#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1k n THR 3 N 0.00 1.48 -1.96 0.00 -1.04 -1.26 -4.93 114.28 106.57 3a1k n THR 3 Ca 0.00 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.05 61.23 3a1k n THR 3 Cb 0.00 -1.96 -0.02 0.00 -1.82 0.00 0.00 70.33 66.53 3a1k n THR 3 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3a1k s ILE 4 N -0.53 2.44 0.17 12.58 1.01 -1.26 -5.00 121.20 130.61 3a1k s ILE 4 Ca 0.59 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.65 3a1k s ILE 4 Cb -0.49 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3a1k s ILE 4 CO 0.56 0.08 0.34 -0.13 0.00 0.00 0.00 174.94 175.79 3a1k s ARG 5 N -1.24 3.49 0.44 2.79 3.00 -1.26 -5.09 118.95 121.08 3a1k s ARG 5 Ca 0.55 -0.43 -0.17 0.00 0.00 0.00 0.00 55.73 55.68 3a1k s ARG 5 Cb -0.43 -2.90 -0.09 0.00 0.00 0.00 0.00 34.95 31.53 3a1k s ARG 5 CO 0.52 0.46 0.90 -1.25 0.00 0.00 0.00 175.30 175.93 3a1k s PRO 6 N -3.21 4.01 0.69 3.54 0.04 -1.26 -5.07 135.00 133.73 3a1k s PRO 6 Ca 0.37 0.88 -0.03 0.00 0.04 0.00 0.00 61.00 62.25 3a1k s PRO 6 Cb -0.11 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 32.28 3a1k s PRO 6 CO 0.29 -0.10 0.97 0.16 0.04 0.00 0.00 177.00 178.36 3a1k s ASP 7 N -2.72 4.61 0.36 6.66 3.84 -1.26 -4.85 116.67 123.31 3a1k s ASP 7 Ca 0.58 0.02 0.08 0.00 -0.00 0.00 0.00 52.55 53.23 3a1k s ASP 7 Cb -0.10 -0.58 0.79 0.00 -1.38 0.00 0.00 42.92 41.65 3a1k s ASP 7 CO 0.24 -1.68 1.91 0.44 -0.00 0.00 0.00 175.17 176.09 3a1k h ASP 8 N -0.49 0.65 0.28 2.11 3.32 -1.97 -1.30 116.42 119.01 3a1k h ASP 8 Ca -0.41 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.51 3a1k h ASP 8 Cb 1.29 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3a1k h ASP 8 CO 0.49 0.37 -0.59 0.11 -1.72 0.00 0.00 179.24 177.90 3a1k h LYS 9 N 0.71 0.31 -0.40 3.56 1.57 -1.99 -1.61 116.57 118.73 3a1k h LYS 9 Ca 0.38 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3a1k h LYS 9 Cb 0.52 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3a1k h LYS 9 CO -0.15 0.81 -0.08 0.00 -0.57 0.00 0.00 179.45 179.46 3a1k h ALA 10 N 1.14 0.55 -0.34 3.86 0.00 -1.70 0.15 119.26 122.93 3a1k h ALA 10 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3a1k h ALA 10 Cb 1.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3a1k h ALA 10 CO 0.10 0.40 0.20 0.82 0.00 0.00 0.00 179.25 180.77 3a1k h ILE 11 N 0.57 1.12 -0.59 0.00 2.04 -1.16 0.49 117.51 119.98 3a1k h ILE 11 Ca 0.10 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3a1k h ILE 11 Cb 0.60 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3a1k h ILE 11 CO 0.04 0.12 0.29 -0.78 0.00 0.00 0.00 178.15 177.81 3a1k h ASP 12 N 0.43 0.77 -0.59 1.72 3.58 -1.09 -1.60 116.42 119.65 3a1k h ASP 12 Ca 0.12 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3a1k h ASP 12 Cb 0.01 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 3a1k h ASP 12 CO -0.02 0.68 0.37 0.00 -2.88 0.00 0.00 179.24 177.39 3a1k h ALA 13 N 1.12 0.75 -0.59 -0.78 0.00 -0.36 -1.24 119.26 118.16 3a1k h ALA 13 Ca 0.21 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3a1k h ALA 13 Cb 0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3a1k h ALA 13 CO -0.03 0.21 0.35 0.00 0.00 0.00 0.00 179.25 179.79 3a1k h ALA 14 N 1.20 0.77 -0.77 0.00 0.00 -0.48 -1.23 119.26 118.75 3a1k h ALA 14 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3a1k h ALA 14 Cb -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3a1k h ALA 14 CO -0.04 0.07 0.49 0.00 0.00 0.00 0.00 179.25 179.76 3a1k h ALA 15 N 1.27 0.98 -0.76 0.00 0.00 -0.76 -2.38 119.26 117.61 3a1k h ALA 15 Ca 0.25 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3a1k h ALA 15 Cb 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3a1k h ALA 15 CO -0.12 0.42 0.36 0.00 0.00 0.00 0.00 179.25 179.91 3a1k h ARG 16 N 1.05 1.09 -0.98 0.00 3.08 -0.57 0.39 114.38 118.44 3a1k h ARG 16 Ca 0.28 -0.16 0.14 0.00 0.07 0.00 0.00 59.98 60.31 3a1k h ARG 16 Cb -0.08 -0.20 -0.09 0.00 0.08 0.00 0.00 29.97 29.68 3a1k h ARG 16 CO -0.06 0.85 0.60 1.25 -1.07 0.00 0.00 179.97 181.54 3a1k h HIS 17 N 1.07 1.07 -0.15 3.04 2.76 -0.73 -0.61 115.15 121.60 3a1k h HIS 17 Ca 0.26 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 3a1k h HIS 17 Cb 0.12 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.75 3a1k h HIS 17 CO 0.01 0.36 0.00 0.66 -1.30 0.00 0.00 177.93 177.66 3a1k n TYR 18 N -4.69 0.18 -1.14 5.26 4.02 -0.90 -4.92 117.16 114.98 3a1k n TYR 18 Ca 0.20 -0.09 -0.05 0.00 -0.01 0.00 0.00 57.90 57.95 3a1k n TYR 18 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.71 3a1k n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a1k n GLY 19 N 1.24 0.74 3.69 2.72 0.00 -0.24 -5.00 105.19 108.34 3a1k n GLY 19 Ca 0.17 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 3a1k n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1k s ILE 20 N -2.11 5.11 -0.23 -0.61 1.01 0.13 -4.98 121.20 119.51 3a1k s ILE 20 Ca 0.00 1.05 -0.11 0.00 0.00 0.00 0.00 60.65 61.59 3a1k s ILE 20 Cb 0.00 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 3a1k s ILE 20 CO 0.00 0.22 0.17 0.42 0.00 0.00 0.00 174.94 175.75 3a1k s THR 21 N 1.26 5.36 -0.15 2.92 -4.23 -1.26 -3.84 115.64 115.69 3a1k s THR 21 Ca 0.27 0.21 -0.17 0.00 -1.18 0.00 0.00 61.69 60.82 3a1k s THR 21 Cb -0.16 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 3a1k s THR 21 CO 0.11 0.35 0.43 -0.76 -0.54 0.00 0.00 174.62 174.20 3a1k s LEU 22 N 0.99 4.23 0.62 4.79 1.43 -1.26 -5.07 118.68 124.41 3a1k s LEU 22 Ca 0.08 0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 53.72 3a1k s LEU 22 Cb -0.13 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 3a1k s LEU 22 CO 0.04 -0.01 1.04 -0.62 0.23 0.00 0.00 176.35 177.02 3a1k s ASP 23 N 0.73 5.90 0.52 2.29 -1.08 -1.26 -4.79 116.67 118.99 3a1k s ASP 23 Ca 0.22 1.60 0.20 0.00 -0.52 0.00 0.00 52.55 54.05 3a1k s ASP 23 Cb -0.15 -2.50 1.31 0.00 -1.46 0.00 0.00 42.92 40.13 3a1k s ASP 23 CO 0.08 -1.09 2.08 0.07 0.52 0.00 0.00 175.17 176.84 3a1k h LYS 24 N -0.09 0.01 0.02 4.34 -0.00 -1.99 0.21 116.57 119.07 3a1k h LYS 24 Ca -0.45 -0.00 -0.23 0.00 -0.00 0.00 0.00 60.65 59.97 3a1k h LYS 24 Cb 1.20 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 3a1k h LYS 24 CO 0.59 0.01 -0.97 0.00 -0.00 0.00 0.00 179.45 179.08 3a1k h THR 25 N 0.01 1.42 -0.28 0.07 1.03 -2.00 -3.21 112.91 109.95 3a1k h THR 25 Ca 0.11 -2.53 -0.10 0.00 -0.01 0.00 0.00 66.41 63.88 3a1k h THR 25 Cb 0.41 2.48 -0.01 0.00 -1.07 0.00 0.00 68.15 69.97 3a1k h THR 25 CO -0.00 0.75 -0.22 0.00 -0.01 0.00 0.00 175.52 176.04 3a1k h ALA 26 N 0.74 0.40 -0.00 0.00 0.00 -1.31 -2.19 119.26 116.89 3a1k h ALA 26 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3a1k h ALA 26 Cb 1.62 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3a1k h ALA 26 CO 0.17 0.36 