02 0.00 -1.05 0.00 0.00 32.46 29.44 2bs3 n ARG 510 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2bs3 n LEU 511 N -2.27 0.58 -4.94 2.89 4.77 -1.26 -4.81 117.00 111.97 2bs3 n LEU 511 Ca 0.14 0.11 -0.27 0.00 -0.03 0.00 0.00 56.01 55.97 2bs3 n LEU 511 Cb 0.49 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2bs3 n LEU 511 CO 0.48 -0.05 -0.11 -1.38 -1.33 0.00 0.00 177.39 175.01 2bs3 s HIS 512 N -3.31 3.48 -0.46 -1.77 -3.43 -1.26 -4.14 115.29 104.40 2bs3 s HIS 512 Ca 0.00 0.13 -0.13 0.00 -0.80 0.00 0.00 55.06 54.27 2bs3 s HIS 512 Cb 0.13 -1.67 0.02 0.00 -1.43 0.00 0.00 32.58 29.62 2bs3 s HIS 512 CO 0.81 0.53 0.26 0.00 -2.00 0.00 0.00 174.74 174.34 2bs3 n ALA 513 N -0.44 -1.64 -3.97 -1.38 0.00 -0.84 -4.88 120.51 107.36 2bs3 n ALA 513 Ca -0.07 -0.22 -0.31 0.00 0.00 0.00 0.00 53.44 52.84 2bs3 n ALA 513 Cb 0.54 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 2bs3 n ALA 513 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2bs3 s ASN 514 N -4.20 4.63 0.53 0.00 3.84 -1.26 -4.97 114.94 113.51 2bs3 s ASN 514 Ca 0.17 -2.52 0.20 0.00 0.21 0.00 0.00 52.86 50.92 2bs3 s ASN 514 Cb -0.10 -1.65 1.39 0.00 -0.55 0.00 0.00 41.25 40.34 2bs3 s ASN 514 CO 0.38 -0.33 2.15 1.55 -2.79 0.00 0.00 177.10 178.06 2bs3 h PRO 515 N 7.17 0.00 -0.25 0.43 0.13 -1.95 -1.81 132.00 135.72 2bs3 h PRO 515 Ca -0.06 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.92 2bs3 h PRO 515 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 2bs3 h PRO 515 CO 0.60 0.03 -0.43 1.49 -0.23 0.00 0.00 178.00 179.47 2bs3 h GLU 516 N 0.00 0.72 -0.49 0.86 4.81 -1.94 -2.47 114.58 116.06 2bs3 h GLU 516 Ca -0.00 -0.45 -0.07 0.00 -0.13 0.00 0.00 59.36 58.71 2bs3 h GLU 516 Cb 0.06 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2bs3 h GLU 516 CO 0.00 1.07 0.02 1.25 -0.73 0.00 0.00 179.01 180.62 2bs3 h LEU 517 N 0.45 0.78 -0.54 1.64 5.85 -1.73 -2.17 115.31 119.59 2bs3 h LEU 517 Ca 0.02 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.59 2bs3 h LEU 517 Cb 1.03 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 2bs3 h LEU 517 CO 0.10 0.84 0.29 -0.33 -0.34 0.00 0.00 178.44 178.99 2bs3 h GLU 518 N 0.76 0.54 -0.55 1.25 5.08 -1.20 -1.90 114.58 118.57 2bs3 h GLU 518 Ca 0.15 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2bs3 h GLU 518 Cb 0.44 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2bs3 h GLU 518 CO 0.02 0.36 0.09 0.93 -1.00 0.00 0.00 179.01 179.41 2bs3 h GLU 519 N 0.56 0.88 -0.73 2.33 4.39 -1.11 -1.68 114.58 119.22 2bs3 h GLU 519 Ca 0.24 -0.20 0.11 0.00 0.34 0.00 0.00 59.36 59.84 2bs3 h GLU 519 Cb 0.12 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 2bs3 h GLU 519 CO -0.15 0.82 0.48 0.00 -1.16 0.00 0.00 179.01 179.00 2bs3 h ALA 520 N 1.27 1.91 0.00 3.43 0.00 -0.71 -0.99 119.26 124.16 2bs3 h ALA 520 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2bs3 h ALA 520 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2bs3 h ALA 520 CO 0.01 -0.07 -2.04 2.48 0.00 0.00 0.00 179.25 179.63 2bs3 n TYR 521 N -4.49 0.04 -0.01 0.00 0.18 -1.10 -4.47 117.16 107.32 2bs3 n TYR 521 Ca 0.13 0.01 -0.17 0.00 1.88 0.00 0.00 57.90 59.75 2bs3 n TYR 521 Cb 0.38 -0.61 -0.10 0.00 -0.38 0.00 0.00 39.34 38.63 2bs3 n TYR 521 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2bs3 h ARG 522 N 0.00 0.46 -0.36 -3.48 3.08 -1.00 -3.31 114.38 109.77 2bs3 h ARG 522 Ca -0.10 -0.45 0.07 0.00 0.07 0.00 0.00 59.98 59.56 2bs3 h ARG 522 Cb 1.24 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.35 2bs3 h ARG 522 CO 0.01 1.10 -0.01 0.28 -1.07 0.00 0.00 179.97 180.28 2bs3 h VAL 523 N -0.00 0.72 -0.63 2.04 2.07 -1.42 0.98 116.25 120.01 2bs3 h VAL 523 Ca -0.06 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2bs3 h VAL 523 Cb 1.28 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2bs3 h VAL 523 CO 0.12 0.02 0.42 -0.65 0.02 0.00 0.00 177.57 177.49 2bs3 h PRO 524 N 0.09 0.64 -0.34 1.57 0.11 -1.78 0.23 132.00 132.52 2bs3 h PRO 524 Ca 0.18 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 2bs3 h PRO 524 Cb 0.25 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 2bs3 h PRO 524 CO -0.30 0.42 -0.04 0.52 -0.21 0.00 0.00 178.00 178.39 2bs3 h MET 525 N 0.66 0.62 -0.59 1.05 2.86 -1.24 -2.56 114.93 115.72 2bs3 h MET 525 Ca 0.26 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2bs3 h MET 525 Cb 0.21 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2bs3 h MET 525 CO -0.08 0.77 0.22 0.52 1.06 0.00 0.00 176.91 179.41 2bs3 h MET 526 N 0.41 0.87 -0.63 1.72 2.86 0.30 -2.42 114.93 118.04 2bs3 h MET 526 Ca 0.09 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2bs3 h MET 526 Cb 0.52 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2bs3 h MET 526 CO 0.03 0.73 0.18 -0.07 1.06 0.00 0.00 176.91 178.83 2bs3 h LEU 527 N 0.86 0.90 -0.71 1.22 3.38 -0.81 0.23 115.31 120.38 2bs3 h LEU 527 Ca 0.20 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2bs3 h LEU 527 Cb 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2bs3 h LEU 527 CO -0.02 0.86 -0.34 0.11 0.09 0.00 0.00 178.44 179.14 2bs3 h LYS 528 N 0.93 0.61 -0.08 1.13 1.57 -1.14 0.27 116.57 119.87 2bs3 h LYS 528 Ca 0.20 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2bs3 h LYS 528 Cb 0.29 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2bs3 h LYS 528 CO -0.01 0.87 0.00 0.28 -0.57 0.00 0.00 179.45 180.03 2bs3 h VAL 529 N 0.52 1.24 -0.96 0.50 2.07 -0.95 -2.39 116.25 116.28 2bs3 h VAL 529 Ca 0.06 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 66.90 2bs3 h VAL 529 Cb 0.83 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 2bs3 h VAL 529 CO 0.07 0.21 0.62 0.00 0.02 0.00 0.00 177.57 178.49 2bs3 h ALA 530 N 0.74 1.49 -0.59 1.67 0.00 -0.32 -1.19 119.26 121.06 2bs3 h ALA 530 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2bs3 h ALA 530 Cb 0.33 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2bs3 h ALA 530 CO 0.00 0.35 0.24 -0.07 0.00 0.00 0.00 179.25 179.77 2bs3 h LEU 531 N 1.07 0.77 -0.81 0.00 3.38 -0.72 0.42 115.31 119.41 2bs3 h LEU 531 Ca 0.43 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 2bs3 h LEU 531 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2bs3 h LEU 531 CO -0.18 0.68 -0.28 0.00 0.09 0.00 0.00 178.44 178.75 2bs3 h VAL 533 N 0.49 0.34 -0.09 0.00 2.07 -0.68 -2.03 116.25 116.35 2bs3 h VAL 533 Ca 0.06 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2bs3 h VAL 533 Cb 0.74 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2bs3 h VAL 533 CO 0.06 0.07 -0.05 0.00 0.02 0.00 0.00 177.57 177.67 2bs3 h ALA 534 N -0.78 0.02 -0.66 1.67 0.00 -0.96 -0.78 119.26 117.78 2bs3 h ALA 534 Ca -0.05 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2bs3 h ALA 534 Cb 0.53 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2bs3 h ALA 534 CO 0.09 -0.52 0.17 -0.22 0.00 0.00 0.00 179.25 178.77 2bs3 h LYS 535 N -0.05 1.04 -0.41 0.00 1.63 -1.15 -0.22 116.57 117.41 2bs3 h LYS 535 Ca 0.05 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.57 2bs3 h LYS 535 Cb 0.13 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 2bs3 h LYS 535 CO -0.12 0.91 0.04 0.78 -3.45 0.00 0.00 179.45 177.61 2bs3 h GLY 536 N 1.06 0.69 1.03 5.01 0.00 -1.09 -1.44 103.07 108.33 2bs3 h GLY 536 Ca 0.21 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 2bs3 h GLY 536 CO -0.00 0.38 -0.32 0.00 0.00 0.00 0.00 176.54 176.60 2bs3 h ALA 537 N 1.44 0.48 -0.17 3.60 0.00 -0.50 -2.14 119.26 121.96 2bs3 h ALA 537 Ca 0.13 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2bs3 h ALA 537 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2bs3 h ALA 537 CO 0.01 0.52 0.07 1.25 0.00 0.00 0.00 179.25 181.10 2bs3 h LEU 538 N 0.56 0.24 -0.95 0.00 5.85 -0.74 -3.16 115.31 117.10 2bs3 h LEU 538 Ca 0.05 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2bs3 h LEU 538 Cb 0.90 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2bs3 h LEU 538 CO 0.08 0.32 -0.38 0.44 -0.34 0.00 0.00 178.44 178.56 2bs3 h ASP 539 N 0.14 0.00 -1.47 1.25 5.19 -1.30 -3.40 116.42 116.82 2bs3 h ASP 539 Ca 0.06 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.87 2bs3 h ASP 539 Cb 0.16 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.56 2bs3 h ASP 539 CO -0.01 0.38 1.35 -0.60 -3.12 0.00 0.00 179.24 177.24 2bs3 s ARG 540 N -3.63 3.50 -1.35 3.56 3.52 -0.81 -4.91 118.95 118.83 2bs3 s ARG 540 Ca -0.00 -0.99 -0.12 0.00 -0.13 0.00 0.00 55.73 54.49 2bs3 s ARG 540 Cb 0.11 -5.08 0.11 0.00 -1.56 0.00 0.00 34.95 28.53 2bs3 s ARG 540 CO 0.69 -2.16 1.99 0.25 -0.81 0.00 0.00 175.30 175.25 2bs3 n THR 541 N 6.67 3.93 -3.75 4.11 -2.24 -1.26 -4.82 114.28 116.92 2bs3 n THR 541 Ca 0.26 -3.81 -0.01 0.00 -2.27 0.00 0.00 64.05 58.21 2bs3 n THR 541 Cb 0.50 -2.47 -0.00 0.00 -2.10 0.00 0.00 70.33 66.26 2bs3 n THR 541 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2bs3 s GLU 542 N 1.95 0.92 -0.16 -0.78 -1.05 -1.26 -4.92 118.70 113.41 2bs3 s GLU 542 Ca 0.44 -0.53 0.01 0.00 -0.15 0.00 0.00 54.97 54.74 2bs3 s GLU 542 Cb 0.10 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 2bs3 s GLU 542 CO -0.03 -0.43 -0.20 -1.12 0.95 0.00 0.00 175.26 174.44 2bs3 s SER 543 N -3.09 3.25 -0.13 0.83 0.01 -0.62 -4.02 113.70 109.92 2bs3 s SER 543 Ca 0.16 -0.59 -0.07 0.00 1.31 0.00 0.00 55.95 56.76 2bs3 s SER 543 Cb 0.00 -1.48 0.05 0.00 0.21 0.00 0.00 66.02 64.80 2bs3 s SER 543 CO 0.01 0.05 0.30 -0.60 0.41 0.00 0.00 173.24 173.42 2bs3 s ARG 544 N 0.98 0.27 5.24 12.44 3.52 0.75 -2.99 118.95 139.15 2bs3 s ARG 544 Ca -0.03 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.20 2bs3 s ARG 544 Cb -0.15 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.16 2bs3 s ARG 544 CO -0.05 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 2bs3 n GLY 545 N 4.31 3.48 0.01 8.12 0.00 -1.26 -0.49 105.19 119.36 2bs3 n GLY 545 Ca -0.24 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.04 2bs3 n GLY 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 n ALA 546 N 11.35 2.52 -2.74 4.61 0.00 0.85 -4.66 120.51 132.44 2bs3 n ALA 546 Ca 0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 2bs3 n ALA 546 Cb 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.97 2bs3 n ALA 546 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2bs3 s HIS 547 N -2.86 2.90 -0.28 0.00 5.04 0.36 -4.85 115.29 115.59 2bs3 s HIS 547 Ca 0.18 -0.33 -0.04 0.00 -1.54 0.00 0.00 55.06 53.33 2bs3 s