0.13 0.00 0.00 0.00 0.00 179.25 179.90 3a1k h ARG 27 N 0.37 0.00 0.02 0.00 3.08 -0.75 -1.13 114.38 115.97 3a1k h ARG 27 Ca 0.05 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.77 3a1k h ARG 27 Cb 0.77 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 3a1k h ARG 27 CO 0.06 0.00 -2.02 -0.11 -1.07 0.00 0.00 179.97 176.82 3a1k n LEU 28 N -3.02 1.12 0.06 3.04 7.94 -1.01 -4.55 117.00 120.57 3a1k n LEU 28 Ca -0.03 0.21 -0.23 0.00 -1.11 0.00 0.00 56.01 54.86 3a1k n LEU 28 Cb 0.19 -0.05 -0.15 0.00 0.53 0.00 0.00 43.42 43.94 3a1k n LEU 28 CO 0.18 0.55 -0.54 -0.33 -1.11 0.00 0.00 177.39 176.13 3a1k h GLU 29 N 0.01 0.36 -0.79 1.96 5.08 -0.67 -3.39 114.58 117.15 3a1k h GLU 29 Ca -0.41 -0.62 0.18 0.00 -1.00 0.00 0.00 59.36 57.50 3a1k h GLU 29 Cb 2.07 0.23 -0.11 0.00 0.50 0.00 0.00 28.75 31.44 3a1k h GLU 29 CO 0.05 1.30 0.25 -1.49 -1.00 0.00 0.00 179.01 178.12 3a1k h TRP 30 N 0.04 0.40 -0.50 4.33 -0.00 -1.49 -2.76 115.95 115.97 3a1k h TRP 30 Ca -0.35 0.04 0.09 0.00 -0.00 0.00 0.00 58.89 58.68 3a1k h TRP 30 Cb 2.04 -0.06 -0.10 0.00 -0.00 0.00 0.00 29.16 31.04 3a1k h TRP 30 CO 0.10 -0.06 -0.30 -1.35 -0.00 0.00 0.00 178.44 176.83 3a1k h PRO 31 N 0.32 -0.17 -0.11 0.49 0.11 -1.80 0.25 132.00 131.08 3a1k h PRO 31 Ca 0.46 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.49 3a1k h PRO 31 Cb 0.80 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 3a1k h PRO 31 CO -0.51 -0.12 -0.35 0.00 -0.21 0.00 0.00 178.00 176.82 3a1k h ALA 32 N 0.98 1.21 -0.39 -0.75 0.00 -1.75 -0.85 119.26 117.70 3a1k h ALA 32 Ca 0.21 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 3a1k h ALA 32 Cb 0.53 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3a1k h ALA 32 CO -0.60 0.53 -0.38 -0.07 0.00 0.00 0.00 179.25 178.74 3a1k h LEU 33 N 0.20 1.00 -0.51 0.00 3.38 -1.00 -1.46 115.31 116.92 3a1k h LEU 33 Ca 0.02 -0.46 -0.16 0.00 0.09 0.00 0.00 57.88 57.37 3a1k h LEU 33 Cb 0.71 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3a1k h LEU 33 CO 0.05 1.26 -0.52 0.40 0.09 0.00 0.00 178.44 179.72 3a1k h ILE 34 N 0.77 1.31 -0.72 1.22 2.04 -0.42 -1.82 117.51 119.90 3a1k h ILE 34 Ca 0.06 -1.75 -0.04 0.00 1.00 0.00 0.00 64.86 64.13 3a1k h ILE 34 Cb 0.97 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 3a1k h ILE 34 CO 0.09 0.55 0.29 -0.78 0.00 0.00 0.00 178.15 178.30 3a1k h ASP 35 N 0.47 0.99 -0.63 1.72 3.58 -1.03 -0.42 116.42 121.09 3a1k h ASP 35 Ca 0.02 -0.17 -0.07 0.00 0.42 0.00 0.00 57.03 57.23 3a1k h ASP 35 Cb 1.07 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.84 3a1k h ASP 35 CO 0.10 0.89 0.13 1.23 -2.88 0.00 0.00 179.24 178.70 3a1k h GLY 36 N 1.02 1.10 1.46 -0.78 0.00 -1.09 -2.74 103.07 102.05 3a1k h GLY 36 Ca 0.24 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3a1k h GLY 36 CO -0.02 0.66 0.14 0.00 0.00 0.00 0.00 176.54 177.32 3a1k h ALA 37 N 1.04 1.37 0.00 3.60 0.00 -0.77 -1.33 119.26 123.18 3a1k h ALA 37 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a1k h ALA 37 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3a1k h ALA 37 CO 0.01 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.00 3a1k n LEU 38 N -4.32 0.00 0.05 0.00 4.77 -0.22 -2.83 117.00 114.45 3a1k n LEU 38 Ca 0.03 0.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.17 3a1k n LEU 38 Cb 0.19 -0.12 0.44 0.00 -2.33 0.00 0.00 43.42 41.60 3a1k n LEU 38 CO 0.38 -0.04 1.09 1.23 -1.33 0.00 0.00 177.39 178.73 3a1k h GLY 39 N 3.50 0.45 1.65 -0.72 0.00 -1.14 -1.24 103.07 105.58 3a1k h GLY 39 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 3a1k h GLY 39 CO 0.00 0.18 -0.51 1.76 0.00 0.00 0.00 176.54 177.97 3a1k h SER 40 N 0.43 0.41 -0.13 0.19 0.02 -1.72 -2.54 113.55 110.21 3a1k h SER 40 Ca 0.11 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 3a1k h SER 40 Cb 0.03 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3a1k h SER 40 CO -0.02 0.85 -0.31 1.88 -1.14 0.00 0.00 176.83 178.09 3a1k h TYR 41 N 0.30 0.71 -0.40 3.45 -1.99 -1.49 -1.38 116.97 116.16 3a1k h TYR 41 Ca 0.01 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.55 3a1k h TYR 41 Cb 1.00 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.55 3a1k h TYR 41 CO 0.03 0.85 0.21 -0.44 -0.00 0.00 0.00 178.16 178.81 3a1k h ASP 42 N 0.53 0.52 -0.32 3.88 3.32 -1.06 0.80 116.42 124.08 3a1k h ASP 42 Ca 0.06 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3a1k h ASP 42 Cb 0.80 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3a1k h ASP 42 CO 0.07 0.48 0.16 0.58 -1.72 0.00 0.00 179.24 178.80 3a1k h VAL 43 N 0.52 1.15 -1.01 -1.35 2.07 -1.20 -1.24 116.25 115.19 3a1k h VAL 43 Ca 0.14 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3a1k h VAL 43 Cb 0.08 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3a1k h VAL 43 CO -0.02 0.15 0.66 0.58 0.02 0.00 0.00 177.57 178.97 3a1k h VAL 44 N 0.39 1.24 -0.47 2.57 2.07 -0.98 0.17 116.25 121.23 3a1k h VAL 44 Ca 0.11 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3a1k h VAL 44 Cb 0.10 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.61 3a1k h VAL 44 CO -0.02 0.24 0.27 0.44 0.02 0.00 0.00 177.57 178.53 3a1k h ASP 45 N 1.34 0.42 -0.15 0.57 3.45 -0.32 0.10 116.42 121.84 3a1k h ASP 45 Ca 0.38 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.81 3a1k h ASP 45 Cb -0.12 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.57 3a1k h ASP 45 CO -0.09 0.30 -0.05 -0.61 -1.57 0.00 0.00 179.24 177.21 3a1k h GLN 46 N 0.53 0.29 -0.70 3.56 5.75 -0.39 -1.31 115.11 122.85 3a1k h GLN 46 Ca 0.20 -0.12 0.05 0.00 -0.15 0.00 0.00 58.65 58.62 3a1k h GLN 46 Cb 0.05 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.54 3a1k h GLN 46 CO -0.11 0.59 0.42 -0.07 -2.65 0.00 0.00 178.83 177.01 3a1k h LEU 47 N -0.03 0.65 -0.32 -2.39 3.38 -0.52 -1.05 115.31 115.03 3a1k h LEU 47 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3a1k h LEU 47 Cb 0.50 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3a1k h LEU 47 CO 0.02 0.44 0.13 0.22 0.09 0.00 0.00 178.44 179.34 3a1k h TYR 48 N 0.79 0.49 -0.80 1.13 5.03 -0.72 0.60 116.97 123.48 3a1k h TYR 48 Ca 0.30 -0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.60 3a1k h TYR 48 Cb 0.11 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 38.20 3a1k h TYR 48 CO -0.06 0.46 0.53 0.00 -1.32 0.00 0.00 178.16 177.77 3a1k h ALA 49 N 0.98 1.49 0.07 1.82 0.00 -0.75 -1.56 119.26 121.31 3a1k h ALA 49 Ca 0.11 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 3a1k h ALA 49 Cb 0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3a1k h ALA 49 CO -0.01 0.44 -1.68 -0.44 0.00 0.00 0.00 179.25 177.56 3a1k h ASP 50 N 1.02 0.24 0.00 0.00 3.32 -0.82 -3.41 116.42 116.76 3a1k h ASP 50 Ca 0.31 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3a1k h ASP 50 Cb -0.01 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3a1k h ASP 50 CO -0.09 1.37 -1.46 -0.62 -1.72 0.00 0.00 179.24 176.73 3a1k n GLU 51 N -3.31 0.38 -2.15 3.56 -0.58 0.21 -4.81 120.64 113.93 3a1k n GLU 51 Ca -0.19 -0.09 -0.02 0.00 -0.42 0.00 0.00 57.16 56.44 3a1k n GLU 51 Cb 1.04 -1.24 0.05 0.00 -0.57 0.00 0.00 31.44 30.73 3a1k n GLU 51 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3a1k n ALA 52 N -1.86 2.98 -2.53 0.62 0.00 -0.60 -5.03 120.51 114.09 3a1k n ALA 52 Ca -0.02 -2.85 -0.41 0.00 0.00 0.00 0.00 53.44 50.16 3a1k n ALA 52 Cb 0.28 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 3a1k n ALA 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3a1k s THR 53 N -2.83 5.20 0.44 0.00 2.01 -1.09 -4.93 115.64 114.44 3a1k s THR 53 Ca 0.34 -0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.00 3a1k s THR 53 Cb 0.36 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 3a1k s THR 53 CO -0.07 -0.10 1.14 -0.81 -0.69 0.00 0.00 174.62 174.09 3a1k n PRO 54 N 5.30 1.58 -1.17 4.92 -0.04 -1.26 -4.95 135.00 139.38 3a1k n PRO 54 Ca -0.10 0.57 -0.32 0.00 -0.04 0.00 0.00 63.50 63.61 3a1k n PRO 54 Cb 0.49 -2.22 0.11 0.00 -0.04 0.00 0.00 33.50 31.84 3a1k n PRO 54 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3a1k s PRO 55 N -2.20 1.90 0.73 0.54 0.04 -1.26 -4.99 135.00 129.75 3a1k s PRO 55 Ca 0.64 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 3a1k s PRO 55 Cb -0.52 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.22 3a1k s PRO 55 CO 0.56 -1.96 1.10 -0.08 0.04 0.00 0.00 177.00 176.66 3a1k s THR 56 N -2.57 3.29 -0.03 1.26 -1.32 -1.26 -4.95 115.64 110.06 3a1k s THR 56 Ca 0.66 0.48 -0.02 0.00 -1.21 0.00 0.00 61.69 61.60 3a1k s THR 56 Cb -0.22 -2.98 0.02 0.00 -1.51 0.00 0.00 72.50 67.82 3a1k s THR 56 CO 0.53 -0.49 0.08 -0.89 -2.21 0.00 0.00 174.62 171.64 3a1k s THR 57 N -2.71 -0.02 -0.33 5.08 2.01 -1.26 -5.11 115.64 113.30 3a1k s THR 57 Ca 0.63 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.76 3a1k s THR 57 Cb -0.18 -0.13 0.10 0.00 0.01 0.00 0.00 72.50 72.29 3a1k s THR 57 CO 0.51 0.04 0.04 -0.94 -0.69 0.00 0.00 174.62 173.58 3a1k s SER 58 N 0.54 4.65 0.15 3.53 1.04 -1.26 -4.58 113.70 117.76 3a1k s SER 58 Ca -0.04 -2.02 0.09 0.00 0.48 0.00 0.00 55.95 54.46 3a1k s SER 58 Cb -0.06 -1.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.49 3a1k s SER 58 CO -0.02 -0.36 -0.21 -0.13 0.98 0.00 0.00 173.24 173.50 3a1k s ARG 59 N 1.00 1.31 0.11 4.02 0.52 -1.26 -5.12 118.95 119.53 3a1k s ARG 59 Ca 0.09 -1.37 -0.08 0.00 -0.52 0.00 0.00 55.73 53.84 3a1k s ARG 59 Cb -0.19 -1.51 -0.06 0.00 0.52 0.00 0.00 34.95 33.71 3a1k s ARG 59 CO -0.09 0.33 0.40 -1.21 0.02 0.00 0.00 175.30 174.75 3a1k s GLU 60 N -2.50 3.71 0.10 3.54 2.02 -1.26 -4.87 118.70 119.44 3a1k s GLU 60 Ca 0.15 0.09 -0.12 0.00 0.02 0.00 0.00 54.97 55.11 3a1k s GLU 60 Cb -0.08 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.25 3a1k s GLU 60 CO 0.07 0.51 0.28 -3.38 0.02 0.00 0.00 175.26 172.76 3a1k s HIS 61 N -1.52 -0.01 -0.02 1.61 -3.43 -1.26 -4.43 115.29 106.23 3a1k s HIS 61 Ca 0.37 -0.36 -0.11 0.00 -0.80 0.00 0.00 55.06 54.16 3a1k s HIS 61 Cb -0.13 0.08 0.02 0.00 -1.43 0.00 0.00 32.58 31.12 3a1k s HIS 61 CO 0.20 -0.61 0.24 0.00 -2.00 0.00 0.00 174.74 172.58 3a1k s ALA 62 N -3.77 -0.60 -0.33 -1.38 0.00 -0.11 -4.96 121.76 110.61 3a1k s ALA 62 Ca 0.04 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.04 3a1k s ALA 62 Cb 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3a1k s ALA 62 CO -0.11 -0.22 0.56 0.08 0.00 0.00 0.00 175.76 176.07 3a1k s VAL 63 N -1.10 4.98 0.54 0.00 1.01 -1.26 -0.57 120.40 124.00 3a1k s VAL 63 Ca -0.12 0.56 -0.22 0.00 0.00 0.00 0.00 61.98 62.21 3a1k s VAL 63 Cb -0.05 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3a1k s VAL 63 CO 0.03 -0.19 1.36 -2.84 0.00 0.00 0.00 175.10 173.46 3a1k s PRO 64 N 2.50 3.19 0.75 2.72 0.02 -1.26 -5.00 135.00 137.91 3a1k s PRO 64 Ca 0.22 2.23 -0.12 0.00 0.02 0.00 0.00 61.00 63.35 3a1k s PRO 64 Cb -0.15 -2.28 0.04 0.00 0.02 0.00 0.00 34.50 32.13 3a1k s PRO 64 CO 0.13 -1.15 1.11 -1.54 -0.33 0.00 0.00 177.00 175.22 3a1k s SER 65 N -0.94 5.06 0.34 2.53 1.04 -1.26 -4.83 113.70 115.64 3a1k s SER 65 Ca 0.71 1.08 0.11 0.00 0.48 0.00 0.00 55.95 58.33 3a1k s SER 65 Cb -0.40 -1.80 0.89 0.00 0.10 0.00 0.00 66.02 64.81 3a1k s SER 65 CO 0.48 -1.58 1.77 0.00 0.98 0.00 0.00 173.24 174.88 3a1k h ALA 66 N -0.82 1.88 0.54 5.32 0.00 -1.95 -2.10 119.26 122.13 3a1k h ALA 66 Ca -0.46 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3a1k h ALA 66 Cb 1.27 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.05 3a1k h ALA 66 CO 0.63 -0.28 -0.26 0.77 0.00 0.00 0.00 179.25 180.11 3a1k h SER 67 N 0.60 -0.62 0.00 0.00 0.02 -1.99 -2.77 113.55 108.79 3a1k h SER 67 Ca 0.60 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 3a1k h SER 67 Cb 1.16 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3a1k h SER 67 CO -0.38 -0.43 0.00 -1.84 -1.14 0.00 0.00 176.83 173.04 3a1k n GLU 68 N -5.40 0.73 -3.10 3.45 0.28 -0.87 -3.61 120.64 112.11 3a1k n GLU 68 Ca -0.12 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.70 3a1k n GLU 68 Cb 0.30 -1.46 -0.02 0.00 1.43 0.00 0.00 31.44 31.69 3a1k n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3a1k n ASN 69 N -0.96 1.16 -0.22 -1.84 5.15 -0.85 -4.87 115.26 112.83 3a1k n ASN 69 Ca 0.16 -3.02 0.07 0.00 -0.60 0.00 0.00 54.58 51.20 3a1k n ASN 69 Cb 0.07 -0.60 0.34 0.00 -0.53 0.00 0.00 39.78 39.06 3a1k n ASN 69 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3a1k h PRO 70 N 2.99 0.76 -0.11 1.20 0.13 -1.59 -2.39 132.00 132.99 3a1k h PRO 70 Ca 0.08 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3a1k h PRO 70 Cb 0.97 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3a1k h PRO 70 CO 0.52 0.50 0.00 1.28 -0.23 0.00 0.00 178.00 180.07 3a1k n LEU 71 N -4.50 2.36 -2.27 1.56 4.77 -1.26 -4.91 117.00 112.75 3a1k n LEU 71 Ca 0.13 -0.87 -0.20 0.00 -0.03 0.00 0.00 56.01 55.03 3a1k n LEU 71 Cb 0.28 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3a1k n LEU 71 CO 0.33 0.43 -0.25 -1.20 -1.33 0.00 0.00 177.39 175.37 3a1k n SER 72 N 0.81 -5.73 0.10 -1.43 7.64 -0.90 -1.44 113.62 112.67 3a1k n SER 72 Ca 0.17 0.08 0.02 0.00 1.01 0.00 0.00 58.87 60.15 3a1k n SER 72 Cb 0.47 -4.82 -0.02 0.00 -1.01 0.00 0.00 64.21 58.84 3a1k n SER 72 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a1k h ALA 73 N 0.84 0.65 -2.67 -0.43 0.00 -1.91 -3.42 119.26 112.33 3a1k h ALA 73 Ca -0.47 -0.58 -0.59 0.00 0.00 0.00 0.00 54.91 53.26 3a1k h ALA 73 Cb 1.35 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 3a1k h ALA 73 CO 0.58 0.72 -0.16 -1.58 0.00 0.00 0.00 179.25 178.81 3a1k s TRP 74 N -2.95 3.72 -0.17 0.00 0.52 -1.26 -0.86 118.94 117.93 3a1k s TRP 74 Ca 0.02 1.03 -0.14 0.00 0.02 0.00 0.00 