HIS 547 Cb 0.19 -3.87 0.02 0.00 0.04 0.00 0.00 32.58 28.96 2bs3 s HIS 547 CO 0.53 -1.25 0.01 -0.80 -2.34 0.00 0.00 174.74 170.89 2bs3 s ASN 548 N 2.90 4.74 -0.35 9.88 0.01 -1.26 -0.18 114.94 130.69 2bs3 s ASN 548 Ca 0.22 -0.87 -0.11 0.00 -0.71 0.00 0.00 52.86 51.39 2bs3 s ASN 548 Cb -0.16 -1.76 0.00 0.00 0.41 0.00 0.00 41.25 39.74 2bs3 s ASN 548 CO 0.15 -0.18 0.20 -0.13 -1.51 0.00 0.00 177.10 175.63 2bs3 s ARG 549 N 1.39 3.21 0.48 -0.60 1.81 -1.26 -1.12 118.95 122.86 2bs3 s ARG 549 Ca 0.00 -0.83 0.18 0.00 -1.72 0.00 0.00 55.73 53.37 2bs3 s ARG 549 Cb -0.17 -3.71 1.20 0.00 -0.45 0.00 0.00 34.95 31.81 2bs3 s ARG 549 CO -0.01 -0.53 2.06 0.93 -0.68 0.00 0.00 175.30 177.06 2bs3 h GLU 550 N 8.44 0.00 -0.01 3.54 5.08 -1.08 -0.95 114.58 129.60 2bs3 h GLU 550 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2bs3 h GLU 550 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2bs3 h GLU 550 CO 0.65 0.12 -0.09 -0.40 -1.00 0.00 0.00 179.01 178.29 2bs3 n ASP 551 N -4.22 0.86 -2.96 1.42 5.75 -1.26 -4.18 116.55 111.96 2bs3 n ASP 551 Ca -0.03 -0.99 -0.15 0.00 -0.01 0.00 0.00 54.79 53.61 2bs3 n ASP 551 Cb 0.20 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 2bs3 n ASP 551 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2bs3 n TYR 552 N -0.54 -1.80 0.20 2.11 4.02 -0.44 -5.02 117.16 115.68 2bs3 n TYR 552 Ca 0.17 -2.69 0.10 0.00 -0.01 0.00 0.00 57.90 55.46 2bs3 n TYR 552 Cb 0.30 0.64 0.48 0.00 -0.02 0.00 0.00 39.34 40.74 2bs3 n TYR 552 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2bs3 n PRO 553 N 1.28 0.13 -3.94 -0.72 -0.04 -0.72 -1.92 135.00 129.07 2bs3 n PRO 553 Ca 0.15 0.57 -0.29 0.00 -0.04 0.00 0.00 63.50 63.88 2bs3 n PRO 553 Cb 0.60 -1.87 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 2bs3 n PRO 553 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2bs3 s LYS 554 N -3.41 3.40 -0.19 0.54 1.02 -1.26 -4.62 119.74 115.21 2bs3 s LYS 554 Ca -0.01 -0.51 -0.27 0.00 0.02 0.00 0.00 55.97 55.20 2bs3 s LYS 554 Cb 0.06 -2.99 -0.00 0.00 -0.52 0.00 0.00 37.83 34.38 2bs3 s LYS 554 CO 0.21 0.58 0.94 0.50 -0.92 0.00 0.00 175.35 176.65 2bs3 s ARG 555 N -2.75 4.29 -0.80 1.68 3.52 -0.42 -1.59 118.95 122.88 2bs3 s ARG 555 Ca 0.34 1.19 -0.14 0.00 -0.13 0.00 0.00 55.73 57.00 2bs3 s ARG 555 Cb -0.12 -3.60 0.21 0.00 -1.56 0.00 0.00 34.95 29.87 2bs3 s ARG 555 CO 0.28 -0.47 0.76 0.34 -0.81 0.00 0.00 175.30 175.40 2bs3 s ASP 556 N 1.20 6.71 0.00 -2.12 -1.08 -1.26 0.83 116.67 120.94 2bs3 s ASP 556 Ca 0.42 -2.58 0.23 0.00 -0.52 0.00 0.00 52.55 50.10 2bs3 s ASP 556 Cb -0.16 -2.22 1.30 0.00 -1.46 0.00 0.00 42.92 40.38 2bs3 s ASP 556 CO 0.10 -0.62 1.77 0.47 0.52 0.00 0.00 175.17 177.42 2bs3 n ASP 557 N 4.19 0.00 -0.11 -0.34 8.00 -0.85 -0.65 116.55 126.79 2bs3 n ASP 557 Ca 0.12 -0.40 -0.24 0.00 0.71 0.00 0.00 54.79 54.98 2bs3 n ASP 557 Cb 0.46 -0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 41.31 2bs3 n ASP 557 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2bs3 n ILE 558 N -1.14 1.54 -0.02 0.53 5.41 -1.26 -4.28 119.36 120.14 2bs3 n ILE 558 Ca 0.14 -0.12 0.08 0.00 1.00 0.00 0.00 62.75 63.85 2bs3 n ILE 558 Cb 0.13 -2.00 -0.16 0.00 -0.71 0.00 0.00 39.64 36.90 2bs3 n ILE 558 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2bs3 n ASN 559 N -4.36 0.15 -0.48 4.38 3.02 -1.23 -4.64 115.26 112.11 2bs3 n ASN 559 Ca -0.37 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.25 2bs3 n ASN 559 Cb 0.74 1.83 0.18 0.00 -0.61 0.00 0.00 39.78 41.91 2bs3 n ASN 559 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2bs3 n TRP 560 N -2.31 0.00 -2.03 3.10 7.02 0.17 -4.82 117.44 118.58 2bs3 n TRP 560 Ca -0.08 -1.28 -0.42 0.00 -1.02 0.00 0.00 57.50 54.70 2bs3 n TRP 560 Cb 0.64 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 29.31 2bs3 n TRP 560 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2bs3 n LEU 561 N -1.13 6.98 0.00 -0.99 7.94 -1.22 -4.82 117.00 123.76 2bs3 n LEU 561 Ca 0.17 -4.47 -0.02 0.00 -1.11 0.00 0.00 56.01 50.58 2bs3 n LEU 561 Cb 0.69 -1.54 -0.00 0.00 0.53 0.00 0.00 43.42 43.10 2bs3 n LEU 561 CO -0.02 1.38 0.05 -0.46 -1.11 0.00 0.00 177.39 177.23 2bs3 n ASN 562 N 4.46 -0.29 -4.05 1.96 2.04 -1.26 -1.67 115.26 116.45 2bs3 n ASN 562 Ca 0.48 -1.31 -0.25 0.00 -0.44 0.00 0.00 54.58 53.06 2bs3 n ASN 562 Cb 0.35 0.51 -0.16 0.00 -2.53 0.00 0.00 39.78 37.96 2bs3 n ASN 562 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 2bs3 s ARG 563 N -2.10 1.70 0.05 -3.83 3.52 0.93 -4.89 118.95 114.34 2bs3 s ARG 563 Ca 0.04 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 2bs3 s ARG 563 Cb -0.00 -1.42 -0.05 0.00 -1.56 0.00 0.00 34.95 31.91 2bs3 s ARG 563 CO 0.03 0.09 1.14 0.99 -0.81 0.00 0.00 175.30 176.74 2bs3 s THR 564 N 0.47 4.25 -0.23 4.11 2.01 -1.26 -1.38 115.64 123.61 2bs3 s THR 564 Ca -0.11 1.62 0.01 0.00 0.31 0.00 0.00 61.69 63.52 2bs3 s THR 564 Cb -0.14 -4.04 0.04 0.00 0.01 0.00 0.00 72.50 68.37 2bs3 s THR 564 CO 0.03 0.13 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.20 2bs3 s LEU 565 N 1.02 2.90 -0.04 4.42 1.43 0.16 -0.66 118.68 127.91 2bs3 s LEU 565 Ca 0.57 -1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2bs3 s LEU 565 Cb -0.27 