56.10 57.03 3a1k s TRP 74 Cb 0.08 -2.32 -0.06 0.00 -1.15 0.00 0.00 33.47 30.02 3a1k s TRP 74 CO 0.77 0.60 -0.22 0.98 0.02 0.00 0.00 176.95 179.10 3a1k n TYR 75 N 1.58 0.54 -3.89 -1.98 9.36 0.19 -4.70 117.16 118.26 3a1k n TYR 75 Ca -0.12 0.24 -0.11 0.00 3.32 0.00 0.00 57.90 61.23 3a1k n TYR 75 Cb 0.52 -0.72 -0.11 0.00 -0.63 0.00 0.00 39.34 38.40 3a1k n TYR 75 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3a1k s VAL 76 N -2.51 0.07 0.09 2.97 -7.23 -1.21 -4.57 120.40 108.01 3a1k s VAL 76 Ca -0.23 -0.60 0.04 0.00 -1.81 0.00 0.00 61.98 59.38 3a1k s VAL 76 Cb 0.04 -0.34 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 3a1k s VAL 76 CO 0.34 -0.33 0.04 0.42 -0.31 0.00 0.00 175.10 175.27 3a1k s THR 77 N -1.10 4.28 0.23 5.32 -4.23 0.27 -0.73 115.64 119.67 3a1k s THR 77 Ca -0.12 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 3a1k s THR 77 Cb -0.07 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.72 3a1k s THR 77 CO 0.01 0.11 0.30 0.35 -0.54 0.00 0.00 174.62 174.85 3a1k n THR 78 N 0.47 0.00 -2.92 3.99 -2.24 -0.00 -0.93 114.28 112.65 3a1k n THR 78 Ca -0.10 -1.29 -0.13 0.00 -2.27 0.00 0.00 64.05 60.26 3a1k n THR 78 Cb 0.52 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3a1k n THR 78 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3a1k n SER 79 N -1.86 -1.94 -4.59 3.42 2.88 -1.22 -4.30 113.62 106.01 3a1k n SER 79 Ca 0.01 -3.03 -0.42 0.00 -1.33 0.00 0.00 58.87 54.10 3a1k n SER 79 Cb 0.40 0.97 -0.05 0.00 -0.75 0.00 0.00 64.21 64.78 3a1k n SER 79 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3a1k s ILE 80 N 0.14 4.78 0.53 2.46 1.01 -0.77 -4.93 121.20 124.41 3a1k s ILE 80 Ca 0.33 0.94 -0.20 0.00 0.00 0.00 0.00 60.65 61.71 3a1k s ILE 80 Cb 0.18 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 3a1k s ILE 80 CO -0.18 -0.35 1.12 -2.16 0.00 0.00 0.00 174.94 173.36 3a1k s PRO 81 N 2.99 3.43 0.69 2.79 0.04 -1.26 -1.35 135.00 142.33 3a1k s PRO 81 Ca 0.31 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 62.79 3a1k s PRO 81 Cb -0.14 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3a1k s PRO 81 CO 0.15 -0.78 1.18 -1.25 0.04 0.00 0.00 177.00 176.34 3a1k s PRO 82 N -3.24 2.45 0.02 0.56 0.04 -1.22 -4.90 135.00 128.71 3a1k s PRO 82 Ca 0.72 1.66 0.23 0.00 0.04 0.00 0.00 61.00 63.65 3a1k s PRO 82 Cb -0.23 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.51 3a1k s PRO 82 CO 0.27 -1.57 1.08 0.25 0.04 0.00 0.00 177.00 177.06 3a1k n THR 83 N -2.46 0.07 -3.52 1.26 -2.24 -0.33 -4.94 114.28 102.13 3a1k n THR 83 Ca 0.13 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.63 3a1k n THR 83 Cb 0.51 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 3a1k n THR 83 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3a1k s SER 84 N -3.45 -0.57 0.46 3.42 0.01 -1.21 -4.98 113.70 107.38 3a1k s SER 84 Ca 0.06 0.41 -0.19 0.00 1.31 0.00 0.00 55.95 57.54 3a1k s SER 84 Cb 0.16 0.53 -0.10 0.00 0.21 0.00 0.00 66.02 66.82 3a1k s SER 84 CO 0.80 -0.71 0.97 -1.81 0.41 0.00 0.00 173.24 172.89 3a1k s ASP 85 N -1.73 6.80 0.00 2.44 -0.00 -1.26 -1.05 116.67 121.87 3a1k s ASP 85 Ca -0.07 1.65 0.00 0.00 -0.00 0.00 0.00 52.55 54.13 3a1k s ASP 85 Cb -0.01 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.39 3a1k s ASP 85 CO 0.02 -0.46 0.00 0.61 -0.00 0.00 0.00 175.17 175.34 3a1k n GLY 86 N -0.99 1.36 0.04 0.21 0.00 -1.15 -4.49 105.19 100.18 3a1k n GLY 86 Ca 0.07 -0.73 0.03 0.00 0.00 0.00 0.00 46.02 45.39 3a1k n GLY 86 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a1k n VAL 87 N 0.00 1.67 0.05 1.61 0.24 -1.12 -0.99 118.33 119.78 3a1k n VAL 87 Ca 0.00 0.52 0.05 0.00 -2.04 0.00 0.00 64.34 62.88 3a1k n VAL 87 Cb 0.00 -1.50 0.11 0.00 -1.47 0.00 0.00 33.84 30.98 3a1k n VAL 87 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3a1k n LEU 88 N -1.69 2.56 -4.66 1.34 4.77 -0.10 -5.03 117.00 114.19 3a1k n LEU 88 Ca 0.00 -1.65 -0.46 0.00 -0.03 0.00 0.00 56.01 53.87 3a1k n LEU 88 Cb 0.03 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 3a1k n LEU 88 CO 0.04 0.60 1.04 0.41 -1.33 0.00 0.00 177.39 178.15 3a1k n THR 89 N 0.54 0.66 -0.76 -5.08 -1.04 -0.16 -1.34 114.28 107.09 3a1k n THR 89 Ca 0.10 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3a1k n THR 89 Cb 0.37 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3a1k n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a1k n GLY 90 N 2.49 0.79 3.60 3.41 0.00 -1.25 -4.99 105.19 109.24 3a1k n GLY 90 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3a1k n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1k s ARG 91 N -0.24 2.22 0.03 1.61 1.81 -0.45 -5.04 118.95 118.88 3a1k s ARG 91 Ca 0.00 -1.00 0.04 0.00 -1.72 0.00 0.00 55.73 53.05 3a1k s ARG 91 Cb 0.00 -2.35 -0.04 0.00 -0.45 0.00 0.00 34.95 32.11 3a1k s ARG 91 CO 0.00 0.51 -0.04 1.03 -0.68 0.00 0.00 175.30 176.12 3a1k s ARG 92 N -2.28 2.55 -0.02 3.54 0.52 -1.26 -1.67 118.95 120.33 3a1k s ARG 92 Ca 0.23 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.70 3a1k s ARG 92 Cb -0.11 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 32.84 3a1k s ARG 92 CO 0.15 0.58 -0.07 0.54 0.02 0.00 0.00 175.30 176.53 3a1k s VAL 93 N -1.10 0.58 0.05 3.52 0.11 -0.27 -1.98 120.40 121.32 3a1k s VAL 93 Ca 0.20 -0.25 -0.08 0.00 -2.93 0.00 0.00 61.98 58.92 3a1k s VAL 93 Cb -0.11 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 3a1k s VAL 93 CO 0.11 0.19 0.33 0.00 -3.33 0.00 0.00 175.10 172.40 3a1k s ALA 94 N 0.23 3.79 -0.15 1.54 0.00 -0.42 -0.97 121.76 125.78 3a1k s ALA 94 Ca -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 3a1k s ALA 94 Cb -0.07 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 3a1k s ALA 94 CO 0.00 0.62 -0.12 0.42 0.00 0.00 0.00 175.76 176.68 3a1k s ILE 95 N -1.37 3.01 0.28 0.00 1.01 0.11 -1.95 121.20 122.29 3a1k s ILE 95 Ca 0.31 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 60.01 3a1k s ILE 95 Cb -0.13 -2.28 -0.13 0.00 0.01 0.00 0.00 42.46 39.92 3a1k s ILE 95 CO 0.18 0.51 1.22 1.17 0.00 0.00 0.00 174.94 178.02 3a1k n LYS 96 N 3.88 1.78 0.00 2.79 4.81 -0.89 0.12 118.16 130.65 3a1k n LYS 96 Ca -0.18 0.63 0.03 0.00 -0.87 0.00 0.00 58.31 57.91 3a1k n LYS 96 Cb 0.52 -2.15 0.16 0.00 0.02 0.00 0.00 35.03 33.58 3a1k n LYS 96 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3a1k n ASP 97 N 1.36 0.00 -0.77 3.14 4.64 0.43 -1.59 116.55 123.77 3a1k n ASP 97 Ca 0.09 0.08 0.12 0.00 -1.38 0.00 0.00 54.79 53.70 3a1k n ASP 97 Cb 0.33 -0.20 0.30 0.00 -1.04 0.00 0.00 41.12 40.51 3a1k n ASP 97 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3a1k n ASN 98 N -1.20 2.37 -4.49 1.67 2.04 -1.26 -3.34 115.26 111.06 3a1k n ASN 98 Ca 0.03 -1.79 -0.34 0.00 -0.44 0.00 0.00 54.58 52.04 3a1k n ASN 98 Cb 0.04 -0.06 -0.12 0.00 -2.53 0.00 0.00 39.78 37.11 3a1k n ASN 98 