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2bs3 s LEU 565 CO 0.29 -0.10 0.08 0.00 0.23 0.00 0.00 176.35 176.85 2bs3 s ALA 566 N 1.22 3.61 0.21 4.21 0.00 0.57 -0.90 121.76 130.69 2bs3 s ALA 566 Ca -0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.06 2bs3 s ALA 566 Cb -0.17 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 2bs3 s ALA 566 CO -0.08 0.66 0.31 -1.54 0.00 0.00 0.00 175.76 175.11 2bs3 s SER 567 N -1.47 0.03 -0.39 0.00 1.04 -0.20 -0.70 113.70 112.01 2bs3 s SER 567 Ca 0.20 -1.09 0.10 0.00 0.48 0.00 0.00 55.95 55.64 2bs3 s SER 567 Cb -0.12 0.48 0.31 0.00 0.10 0.00 0.00 66.02 66.79 2bs3 s SER 567 CO 0.10 -0.97 0.72 1.87 0.98 0.00 0.00 173.24 175.94 2bs3 n TRP 568 N -0.30 -0.51 -0.30 5.02 -0.00 -1.26 -0.66 117.44 119.43 2bs3 n TRP 568 Ca -0.02 -3.44 0.07 0.00 -0.00 0.00 0.00 57.50 54.11 2bs3 n TRP 568 Cb 0.64 -0.06 0.28 0.00 -0.00 0.00 0.00 31.31 32.17 2bs3 n TRP 568 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2bs3 h PRO 569 N 3.35 0.89 -4.81 5.87 0.13 -1.88 -3.37 132.00 132.18 2bs3 h PRO 569 Ca 0.06 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 2bs3 h PRO 569 Cb 0.96 -0.20 -0.24 0.00 0.13 0.00 0.00 31.00 31.65 2bs3 h PRO 569 CO 0.44 0.59 -0.59 1.21 -0.23 0.00 0.00 178.00 179.41 2bs3 s ASN 570 N -5.89 5.32 0.10 1.44 3.84 -1.26 -4.83 114.94 113.66 2bs3 s ASN 570 Ca -0.11 -0.57 0.07 0.00 0.21 0.00 0.00 52.86 52.46 2bs3 s ASN 570 Cb 0.21 -1.94 0.38 0.00 -0.55 0.00 0.00 41.25 39.35 2bs3 s ASN 570 CO 0.80 -0.18 1.22 -0.81 -2.79 0.00 0.00 177.10 175.34 2bs3 n PRO 571 N 4.93 0.04 0.02 0.43 -0.04 -1.26 -1.66 135.00 137.45 2bs3 n PRO 571 Ca -0.14 0.53 -0.06 0.00 -0.04 0.00 0.00 63.50 63.79 2bs3 n PRO 571 Cb 0.49 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 2bs3 n PRO 571 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2bs3 h GLU 572 N 0.00 0.00 -7.10 0.54 5.08 -1.95 -3.47 114.58 107.68 2bs3 h GLU 572 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 2bs3 h GLU 572 Cb 0.01 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.40 2bs3 h GLU 572 CO 0.00 0.58 0.51 1.14 -1.00 0.00 0.00 179.01 180.24 2bs3 s GLN 573 N -2.70 2.71 0.00 2.33 -2.07 -0.67 -4.93 119.66 114.33 2bs3 s GLN 573 Ca -0.02 1.99 0.12 0.00 -1.82 0.00 0.00 55.36 55.63 2bs3 s GLN 573 Cb 0.09 -1.88 0.11 0.00 -1.09 0.00 0.00 33.01 30.23 2bs3 s GLN 573 CO 0.82 -1.45 0.90 0.25 -1.32 0.00 0.00 175.29 174.49 2bs3 n THR 574 N -1.77 0.04 -4.26 3.63 -2.24 -1.26 -4.96 114.28 103.45 2bs3 n THR 574 Ca 0.15 -0.52 -0.18 0.00 -2.27 0.00 0.00 64.05 61.23 2bs3 n THR 574 Cb 0.48 1.23 -0.13 0.00 -2.10 0.00 0.00 70.33 69.81 2bs3 n THR 574 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bs3 s LEU 575 N -1.02 2.19 0.66 3.22 1.43 -1.26 -4.86 118.68 119.03 2bs3 s LEU 575 Ca 0.15 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 2bs3 s LEU 575 Cb 0.10 -0.48 -0.00 0.00 0.03 0.00 0.00 46.19 45.84 2bs3 s LEU 575 CO 0.15 -0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.65 2bs3 s PRO 576 N -1.20 2.88 -0.18 1.29 0.04 -1.26 -4.99 135.00 131.58 2bs3 s PRO 576 Ca -0.01 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 2bs3 s PRO 576 Cb -0.08 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2bs3 s PRO 576 CO 0.01 -1.18 0.34 0.99 0.04 0.00 0.00 177.00 177.20 2bs3 s THR 577 N -2.47 5.26 -0.09 1.26 2.01 0.17 -4.93 115.64 116.85 2bs3 s THR 577 Ca 0.65 0.61 0.02 0.00 0.31 0.00 0.00 61.69 63.28 2bs3 s THR 577 Cb -0.19 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2bs3 s THR 577 CO 0.43 0.33 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.79 2bs3 s LEU 578 N 0.81 2.70 0.28 4.42 1.43 -1.26 -1.03 118.68 126.02 2bs3 s LEU 578 Ca 0.18 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2bs3 s LEU 578 Cb -0.14 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2bs3 s LEU 578 CO 0.06 0.25 0.10 -1.61 0.23 0.00 0.00 176.35 175.37 2bs3 s GLU 579 N -0.14 1.48 -0.01 1.70 2.02 -0.08 -4.98 118.70 118.68 2bs3 s GLU 579 Ca -0.01 -1.81 0.03 0.00 0.02 0.00 0.00 54.97 53.20 2bs3 s GLU 579 Cb -0.14 -0.34 -0.01 0.00 0.10 0.00 0.00 34.13 33.75 2bs3 s GLU 579 CO 0.03 -0.30 -0.11 0.71 0.02 0.00 0.00 175.26 175.62 2bs3 s TYR 580 N -3.66 0.98 -0.29 1.61 1.51 -1.26 -0.67 117.35 115.56 2bs3 s TYR 580 Ca 0.37 -0.19 -0.07 0.00 -1.01 0.00 0.00 57.07 56.17 2bs3 s TYR 580 Cb 0.08 -0.64 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 2bs3 s TYR 580 CO 0.14 -0.03 0.07 -2.00 -1.11 0.00 0.00 175.55 172.63 2bs3 s GLU 581 N -0.19 3.09 0.28 -0.62 2.12 -0.48 -4.93 118.70 117.97 2bs3 s GLU 581 Ca 0.03 -0.86 -0.29 0.00 0.36 0.00 0.00 54.97 54.22 2bs3 s GLU 581 Cb -0.05 -3.36 -0.09 0.00 0.26 0.00 0.00 34.13 30.89 2bs3 s GLU 581 CO -0.00 -0.44 1.01 0.00 -0.54 0.00 0.00 175.26 175.29 2bs3 s ALA 582 N 1.49 3.33 -0.16 6.30 0.00 -1.26 -0.05 121.76 131.41 2bs3 s ALA 582 Ca 0.02 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.51 2bs3 s ALA 582 Cb -0.17 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2bs3 s ALA 582 CO 0.02 0.02 0.58 -0.51 0.00 0.00 0.00 175.76 175.87 2bs3 s LEU 583 N -1.53 4.19 -0.42 0.00 1.43 -0.67 -4.92 118.68 116.76 2bs3 s LEU 583 Ca 0.45 0.83 -0.25 0.00 -1.03 0.00 0.00 54.13 54.13 2bs3 s LEU 583 Cb -0.27 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.15 2bs3 s LEU 583 CO 0.34 -0.17 0.90 -0.62 0.23 0.00 0.00 176.35 177.03 2bs3 s ASP 584 N 1.01 6.55 0.56 2.29 -1.08 -1.26 -4.91 116.67 119.83 2bs3 s ASP 584 Ca 0.28 0.26 0.24 0.00 -0.52 0.00 0.00 52.55 52.81 2bs3 s ASP 584 Cb -0.16 -2.44 1.57 0.00 -1.46 0.00 0.00 42.92 40.43 2bs3 s ASP 584 CO 0.11 -0.95 2.18 0.58 0.52 0.00 0.00 175.17 177.62 2bs3 h VAL 585 N 5.96 0.71 0.00 1.11 2.07 -1.95 -1.44 116.25 122.71 2bs3 h VAL 585 Ca -0.24 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2bs3 h VAL 585 Cb 1.08 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2bs3 h VAL 585 CO 1.00 0.00 -0.11 0.78 0.02 0.00 0.00 177.57 179.25 2bs3 h ASN 586 N 0.00 0.00 -0.56 0.57 -0.26 -1.93 -1.73 115.58 111.67 2bs3 h ASN 586 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2bs3 h ASN 586 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 2bs3 h ASN 586 CO -0.00 0.11 0.00 -0.62 -1.06 0.00 0.00 177.43 175.86 2bs3 n GLU 587 N -3.83 3.59 -3.76 0.81 1.02 -0.54 -4.91 120.64 113.02 2bs3 n GLU 587 Ca -0.02 -2.55 -0.35 0.00 -0.02 0.00 0.00 57.16 54.21 2bs3 n GLU 587 Cb 0.21 -1.89 -0.09 0.00 -0.02 0.00 0.00 31.44 29.66 2bs3 n GLU 587 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2bs3 s MET 588 N -1.95 4.13 0.32 3.49 -1.94 -0.65 -4.78 119.30 117.92 2bs3 s MET 588 Ca 0.45 -0.25 0.15 0.00 -1.71 0.00 0.00 55.69 54.34 2bs3 s MET 588 Cb 0.30 -3.41 0.43 0.00 2.01 0.00 0.00 34.83 34.17 2bs3 s MET 588 CO 0.20 0.25 1.62 1.49 -0.01 0.00 0.00 175.02 178.57 2bs3 h GLU 589 N 6.83 0.00 -4.19 2.03 4.81 -1.87 -3.41 114.58 118.78 2bs3 h GLU 589 Ca -0.40 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.26 2bs3 h GLU 589 Cb 1.16 0.00 -0.38 0.00 0.63 0.00 0.00 28.75 30.16 2bs3 h GLU 589 CO 0.73 0.50 -0.79 0.42 -0.73 0.00 0.00 179.01 179.14 2bs3 s ILE 590 N -3.42 1.19 0.56 2.32 1.01 -1.26 -5.01 121.20 116.60 2bs3 s ILE 590 Ca 0.01 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 2bs3 s ILE 590 Cb 0.11 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 2bs3 s ILE 590 CO 0.72 0.07 1.14 0.00 0.00 0.00 0.00 174.94 176.87 2bs3 s ALA 591 N 1.58 2.65 0.43 9.38 0.00 -1.26 -4.95 121.76 129.58 2bs3 s ALA 591 Ca -0.01 0.84 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 2bs3 s ALA 591 Cb -0.16 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.48 2bs3 s ALA 591 CO -0.07 -0.88 0.98 -2.30 0.00 0.00 0.00 175.76 173.48 2bs3 n PRO 592 N -1.44 1.27 0.00 0.00 -0.02 -1.26 -4.94 135.00 128.61 2bs3 n PRO 592 Ca 0.12 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2bs3 n PRO 592 Cb 0.51 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2bs3 n PRO 592 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bs3 n GLY 593 N 1.23 2.64 3.69 -1.23 0.00 -1.26 -4.93 105.19 105.33 2bs3 n GLY 593 Ca 0.10 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2bs3 n GLY 593 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bs3 s TYR 594 N -0.33 3.51 -0.73 1.61 5.04 -1.26 -4.94 117.35 120.26 2bs3 s TYR 594 Ca 0.00 1.44 0.20 0.00 -2.44 0.00 0.00 57.07 56.27 2bs3 s TYR 594 Cb 0.00 -3.07 0.83 0.00 0.35 0.00 0.00 41.96 40.07 2bs3 s TYR 594 CO 0.00 -0.16 1.61 2.89 -1.34 0.00 0.00 175.55 178.55 2bs3 n ARG 595 N 4.78 0.11 0.00 4.97 1.85 -1.26 -4.91 116.66 122.20 2bs3 n ARG 595 Ca 0.06 0.33 0.00 0.00 -1.00 0.00 0.00 57.85 57.24 2bs3 n ARG 595 Cb 0.49 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 2bs3 n ARG 595 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2bs3 n GLY 596 N 0.08 3.07 3.66 2.89 0.00 -1.26 -4.57 105.19 109.06 2bs3 n GLY 596 Ca 0.03 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 2bs3 n GLY 596 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bs3 s TYR 597 N -0.67 2.96 0.00 1.61 -0.85 -1.26 -5.03 117.35 114.11 2bs3 s TYR 597 Ca 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 2bs3 s TYR 597 Cb 0.00 -1.56 0.00 0.00 0.38 0.00 0.00 41.96 40.78 2bs3 s TYR 597 CO 0.00 0.45 0.00 0.41 -1.52 0.00 0.00 175.55 174.89 2bs3 n GLY 598 N 0.91 -3.44 3.75 5.49 0.00 -1.26 -4.96 105.19 105.68 2bs3 n GLY 598 Ca -0.13 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 2bs3 n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bs3 s ALA 599 N -1.05 2.80 0.52 4.61 0.00 -1.26 -5.02 121.76 122.36 2bs3 s ALA 599 Ca 0.00 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 2bs3 s ALA 599 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 2bs3 s ALA 599 CO 0.00 -1.19 0.84 0.15 0.00 0.00 0.00 175.76 175.56 2bs3 s LYS 600 N -2.93 3.35 -1.30 0.00 1.02 -1.26 -4.10 119.74 114.53 2bs3 s LYS 600 Ca 0.71 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.87 2bs3 s LYS 600 Cb -0.36 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 2bs3 s LYS 600 CO 0.43 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 2bs3 n GLY 601 N -2.40 0.09 1.75 -3.33 0.00 -1.26 -4.82 105.19 95.22 2bs3 n GLY 601 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 2bs3 n GLY 601 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bs3 n ASN 602 N -1.45 4.00 -3.96 1.61 4.05 -1.26 -4.89 115.26 113.37 2bs3 n