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3a1k s VAL 99 N -1.88 4.04 0.24 3.53 1.01 -0.62 0.11 120.40 126.83 3a1k s VAL 99 Ca 0.34 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3a1k s VAL 99 Cb 0.20 -2.81 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 3a1k s VAL 99 CO 0.31 0.45 1.16 0.42 0.00 0.00 0.00 175.10 177.43 3a1k s THR 100 N 0.72 3.47 -0.19 3.92 -4.23 -0.30 -4.87 115.64 114.17 3a1k s THR 100 Ca -0.00 1.37 -0.01 0.00 -1.18 0.00 0.00 61.69 61.86 3a1k s THR 100 Cb -0.14 -3.87 0.05 0.00 1.34 0.00 0.00 72.50 69.88 3a1k s THR 100 CO 0.02 0.28 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.68 3a1k s VAL 101 N -0.68 0.89 0.27 2.29 1.01 -1.26 -1.14 120.40 121.78 3a1k s VAL 101 Ca 0.48 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 3a1k s VAL 101 Cb -0.33 -1.24 -0.14 0.00 0.00 0.00 0.00 36.38 34.67 3a1k s VAL 101 CO 0.40 -0.07 1.19 0.00 0.00 0.00 0.00 175.10 176.62 3a1k n ALA 102 N 4.92 0.32 -0.90 5.51 0.00 -1.17 -1.96 120.51 127.23 3a1k n ALA 102 Ca -0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3a1k n ALA 102 Cb 0.47 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3a1k n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1k n GLY 103 N 1.49 0.75 3.20 0.00 0.00 -0.82 -4.79 105.19 105.02 3a1k n GLY 103 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3a1k n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1k s VAL 104 N -3.22 2.12 0.73 1.61 1.01 -0.83 -4.48 120.40 117.35 3a1k s VAL 104 Ca 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 3a1k s VAL 104 Cb 0.00 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.58 3a1k s VAL 104 CO 0.00 0.55 1.18 -0.81 0.00 0.00 0.00 175.10 176.03 3a1k n PRO 105 N 3.81 0.62 -3.77 2.72 -0.04 -1.26 -4.15 135.00 132.93 3a1k n PRO 105 Ca -0.19 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 3a1k n PRO 105 Cb 0.52 -2.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.47 3a1k n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a1k s MET 106 N -3.64 0.62 0.00 0.54 0.23 0.42 -4.95 119.30 112.52 3a1k s MET 106 Ca 0.77 -0.12 0.00 0.00 -1.03 0.00 0.00 55.69 55.31 3a1k s MET 106 Cb -0.34 0.28 0.00 0.00 -1.53 0.00 0.00 34.83 33.24 3a1k s MET 106 CO 0.46 -0.16 0.08 0.00 -2.03 0.00 0.00 175.02 173.37 3a1k n MET 107 N 1.50 0.75 -4.11 3.16 0.00 -1.26 -3.71 117.12 113.44 3a1k n MET 107 Ca -0.21 -0.08 -0.32 0.00 0.00 0.00 0.00 57.70 57.09 3a1k n MET 107 Cb 0.56 -0.43 -0.02 0.00 0.00 0.00 0.00 33.22 33.34 3a1k n MET 107 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3a1k n ASN 108 N -0.13 -2.51 -1.45 3.17 5.15 -1.21 -0.48 115.26 117.81 3a1k n ASN 108 Ca 0.00 -0.99 -0.14 0.00 -0.60 0.00 0.00 54.58 52.85 3a1k n ASN 108 Cb 0.10 -2.95 -0.06 0.00 -0.53 0.00 0.00 39.78 36.34 3a1k n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3a1k n GLY 109 N -1.62 1.29 3.20 8.20 0.00 -1.25 -1.62 105.19 113.40 3a1k n GLY 109 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 3a1k n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a1k s SER 110 N -2.20 2.03 0.52 1.61 0.15 0.37 -1.76 113.70 114.42 3a1k s SER 110 Ca 0.00 -0.56 0.32 0.00 0.70 0.00 0.00 55.95 56.41 3a1k s SER 110 Cb 0.00 -0.12 1.26 0.00 -1.71 0.00 0.00 66.02 65.45 3a1k s SER 110 CO 0.00 0.04 1.93 0.03 1.20 0.00 0.00 173.24 176.45 3a1k h ARG 111 N 4.59 0.00 0.00 5.44 2.47 -1.88 -1.95 114.38 123.05 3a1k h ARG 111 Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 3a1k h ARG 111 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 3a1k h ARG 111 CO 0.42 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.20 3a1k n THR 112 N -3.01 0.40 -0.01 2.04 -2.24 -1.26 -3.87 114.28 106.33 3a1k n THR 112 Ca 0.01 -0.11 -0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3a1k n THR 112 Cb 0.32 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 67.91 3a1k n THR 112 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3a1k n VAL 113 N -1.92 0.12 -1.59 2.28 0.31 -1.06 -4.28 118.33 112.18 3a1k n VAL 113 Ca 0.06 -0.10 -0.48 0.00 -0.01 0.00 0.00 64.34 63.80 3a1k n VAL 113 Cb 0.37 -0.34 -0.04 0.00 -0.91 0.00 0.00 33.84 32.92 3a1k n VAL 113 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3a1k n GLU 114 N -1.90 1.27 0.00 5.55 2.13 -0.76 -2.29 120.64 124.64 3a1k n GLU 114 Ca -0.03 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.24 3a1k n GLU 114 Cb 0.38 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 30.12 3a1k n GLU 114 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a1k n GLY 115 N 2.03 0.63 3.79 8.31 0.00 -1.26 -5.02 105.19 113.67 3a1k n GLY 115 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3a1k n GLY 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3a1k s PHE 116 N -2.00 3.62 -0.24 1.61 5.36 -0.97 -4.98 117.98 120.37 3a1k s PHE 116 Ca 0.00 0.88 0.01 0.00 -0.96 0.00 0.00 56.93 56.85 3a1k s PHE 116 Cb 0.00 -2.36 0.06 0.00 -0.34 0.00 0.00 43.02 40.38 3a1k s PHE 116 CO 0.00 0.44 -0.04 -0.08 -1.46 0.00 0.00 175.22 174.09 3a1k s THR 117 N -0.33 1.48 0.90 0.12 -1.32 -1.26 -0.44 115.64 114.80 3a1k s THR 117 Ca 0.23 -1.25 -0.10 0.00 -1.21 0.00 0.00 61.69 59.35 3a1k s THR 117 Cb -0.15 -1.79 0.14 0.00 -1.51 0.00 0.00 72.50 69.18 3a1k s THR 117 CO 0.10 -0.16 1.13 -2.16 -2.21 0.00 0.00 174.62 171.32 3a1k s PRO 118 N 1.41 1.12 -0.00 7.08 0.04 -1.26 -4.82 135.00 138.57 3a1k s PRO 118 Ca -0.04 1.40 0.13 0.00 0.04 0.00 0.00 61.00 62.53 3a1k s PRO 118 Cb -0.19 -1.75 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 3a1k s PRO 118 CO -0.07 -2.51 0.49 -1.13 0.04 0.00 0.00 177.00 173.82 3a1k n SER 119 N -4.14 0.87 -4.40 6.66 3.41 -1.26 -1.94 113.62 112.83 3a1k n SER 119 Ca 0.11 -0.65 -0.27 0.00 -0.26 0.00 0.00 58.87 57.80 3a1k n SER 119 Cb 0.52 1.12 -0.12 0.00 -0.26 0.00 0.00 64.21 65.47 3a1k n SER 119 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3a1k s ARG 120 N -2.34 1.44 0.03 4.33 0.52 -1.26 -4.79 118.95 116.88 3a1k s ARG 120 Ca 0.03 -1.45 -0.12 0.00 -0.52 0.00 0.00 55.73 53.67 3a1k s ARG 120 Cb 0.09 -1.77 -0.06 0.00 0.52 0.00 0.00 34.95 33.74 3a1k s ARG 120 CO 0.53 0.39 0.40 -0.51 0.02 0.00 0.00 175.30 176.12 3a1k s ASP 121 N -2.48 6.72 0.66 0.23 1.01 -1.26 -3.06 116.67 118.49 3a1k s ASP 121 Ca 0.18 0.87 -0.16 0.00 0.71 0.00 0.00 52.55 54.14 3a1k s ASP 121 Cb -0.08 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.64 3a1k s ASP 121 CO 0.08 0.26 1.16 0.00 0.21 0.00 0.00 175.17 176.88 3a1k s ALA 122 N -1.23 2.37 0.24 5.23 0.00 -0.29 -4.84 121.76 123.23 3a1k s ALA 122 Ca 0.28 0.76 -0.06 0.00 0.00 0.00 0.00 51.96 52.94 3a1k s ALA 122 Cb -0.15 -3.40 0.31 0.00 0.00 0.00 0.00 23.12 19.88 3a1k s ALA 122 CO 0.15 -1.44 1.85 1.15 0.00 0.00 0.00 175.76 177.48 3a1k h THR 123 N 0.15 1.05 -0.57 0.00 2.02 -1.81 -1.67 112.91 112.07 3a1k