ASN 602 Ca -0.16 -2.98 -0.16 0.00 0.45 0.00 0.00 54.58 51.74 2bs3 n ASN 602 Cb 0.57 -0.70 -0.14 0.00 1.23 0.00 0.00 39.78 40.74 2bs3 n ASN 602 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 2bs3 s TYR 603 N -2.40 0.44 -0.50 1.20 -0.85 -1.26 -1.29 117.35 112.69 2bs3 s TYR 603 Ca 0.42 -0.09 -0.28 0.00 -0.52 0.00 0.00 57.07 56.59 2bs3 s TYR 603 Cb 0.34 -0.29 0.03 0.00 0.38 0.00 0.00 41.96 42.42 2bs3 s TYR 603 CO 0.10 -0.01 1.10 0.42 -1.52 0.00 0.00 175.55 175.64 2bs3 s ILE 604 N -0.15 4.23 0.40 -3.49 1.01 0.24 -4.89 121.20 118.55 2bs3 s ILE 604 Ca 0.02 1.04 -0.26 0.00 0.00 0.00 0.00 60.65 61.44 2bs3 s ILE 604 Cb -0.02 -4.59 -0.09 0.00 0.01 0.00 0.00 42.46 37.77 2bs3 s ILE 604 CO -0.00 -1.04 1.29 -0.70 0.00 0.00 0.00 174.94 174.49 2bs3 s GLU 605 N 4.40 4.01 -0.22 2.79 2.12 -1.26 -2.02 118.70 128.52 2bs3 s GLU 605 Ca 0.44 2.14 -0.08 0.00 0.36 0.00 0.00 54.97 57.83 2bs3 s GLU 605 Cb -0.08 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 2bs3 s GLU 605 CO 0.29 -0.45 0.09 1.21 -0.54 0.00 0.00 175.26 175.86 2bs3 s ASN 606 N -0.74 5.60 0.39 -1.70 3.84 -1.26 -4.73 114.94 116.35 2bs3 s ASN 606 Ca 0.56 -0.00 0.17 0.00 0.21 0.00 0.00 52.86 53.80 2bs3 s ASN 606 Cb -0.38 -1.99 1.07 0.00 -0.55 0.00 0.00 41.25 39.40 2bs3 s ASN 606 CO 0.49 0.08 1.79 1.55 -2.79 0.00 0.00 177.10 178.21 2bs3 h PRO 607 N 7.41 0.41 -0.07 0.43 0.13 -1.95 0.29 132.00 138.65 2bs3 h PRO 607 Ca -0.37 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2bs3 h PRO 607 Cb 1.17 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2bs3 h PRO 607 CO 0.64 0.27 -0.11 -0.07 -0.23 0.00 0.00 178.00 178.51 2bs3 h LEU 608 N 0.43 0.10 -0.45 1.56 4.07 -1.98 -2.36 115.31 116.67 2bs3 h LEU 608 Ca 0.57 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.48 2bs3 h LEU 608 Cb 1.39 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.08 2bs3 h LEU 608 CO -0.28 0.23 0.16 0.28 -1.08 0.00 0.00 178.44 177.75 2bs3 h SER 609 N 0.10 0.64 -0.61 -0.43 0.02 -0.82 -1.16 113.55 111.30 2bs3 h SER 609 Ca 0.02 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 2bs3 h SER 609 Cb 0.27 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2bs3 h SER 609 CO 0.02 0.66 0.23 0.58 -1.14 0.00 0.00 176.83 177.18 2bs3 h VAL 610 N 0.59 1.24 0.37 2.27 2.07 -1.39 -0.18 116.25 121.21 2bs3 h VAL 610 Ca 0.15 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 2bs3 h VAL 610 Cb 0.24 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2bs3 h VAL 610 CO -0.01 0.29 -0.18 0.50 0.02 0.00 0.00 177.57 178.20 2bs3 h LYS 611 N 0.86 -0.47 -0.83 1.57 3.64 -1.23 -2.08 116.57 118.02 2bs3 h LYS 611 Ca 0.20 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 2bs3 h LYS 611 Cb 0.23 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 2bs3 h LYS 611 CO -0.01 -0.32 0.52 -0.09 -2.27 0.00 0.00 179.45 177.28 2bs3 h ARG 612 N -0.49 0.96 -0.39 1.90 9.65 -1.09 -1.56 114.38 123.35 2bs3 h ARG 612 Ca -0.05 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 58.81 2bs3 h ARG 612 Cb 0.38 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 2bs3 h ARG 612 CO 0.08 0.63 0.16 0.37 2.80 0.00 0.00 179.97 184.01 2bs3 h GLN 613 N 0.99 0.32 -0.58 0.20 5.75 -0.80 0.11 115.11 121.11 2bs3 h GLN 613 Ca 0.35 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.83 2bs3 h GLN 613 Cb 0.08 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 2bs3 h GLN 613 CO -0.14 0.21 0.36 0.93 -2.65 0.00 0.00 178.83 177.54 2bs3 h GLU 614 N 0.33 0.78 -0.77 1.69 5.08 -0.88 -0.52 114.58 120.28 2bs3 h GLU 614 Ca 0.18 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2bs3 h GLU 614 Cb 0.14 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2bs3 h GLU 614 CO -0.17 0.55 0.51 1.49 -1.00 0.00 0.00 179.01 180.39 2bs3 h GLU 615 N 0.78 0.92 0.07 2.33 4.81 -0.46 -0.90 114.58 122.13 2bs3 h GLU 615 Ca 0.21 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2bs3 h GLU 615 Cb -0.04 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.14 2bs3 h GLU 615 CO -0.04 0.61 -0.03 0.82 -0.73 0.00 0.00 179.01 179.63 2bs3 h ILE 616 N 0.94 1.20 -0.95 2.32 2.04 -0.01 -2.28 117.51 120.77 2bs3 h ILE 616 Ca 0.31 -1.05 0.13 0.00 1.00 0.00 0.00 64.86 65.24 2bs3 h ILE 616 Cb 0.05 1.87 -0.08 0.00 -0.74 0.00 0.00 36.82 37.92 2bs3 h ILE 616 CO -0.09 0.26 0.60 0.44 0.00 0.00 0.00 178.15 179.36 2bs3 h ASP 617 N -0.58 0.81 0.63 1.72 3.32 -0.80 -0.76 116.42 120.77 2bs3 h ASP 617 Ca -0.01 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2bs3 h ASP 617 Cb 0.49 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.93 2bs3 h ASP 617 CO 0.02 0.42 -0.30 0.50 -1.72 0.00 0.00 179.24 178.16 2bs3 h LYS 618 N 0.87 -0.82 -0.96 3.56 3.64 -1.14 -1.79 116.57 119.93 2bs3 h LYS 618 Ca 0.47 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 60.04 2bs3 h LYS 618 Cb 0.58 0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 32.50 2bs3 h LYS 618 CO -0.24 -0.50 0.59 0.82 -2.27 0.00 0.00 179.45 177.85 2bs3 h ILE 619 N -1.05 0.86 0.65 2.00 2.04 -0.99 -1.64 117.51 119.38 2bs3 h ILE 619 Ca -0.09 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2bs3 h ILE 619 Cb 0.70 -0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2bs3 h ILE 