h THR 123 Ca -0.48 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3a1k h THR 123 Cb 1.27 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3a1k h THR 123 CO 0.53 0.17 0.37 -0.37 0.37 0.00 0.00 175.52 176.60 3a1k h VAL 124 N 0.95 1.15 -0.31 3.16 -1.51 -1.82 -1.50 116.25 116.37 3a1k h VAL 124 Ca 0.36 -0.28 -0.04 0.00 -1.23 0.00 0.00 66.70 65.51 3a1k h VAL 124 Cb 0.15 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 29.61 3a1k h VAL 124 CO -0.17 0.14 0.03 0.58 -1.23 0.00 0.00 177.57 176.93 3a1k h VAL 125 N 0.77 1.24 -0.42 7.19 2.07 -1.66 -0.96 116.25 124.48 3a1k h VAL 125 Ca 0.21 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 3a1k h VAL 125 Cb -0.08 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3a1k h VAL 125 CO -0.04 0.28 0.26 0.74 0.02 0.00 0.00 177.57 178.83 3a1k h THR 126 N 0.33 1.13 -0.53 2.57 2.02 -1.02 -1.38 112.91 116.04 3a1k h THR 126 Ca 0.09 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3a1k h THR 126 Cb 0.38 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3a1k h THR 126 CO 0.01 0.13 0.27 0.03 0.37 0.00 0.00 175.52 176.33 3a1k h ARG 127 N 0.56 0.74 -0.26 6.66 3.08 -1.18 -0.04 114.38 123.94 3a1k h ARG 127 Ca 0.15 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.14 3a1k h ARG 127 Cb -0.02 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3a1k h ARG 127 CO -0.03 0.59 0.06 -0.07 -1.07 0.00 0.00 179.97 179.45 3a1k h LEU 128 N 0.70 0.03 -1.14 3.04 4.07 -0.90 -0.64 115.31 120.48 3a1k h LEU 128 Ca 0.18 0.04 -0.08 0.00 0.08 0.00 0.00 57.88 58.10 3a1k h LEU 128 Cb 0.08 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 3a1k h LEU 128 CO -0.03 0.05 -0.25 -0.07 -1.08 0.00 0.00 178.44 177.07 3a1k h LEU 129 N 0.16 0.30 -0.56 1.67 3.38 -1.05 -1.84 115.31 117.36 3a1k h LEU 129 Ca 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3a1k h LEU 129 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3a1k h LEU 129 CO -0.15 0.55 0.00 0.00 0.09 0.00 0.00 178.44 178.93 3a1k h ALA 130 N 1.48 1.00 -0.65 1.53 0.00 -0.26 -0.79 119.26 121.57 3a1k h ALA 130 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a1k h ALA 130 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3a1k h ALA 130 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3a1k n ALA 131 N -1.88 2.44 -0.32 0.00 0.00 -0.32 -4.32 120.51 116.11 3a1k n ALA 131 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.31 3a1k n ALA 131 Cb 0.34 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3a1k n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1k n GLY 132 N 1.50 0.74 3.84 0.00 0.00 -0.21 -0.92 105.19 110.13 3a1k n GLY 132 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3a1k n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1k s ALA 133 N -2.36 3.22 -0.16 4.61 0.00 -0.76 -3.45 121.76 122.86 3a1k s ALA 133 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 3a1k s ALA 133 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3a1k s ALA 133 CO 0.00 0.26 0.05 0.99 0.00 0.00 0.00 175.76 177.06 3a1k s THR 134 N -2.04 4.69 -0.39 0.00 2.01 -0.67 -3.43 115.64 115.82 3a1k s THR 134 Ca 0.57 -0.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.25 3a1k s THR 134 Cb -0.10 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.34 3a1k s THR 134 CO 0.16 0.49 0.87 -0.69 -0.69 0.00 0.00 174.62 174.76 3a1k s VAL 135 N 0.13 4.62 -0.64 3.82 1.01 -0.46 -1.11 120.40 127.77 3a1k s VAL 135 Ca 0.04 0.97 0.25 0.00 0.00 0.00 0.00 61.98 63.24 3a1k s VAL 135 Cb -0.12 -4.31 0.20 0.00 0.00 0.00 0.00 36.38 32.15 3a1k s VAL 135 CO 0.01 -0.56 1.57 0.00 0.00 0.00 0.00 175.10 176.11 3a1k h ALA 136 N 8.61 0.84 0.00 5.51 0.00 -1.25 -2.04 119.26 130.93 3a1k h ALA 136 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3a1k h ALA 136 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3a1k h ALA 136 CO 0.96 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.62 3a1k n GLY 137 N 1.29 -1.18 3.54 0.00 0.00 -1.25 -0.82 105.19 106.76 3a1k n GLY 137 Ca 0.04 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 3a1k n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1k s LYS 138 N -1.89 3.78 -0.14 1.61 -0.14 0.09 -0.72 119.74 122.32 3a1k s LYS 138 Ca 0.00 -0.45 -0.16 0.00 -1.36 0.00 0.00 55.97 54.01 3a1k s LYS 138 Cb 0.00 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 33.00 3a1k s LYS 138 CO 0.00 0.17 0.37 0.00 -0.76 0.00 0.00 175.35 175.12 3a1k s ALA 139 N 0.62 3.54 0.46 5.17 0.00 0.12 -0.64 121.76 131.03 3a1k s ALA 139 Ca 0.01 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 3a1k s ALA 139 Cb -0.14 -2.49 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 3a1k s ALA 139 CO 0.02 0.05 0.97 0.28 0.00 0.00 0.00 175.76 177.08 3a1k n VAL 140 N 3.61 2.61 -4.18 0.00 0.31 -0.04 -0.43 118.33 120.21 3a1k n VAL 140 Ca -0.10 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.62 3a1k n VAL 140 Cb 0.52 -1.12 -0.10 0.00 -0.91 0.00 0.00 33.84 32.22 3a1k n VAL 140 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a1k s GLU 142 N -4.08 1.18 -0.34 0.00 0.41 -0.83 -3.76 118.70 111.29 3a1k s GLU 142 Ca 0.31 1.63 -0.30 0.00 -0.41 0.00 0.00 54.97 56.20 3a1k s GLU 142 Cb 0.07 -1.74 -0.08 0.00 -1.78 0.00 0.00 34.13 30.60 3a1k s GLU 142 CO 0.07 -2.53 2.26 -3.47 -0.49 0.00 0.00 175.26 171.10 3a1k n ASP 143 N -3.95 2.60 -2.72 -0.19 4.64 -1.23 -0.74 116.55 114.96 3a1k n ASP 143 Ca 0.12 0.16 -0.17 0.00 -1.38 0.00 0.00 54.79 53.52 3a1k n ASP 143 Cb 0.51 -1.43 0.00 0.00 -1.04 0.00 0.00 41.12 39.16 3a1k n ASP 143 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3a1k n LEU 144 N 11.68 -1.57 -2.54 -2.67 4.77 -0.64 -2.45 117.00 123.59 3a1k n LEU 144 Ca 0.36 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 56.20 3a1k n LEU 144 Cb 0.37 -2.37 -0.00 0.00 -2.33 0.00 0.00 43.42 39.08 3a1k n LEU 144 CO 0.71 -0.03 -0.12 0.00 -1.33 0.00 0.00 177.39 176.63 3a1k n PHE 146 N -3.28 3.39 -3.64 0.00 3.01 -1.02 -4.77 117.46 111.15 3a1k n PHE 146 Ca -0.11 -3.29 -0.09 0.00 1.01 0.00 0.00 57.45 54.97 3a1k n PHE 146 Cb 0.58 -0.85 -0.07 0.00 -0.01 0.00 0.00 39.48 39.14 3a1k n PHE 146 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3a1k s SER 147 N -2.40 -0.67 0.00 4.37 0.15 -1.26 -4.53 113.70 109.37 3a1k s SER 147 Ca 0.43 1.18 0.28 0.00 0.70 0.00 0.00 55.95 58.55 3a1k s SER 147 Cb 0.23 1.23 1.02 0.00 -1.71 0.00 0.00 66.02 66.79 3a1k s SER 147 CO -0.12 -0.20 1.73 0.61 1.20 0.00 0.00 173.24 176.46 3a1k n GLY 148 N 3.12 -0.15 0.00 9.45 0.00 0.27 -2.67 105.19 115.22 3a1k n GLY 148 Ca -0.16 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3a1k n GLY 148 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3a1k n SER 149 N -0.02 1.22 -0.69 1.61 2.88 -1.21 -0.88 113.62 116.53 3a1k n SER 149 Ca 0.18 -0.80 0.06 0.00 -1.33 0.00 0.00 58.87 56.98 3a1k n SER 149 Cb 0.35 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.96 3a1k n SER 149 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3a1k n SER 150 N -1.42 1.60 -0.55 -3.46 3.41 -1.22 -2.58 113.62 109.40 3a1k n SER 150 Ca 0.00 -3.38 0.05 0.00 -0.26 0.00 0.00 58.87 55.28 3a1k n SER 150 Cb 0.00 -0.46 0.14 0.00 -0.26 0.00 0.00 64.21 63.62 3a1k n SER 150 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3a1k n PHE 151 N -0.82 0.41 1.01 7.33 -1.74 -1.26 -1.40 117.46 120.99 3a1k n PHE 151 Ca 0.16 -0.52 0.11 0.00 -0.56 0.00 0.00 57.45 56.63 3a1k n PHE 151 Cb 0.77 -0.05 -0.04 0.00 1.52 0.00 0.00 39.48 41.69 3a1k n PHE 151 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 3a1k n THR 152 N 0.29 0.00 -1.83 1.97 -2.24 -1.26 -4.70 114.28 106.51 3a1k n THR 152 Ca 0.10 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 3a1k n THR 152 Cb 0.43 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 3a1k n THR 152 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3a1k s PRO 153 N -2.79 4.15 0.61 -0.78 0.02 -1.26 -3.68 135.00 131.27 3a1k s PRO 153 Ca 0.13 2.52 0.38 0.00 0.02 0.00 0.00 61.00 64.04 3a1k s PRO 153 Cb 0.17 -3.04 2.00 0.00 0.02 0.00 0.00 34.50 33.65 3a1k s PRO 153 CO 0.74 -0.58 2.24 0.00 -0.33 0.00 0.00 177.00 179.06 3a1k h ALA 154 N 4.86 1.11 -0.12 -1.55 0.00 -1.65 -1.24 119.26 120.66 3a1k h ALA 154 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3a1k h ALA 154 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3a1k h ALA 154 CO 0.79 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.93 3a1k n SER 155 N -3.27 1.38 0.00 0.00 3.41 -1.26 -5.03 113.62 108.86 3a1k n SER 155 Ca -0.02 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 3a1k n SER 155 Cb 0.14 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3a1k n SER 155 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a1k n GLY 156 N 1.08 2.79 3.74 5.00 0.00 -0.47 -5.03 105.19 112.31 3a1k n GLY 156 Ca 0.16 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 3a1k n GLY 156 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a1k s PRO 157 N -3.28 4.29 0.08 1.61 0.04 -1.26 -4.47 135.00 132.01 3a1k s PRO 157 Ca 0.00 2.26 -0.30 0.00 0.04 0.00 0.00 61.00 63.00 3a1k s PRO 157 Cb 0.00 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 3a1k s PRO 157 CO 0.00 -0.39 0.96 0.08 0.04 0.00 0.00 177.00 177.69 3a1k s VAL 158 N 0.01 4.61 -0.12 -0.36 1.01 -0.50 -4.73 120.40 120.32 3a1k s VAL 158 Ca 0.59 2.06 -0.08 0.00 0.00 0.00 0.00 61.98 64.55 3a1k s VAL 158 Cb -0.41 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 3a1k s VAL 158 CO 0.42 0.27 0.16 -0.13 0.00 0.00 0.00 175.10 175.83 3a1k s ARG 159 N 0.28 3.54 0.03 2.72 0.52 -0.52 -3.79 118.95 121.74 3a1k s ARG 159 Ca 0.48 -0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 55.30 3a1k s ARG 159 Cb -0.23 -3.21 -0.06 0.00 0.52 0.00 0.00 34.95 31.97 3a1k s ARG 159 CO 0.29 0.73 1.42 1.21 0.02 0.00 0.00 175.30 178.97 3a1k s ASN 160 N -0.92 6.83 0.55 0.23 3.84 -0.95 -4.76 114.94 119.76 3a1k s ASN 160 Ca 0.15 2.19 0.37 0.00 0.21 0.00 0.00 52.86 55.78 3a1k s ASN 160 Cb -0.12 -2.57 1.82 0.00 -0.55 0.00 0.00 41.25 39.83 3a1k s ASN 160 CO 0.04 -0.71 2.11 1.55 -2.79 0.00 0.00 177.10 177.30 3a1k h PRO 161 N 7.63 0.00 0.00 0.43 0.13 -1.92 -1.60 132.00 136.67 3a1k h PRO 161 Ca -0.39 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 3a1k h PRO 161 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3a1k h PRO 161 CO 0.89 0.00 -0.22 -1.49 -0.23 0.00 0.00 178.00 176.95 3a1k h TRP 162 N 0.00 0.00 -0.48 1.56 4.06 -1.90 -3.43 115.95 115.76 3a1k h TRP 162 Ca 0.00 0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.11 3a1k h TRP 162 Cb 0.19 0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 28.16 3a1k h TRP 162 CO 0.00 0.22 -0.11 0.34 -3.56 0.00 0.00 178.44 175.33 3a1k s ASP 163 N -6.24 -0.78 0.00 -3.49 -1.08 -0.65 -5.04 116.67 99.39 3a1k s ASP 163 Ca 0.04 0.11 0.01 0.00 -0.52 0.00 0.00 52.55 52.19 3a1k s ASP 163 Cb 0.07 1.50 0.03 0.00 -1.46 0.00 0.00 42.92 43.07 3a1k s ASP 163 CO 0.68 -0.14 0.67 0.54 0.52 0.00 0.00 175.17 177.43 3a1k n ARG 164 N 5.22 0.01 0.00 4.34 1.74 -0.90 -0.32 116.66 126.76 3a1k n ARG 164 Ca 0.07 0.14 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 3a1k n ARG 164 Cb 0.56 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.51 3a1k n ARG 164 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3a1k n GLN 165 N -1.14 1.25 -4.01 5.56 1.13 -1.26 -4.66 117.38 114.24 3a1k n GLN 165 Ca 0.00 -1.03 -0.22 0.00 -1.94 0.00 0.00 57.00 53.81 3a1k n GLN 165 Cb 0.00 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.83 3a1k n GLN 165 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3a1k s ARG 166 N -2.46 2.64 0.34 -1.09 0.52 0.56 -0.95 118.95 118.52 3a1k s ARG 166 Ca 0.19 -1.31 -0.27 0.00 -0.52 0.00 0.00 55.73 53.82 3a1k s ARG 166 Cb 0.18 -2.39 -0.09 0.00 0.52 0.00 0.00 34.95 33.17 3a1k s ARG 166 CO 0.56 0.21 1.15 -1.83 0.02 0.00 0.00 175.30 175.41 3a1k s GLU 167 N -3.89 4.36 0.00 3.54 -1.05 0.60 -2.23 118.70 120.04 3a1k s GLU 167 Ca 0.37 1.86 0.26 0.00 -0.15 0.00 0.00 54.97 57.31 3a1k s GLU 167 Cb -0.06 -2.94 0.64 0.00 -0.44 0.00 0.00 34.13 31.34 3a1k s GLU 167 CO 0.24 -0.06 1.51 0.00 0.95 0.00 0.00 175.26 177.90 3a1k n ALA 168 N 0.64 3.33 0.00 -0.84 0.00 -1.25 -4.47 120.51 117.92 3a1k n ALA 168 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3a1k n ALA 168 Cb 0.45 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3a1k n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1k n GLY 169 N 1.47 0.30 3.55 0.00 0.00 -1.26 -4.36 105.19 104.89 3a1k n GLY 169 Ca 0.07 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 3a1k n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a1k s GLY 170 N -1.23 -0.45 0.15 -0.02 0.00 -0.06 -3.45 107.32 102.25 3a1k s GLY 170 Ca 0.00 1.68 0.16 0.00 0.00 0.00 0.00 44.72 46.57 3a1k s GLY 170 CO 0.00 1.09 1.06 0.23 0.00 0.00 0.00 173.10 175.47 3a1k h SER 171 N 3.05 0.00 -0.02 1.64 0.87 -1.59 -3.39 113.55 114.11 3a1k h SER 171 Ca -0.24 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 3a1k h SER 171 Cb 1.15 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 3a1k h SER 171 CO 0.32 0.52 0.01 -1.20 -0.53 0.00 0.00 176.83 175.96 3a1k n SER 172 N -3.00 4.01 -0.04 6.23 7.64 -1.12 -1.96 113.62 125.39 3a1k n SER 172 Ca -0.05 -2.20 -0.09 0.00 1.01 0.00 0.00 58.87 57.55 3a1k n SER 172 Cb 0.79 -0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 3a1k n SER 172 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3a1k h GLY 173 N 3.55 0.19 0.69 0.23 0.00 -1.75 -2.24 103.07 103.73 3a1k h GLY 173 Ca 0.01 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.39 3a1k h GLY 173 CO 0.02 -0.02 0.15 -1.33 