619 CO 0.14 0.16 -0.31 1.56 0.00 0.00 0.00 178.15 179.70 2bs3 h GLN 620 N 0.89 -0.84 -0.19 2.37 4.20 -1.10 -2.31 115.11 118.13 2bs3 h GLN 620 Ca 0.49 0.06 0.04 0.00 0.06 0.00 0.00 58.65 59.30 2bs3 h GLN 620 Cb 0.56 0.19 -0.07 0.00 0.30 0.00 0.00 27.48 28.46 2bs3 h GLN 620 CO -0.29 -0.53 -0.48 0.77 -0.67 0.00 0.00 178.83 177.63 2bs3 h SER 621 N -0.97 -1.52 0.09 1.46 0.02 -0.84 0.69 113.55 112.48 2bs3 h SER 621 Ca -0.09 0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2bs3 h SER 621 Cb 0.70 0.61 -0.05 0.00 0.14 0.00 0.00 62.40 63.80 2bs3 h SER 621 CO 0.15 -0.44 -0.44 -0.33 -1.14 0.00 0.00 176.83 174.62 2bs3 h GLU 622 N -0.50 -0.64 -0.61 3.45 5.08 -1.36 0.43 114.58 120.44 2bs3 h GLU 622 Ca 0.07 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2bs3 h GLU 622 Cb 0.64 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2bs3 h GLU 622 CO -0.45 -0.42 0.27 -0.07 -1.00 0.00 0.00 179.01 177.33 2bs3 h LEU 623 N -0.66 0.79 -0.83 1.33 3.38 -1.18 -1.00 115.31 117.13 2bs3 h LEU 623 Ca 0.02 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2bs3 h LEU 623 Cb 0.69 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2bs3 h LEU 623 CO -0.27 0.69 -0.13 -0.08 0.09 0.00 0.00 178.44 178.74 2bs3 h GLU 624 N 0.86 0.74 -0.17 1.13 4.81 0.99 -1.94 114.58 120.99 2bs3 h GLU 624 Ca 0.21 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 2bs3 h GLU 624 Cb 0.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2bs3 h GLU 624 CO -0.02 0.83 -0.50 0.00 -0.73 0.00 0.00 179.01 178.59 2bs3 h ALA 625 N 1.19 0.83 0.00 2.92 0.00 0.41 -2.60 119.26 122.01 2bs3 h ALA 625 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2bs3 h ALA 625 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2bs3 h ALA 625 CO 0.04 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.96 2bs3 n ALA 626 N -2.50 2.29 -3.32 0.00 0.00 -0.43 -4.85 120.51 111.69 2bs3 n ALA 626 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 2bs3 n ALA 626 Cb 0.56 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.09 2bs3 n ALA 626 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bs3 n GLY 627 N 0.27 -0.76 3.73 0.00 0.00 -0.98 -5.02 105.19 102.43 2bs3 n GLY 627 Ca 0.00 0.35 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 2bs3 n GLY 627 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bs3 s LYS 628 N -4.85 2.89 0.74 1.61 2.47 -0.77 -5.04 119.74 116.80 2bs3 s LYS 628 Ca 0.24 -0.59 -0.12 0.00 -1.56 0.00 0.00 55.97 53.94 2bs3 s LYS 628 Cb -0.03 -2.74 0.04 0.00 -1.46 0.00 0.00 37.83 33.63 2bs3 s LYS 628 CO 0.73 0.62 1.11 0.16 0.16 0.00 0.00 175.35 178.13 2bs3 s ASP 629 N -1.80 5.09 0.59 1.43 1.47 -1.26 -4.73 116.67 117.47 2bs3 s ASP 629 Ca 0.23 1.11 0.30 0.00 1.18 0.00 0.00 52.55 55.36 2bs3 s ASP 629 Cb -0.12 -1.85 1.79 0.00 -0.34 0.00 0.00 42.92 42.40 2bs3 s ASP 629 CO 0.14 -1.56 2.22 0.08 0.68 0.00 0.00 175.17 176.72 2bs3 h ARG 630 N -0.81 0.00 -0.06 2.11 0.11 -1.99 -2.12 114.38 111.62 2bs3 h ARG 630 Ca -0.46 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.58 2bs3 h ARG 630 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2bs3 h ARG 630 CO 0.63 0.00 -0.12 0.45 0.10 0.00 0.00 179.97 181.03 2bs3 h HIS 631 N 0.00 0.23 -0.37 4.08 3.86 -1.99 -1.65 115.15 119.31 2bs3 h HIS 631 Ca 0.02 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.07 2bs3 h HIS 631 Cb 0.13 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2bs3 h HIS 631 CO 0.00 0.72 -0.08 0.00 0.86 0.00 0.00 177.93 179.42 2bs3 h ALA 632 N 0.47 1.17 -0.40 2.45 0.00 -1.83 -1.97 119.26 119.15 2bs3 h ALA 632 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2bs3 h ALA 632 Cb 0.71 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2bs3 h ALA 632 CO 0.03 0.53 0.02 0.82 0.00 0.00 0.00 179.25 180.65 2bs3 h ILE 633 N 0.58 1.25 -0.27 0.00 2.04 -1.41 -2.36 117.51 117.34 2bs3 h ILE 633 Ca 0.11 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.03 2bs3 h ILE 633 Cb 0.49 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2bs3 h ILE 633 CO 0.03 0.32 0.13 -0.61 0.00 0.00 0.00 178.15 178.02 2bs3 h GLN 634 N 0.52 0.27 -0.97 2.37 -0.00 -0.95 -1.55 115.11 114.79 2bs3 h GLN 634 Ca 0.12 -0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.81 2bs3 h GLN 634 Cb 0.44 -0.06 -0.06 0.00 0.00 0.00 0.00 27.48 27.79 2bs3 h GLN 634 CO 0.02 0.18 0.63 0.93 0.00 0.00 0.00 178.83 180.58 2bs3 h GLU 635 N 0.27 1.11 -0.07 1.69 5.08 -1.26 -0.27 114.58 121.14 2bs3 h GLU 635 Ca 0.11 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2bs3 h GLU 635 Cb 0.04 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2bs3 h GLU 635 CO -0.09 0.73 -0.40 0.00 -1.00 0.00 0.00 179.01 178.25 2bs3 h ALA 636 N 1.47 1.20 0.11 3.43 0.00 -0.86 -3.13 119.26 121.48 2bs3 h ALA 636 Ca 0.41 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2bs3 h ALA 636 Cb 0.14 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2bs3 h ALA 636 CO -0.15 0.56 -0.88 -0.07 0.00 0.00 0.00 179.25 178.71 2bs3 h LEU 637 N 0.13 0.38 -5.94 0.00 3.38 -0.37 -3.46 115.31 109.43 2bs3 h LEU 637 Ca 0.01 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 57.04 2bs3 h LEU 637 Cb 0.77 -0.12 -0.19 0.00 0.09 0.00 0.00 40.66 41.21 2bs3 h LEU 637 CO 0.06 1.40 -0.40 -0.32 0.09 0.00 0.00 178.44 179.27 2bs3 s MET 638 N -2.41 0.71 0.34 1.13 0.00 -0.20 -4.66 119.30 114.21 2bs3 s MET 638 Ca -0.16 -0.09 -0.28 0.00 0.00 0.00 0.00 55.69 55.16 2bs3 s MET 638 Cb 0.01 0.12 -0.10 0.00 0.00 0.00 0.00 34.83 34.87 2bs3 s MET 638 CO 0.79 -1.08 1.26 -1.25 0.00 0.00 0.00 175.02 174.74 2bs3 s PRO 639 N 2.06 4.31 0.20 4.11 0.04 -1.18 -4.68 135.00 139.85 2bs3 s PRO 639 Ca 0.15 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.32 2bs3 s PRO 639 Cb -0.05 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 2bs3 s PRO 639 CO -0.11 -0.19 -0.01 1.52 0.04 0.00 0.00 177.00 178.25 2bs3 s TYR 640 N -1.19 1.38 0.13 0.56 1.13 -1.26 -5.01 117.35 113.08 2bs3 s TYR 640 Ca 0.50 -0.94 0.03 0.00 -1.41 0.00 0.00 57.07 55.25 2bs3 s TYR 640 Cb -0.37 -0.78 -0.04 0.00 -1.10 0.00 0.00 41.96 39.67 2bs3 s TYR 640 CO 0.49 -0.10 0.18 -2.00 -2.51 0.00 0.00 175.55 171.62 2bs3 s GLU 641 N -3.87 3.14 -0.16 -3.49 2.56 -1.26 -5.09 118.70 110.54 2bs3 s GLU 641 Ca 0.25 -0.69 -0.17 0.00 0.00 0.00 0.00 54.97 54.36 2bs3 s GLU 641 Cb 0.05 -2.82 0.04 0.00 2.00 0.00 0.00 34.13 33.41 2bs3 s GLU 641 CO 0.06 0.53 0.46 -0.51 -0.56 0.00 0.00 175.26 175.24 2bs3 s LEU 642 N -2.93 0.24 0.56 2.70 1.43 -1.26 -4.79 118.68 114.63 2bs3 s LEU 642 Ca 0.32 0.85 -0.21 0.00 -1.03 0.00 0.00 54.13 54.07 2bs3 s LEU 642 Cb -0.11 1.61 -0.04 0.00 0.03 0.00 0.00 46.19 47.67 2bs3 s LEU 642 CO 0.25 -0.21 1.29 -2.65 0.23 0.00 0.00 176.35 175.27 2bs3 n PRO 643 N 2.61 1.50 -0.25 1.29 -0.02 -1.26 -4.78 135.00 134.09 2bs3 n PRO 643 Ca -0.14 0.56 0.03 0.00 -2.02 0.00 0.00 63.50 61.93 2bs3 n PRO 643 Cb 0.57 -2.50 0.12 0.00 -0.02 0.00 0.00 33.50 31.67 2bs3 n PRO 643 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bs3 h ALA 644 N 1.18 0.65 -0.16 3.55 0.00 -2.00 -0.63 119.26 121.84 2bs3 h ALA 644 Ca -0.50 0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2bs3 h ALA 644 Cb 1.32 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2bs3 h ALA 644 CO 0.56 -0.42 0.35 -0.22 0.00 0.00 0.00 179.25 179.51 2bs3 h LYS 645 N 0.06 0.00 -0.09 0.00 3.64 -2.03 -1.85 116.57 116.29 2bs3 h LYS 645 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2bs3 h LYS 645 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2bs3 h LYS 645 CO -0.69 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.15 2bs3 n TYR 646 N -3.28 0.29 0.25 1.91 4.01 -0.26 -4.68 117.16 115.40 2bs3 n TYR 646 Ca 0.02 -0.86 0.15 0.00 -0.16 0.00 0.00 57.90 57.04 2bs3 n TYR 646 Cb 0.45 -0.17 0.50 0.00 -0.31 0.00 0.00 39.34 39.81 2bs3 n TYR 646 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2bs3 h LYS 647 N 0.63 0.00 -7.24 -0.72 1.63 -1.19 -3.47 116.57 106.21 2bs3 h LYS 647 Ca 0.00 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.27 2bs3 h LYS 647 Cb 1.03 0.00 0.19 0.00 -0.60 0.00 0.00 32.23 32.85 2bs3 h LYS 647 CO 0.06 0.04 0.28 0.00 -3.45 0.00 0.00 179.45 176.38 2bs3 s ALA 648 N -3.52 1.65 0.61 5.00 0.00 -1.26 -5.02 121.76 119.21 2bs3 s ALA 648 Ca 0.03 0.72 -0.07 0.00 0.00 0.00 0.00 51.96 52.64 2bs3 s ALA 648 Cb 0.08 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2bs3 s ALA 648 CO 0.59 -2.53 0.93 1.03 0.00 0.00 0.00 175.76 175.78 2bs3 s ARG 649 N -4.40 2.86 -0.37 0.00 0.52 -1.26 -5.04 118.95 111.26 2bs3 s ARG 649 Ca 0.70 0.03 -0.13 0.00 -0.52 0.00 0.00 55.73 55.81 2bs3 s ARG 649 Cb -0.26 -2.24 0.01 0.00 0.52 0.00 0.00 34.95 32.98 2bs3 s ARG 649 CO 0.54 -0.77 0.25 -0.80 0.02 0.00 0.00 175.30 174.54 2bs3 s ASN 650 N -4.32 5.94 0.34 0.23 0.01 -1.26 -5.06 114.94 110.82 2bs3 s ASN 650 Ca 0.55 -0.76 -0.29 0.00 -0.71 0.00 0.00 52.86 51.65 2bs3 s ASN 650 Cb -0.11 -2.10 -0.11 0.00 0.41 0.00 0.00 41.25 39.35 2bs3 s ASN 650 CO 0.46 -0.35 1.37 -0.70 -1.51 0.00 0.00 177.10 176.37 2bs3 s GLU 651 N 1.65 4.27 0.13 -0.60 2.12 -1.26 -5.02 118.70 120.00 2bs3 s GLU 651 Ca 0.04 2.34 0.03 0.00 0.36 0.00 0.00 54.97 57.74 2bs3 s GLU 651 Cb -0.18 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 2bs3 s GLU 651 CO 0.09 -0.31 -0.07 1.03 -0.54 0.00 0.00 175.26 175.46 2bs3 s ARG 652 N -1.85 0.99 -0.21 4.30 0.52 -1.26 -5.09 118.95 116.35 2bs3 s ARG 652 Ca 0.50 -1.42 -0.29 0.00 -0.52 0.00 0.00 55.73 54.01 2bs3 s ARG 652 Cb -0.42 -0.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.58 2bs3 s ARG 652 CO 0.56 0.01 2.00 -1.17 0.02 0.00 0.00 175.30 176.72 2bs3 s LEU 653 N -3.13 3.67 0.00 2.53 2.96 -1.26 -2.28 118.68 121.17 2bs3 s LEU 653 Ca 0.16 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 2bs3 s LEU 653 Cb 0.04 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.21 2bs3 s LEU 653 CO -0.01 -1.67 0.00 0.61 -1.32 0.00 0.00 176.35 173.96 2bs3 n GLY 654 N 5.35 1.98 3.49 7.98 0.00 -1.26 -4.99 105.19 117.74 2bs3 n GLY 654 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2bs3 n GLY 654 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bs3 n ASP 655 N 0.00 -1.29 0.00 1.61 8.00 -0.96 -5.25 116.55 118.65 2bs3 n ASP 655 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2bs3 n ASP 655 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 2bs3 n ASP 655 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98