0.00 0.00 0.00 176.54 175.36 3a1k h GLY 174 N 0.08 0.52 0.53 4.60 0.00 -1.63 -0.65 103.07 106.51 3a1k h GLY 174 Ca 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.34 3a1k h GLY 174 CO -0.13 0.04 -0.28 1.76 0.00 0.00 0.00 176.54 177.93 3a1k h SER 175 N 0.32 -0.80 -0.51 0.19 0.02 -1.66 -1.16 113.55 109.96 3a1k h SER 175 Ca 0.18 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.27 3a1k h SER 175 Cb 0.14 0.30 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 3a1k h SER 175 CO -0.17 -0.38 0.26 0.00 -1.14 0.00 0.00 176.83 175.40 3a1k h ALA 176 N 0.19 0.65 0.16 3.77 0.00 -1.19 -1.56 119.26 121.27 3a1k h ALA 176 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3a1k h ALA 176 Cb 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3a1k h ALA 176 CO -0.15 -0.09 -0.22 0.00 0.00 0.00 0.00 179.25 178.78 3a1k h ALA 177 N 1.28 -0.41 -0.86 0.00 0.00 -0.84 0.20 119.26 118.63 3a1k h ALA 177 Ca 0.23 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3a1k h ALA 177 Cb 0.14 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3a1k h ALA 177 CO -0.16 -0.77 0.56 -0.07 0.00 0.00 0.00 179.25 178.81 3a1k h LEU 178 N -0.44 0.84 -0.12 0.00 3.38 -1.00 0.27 115.31 118.24 3a1k h LEU 178 Ca 0.02 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3a1k h LEU 178 Cb 0.44 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3a1k h LEU 178 CO -0.10 0.54 -0.25 0.58 0.09 0.00 0.00 178.44 179.30 3a1k h VAL 179 N 0.95 1.38 -0.28 1.22 2.07 -0.78 0.44 116.25 121.26 3a1k h VAL 179 Ca 0.37 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.28 3a1k h VAL 179 Cb 0.22 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3a1k h VAL 179 CO -0.14 0.45 -0.19 0.00 0.02 0.00 0.00 177.57 177.71 3a1k h ALA 180 N 0.53 1.17 0.00 1.67 0.00 -0.16 -2.41 119.26 120.06 3a1k h ALA 180 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3a1k h ALA 180 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3a1k h ALA 180 CO 0.06 0.53 0.00 -1.71 0.00 0.00 0.00 179.25 178.12 3a1k n ASN 181 N -4.16 0.00 0.00 0.00 5.15 0.92 -4.60 115.26 112.57 3a1k n ASN 181 Ca 0.00 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 3a1k n ASN 181 Cb 0.36 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 3a1k n ASN 181 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3a1k n GLY 182 N 1.16 0.65 0.20 8.20 0.00 -0.91 -4.94 105.19 109.56 3a1k n GLY 182 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 3a1k n GLY 182 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a1k h ASP 183 N 0.00 0.00 -5.27 1.61 5.19 -1.16 -3.45 116.42 113.34 3a1k h ASP 183 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 3a1k h ASP 183 Cb 0.00 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.36 3a1k h ASP 183 CO 0.00 0.33 -0.63 0.68 -3.12 0.00 0.00 179.24 176.51 3a1k s VAL 184 N -4.12 0.18 0.01 -1.35 -7.23 -1.16 -5.03 120.40 101.70 3a1k s VAL 184 Ca -0.02 -1.74 -0.22 0.00 -1.81 0.00 0.00 61.98 58.18 3a1k s VAL 184 Cb 0.14 -1.61 -0.18 0.00 0.56 0.00 0.00 36.38 35.28 3a1k s VAL 184 CO 0.70 -0.83 1.22 0.44 -0.31 0.00 0.00 175.10 176.32 3a1k h ASP 185 N 3.03 0.34 -5.34 4.85 3.32 -1.71 -3.41 116.42 117.50 3a1k h ASP 185 Ca -0.34 -0.60 -0.19 0.00 0.02 0.00 0.00 57.03 55.92 3a1k h ASP 185 Cb 1.16 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 3a1k h ASP 185 CO 0.63 0.87 -0.02 0.72 -1.72 0.00 0.00 179.24 179.73 3a1k s PHE 186 N -3.84 0.74 0.11 4.55 -0.12 -1.13 -4.28 117.98 114.00 3a1k s PHE 186 Ca -0.15 -1.13 -0.14 0.00 -0.05 0.00 0.00 56.93 55.46 3a1k s PHE 186 Cb 0.04 0.26 0.02 0.00 -0.63 0.00 0.00 43.02 42.71 3a1k s PHE 186 CO 0.75 -1.31 0.34 0.00 -0.05 0.00 0.00 175.22 174.95 3a1k s ALA 187 N -2.72 -0.74 -0.18 1.99 0.00 -0.36 -1.30 121.76 118.45 3a1k s ALA 187 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 3a1k s ALA 187 Cb -0.02 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 3a1k s ALA 187 CO 0.18 -0.59 0.09 0.42 0.00 0.00 0.00 175.76 175.86 3a1k s ILE 188 N -3.68 5.08 0.31 0.00 -1.09 -0.82 -0.91 121.20 120.09 3a1k s ILE 188 Ca 0.03 0.07 0.05 0.00 -2.23 0.00 0.00 60.65 58.56 3a1k s ILE 188 Cb 0.02 -3.29 -0.06 0.00 -1.58 0.00 0.00 42.46 37.55 3a1k s ILE 188 CO -0.11 0.47 0.01 -0.83 -1.23 0.00 0.00 174.94 173.25 3a1k s GLY 189 N 0.23 2.01 0.14 6.18 0.00 0.11 -2.10 107.32 113.88 3a1k s GLY 189 Ca 0.06 -2.02 0.09 0.00 0.00 0.00 0.00 44.72 42.86 3a1k s GLY 189 CO -0.00 -1.85 -0.19 -0.32 0.00 0.00 0.00 173.10 170.74 3a1k s GLY 190 N -3.49 1.69 -0.12 0.20 0.00 -1.26 -1.31 107.32 103.02 3a1k s GLY 190 Ca 0.33 -1.41 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 3a1k s GLY 190 CO 0.14 -1.40 0.10 -0.35 0.00 0.00 0.00 173.10 171.59 3a1k s ASP 191 N -2.29 1.71 -0.07 1.64 -1.08 0.13 -2.91 116.67 113.81 3a1k s ASP 191 Ca 0.19 -0.26 0.04 0.00 -0.52 0.00 0.00 52.55 52.00 3a1k s ASP 191 Cb -0.10 -0.10 -0.07 0.00 -1.46 0.00 0.00 42.92 41.19 3a1k s ASP 191 CO 0.10 -0.31 -0.00 0.00 0.52 0.00 0.00 175.17 175.48 3a1k n GLN 192 N 5.29 2.20 -0.10 4.34 3.00 -1.26 -2.11 117.38 128.74 3a1k n GLN 192 Ca -0.05 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3a1k n GLN 192 Cb 0.49 -1.16 0.00 0.00 0.00 0.00 0.00 30.24 29.57 3a1k n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3a1k n GLY 193 N 2.75 -2.25 0.00 1.08 0.00 -1.26 -4.74 105.19 100.77 3a1k n GLY 193 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3a1k n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1k n GLY 194 N 0.00 0.33 0.27 -0.02 0.00 -1.26 -2.57 105.19 101.94 3a1k n GLY 194 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3a1k n GLY 194 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3a1k h SER 195 N 0.00 0.00 0.01 1.61 0.02 -1.75 0.40 113.55 113.83 3a1k h SER 195 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 3a1k h SER 195 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 3a1k h SER 195 CO 0.00 0.00 -2.25 -0.38 -1.14 0.00 0.00 176.83 173.06 3a1k n ILE 196 N -2.54 1.54 -0.09 3.27 5.41 -1.14 -2.77 119.36 123.04 3a1k n ILE 196 Ca -0.01 -0.37 -0.14 0.00 1.00 0.00 0.00 62.75 63.22 3a1k n ILE 196 Cb 0.44 -1.81 -0.04 0.00 -0.71 0.00 0.00 39.64 37.51 3a1k n ILE 196 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3a1k h ARG 197 N -0.74 0.79 0.40 0.38 3.08 -1.53 -3.05 114.38 113.72 3a1k h ARG 197 Ca -0.60 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 58.97 3a1k h ARG 197 Cb 1.64 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.73 3a1k h ARG 197 CO -0.29 1.10 -0.22 0.82 -1.07 0.00 0.00 179.97 180.31 3a1k h ILE 198 N 0.55 0.54 -0.21 2.04 2.04 -0.52 -0.87 117.51 121.09 3a1k h ILE 198 Ca 0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 3a1k h ILE 198 Cb 1.02 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3a1k h ILE 198 CO 0.10 0.00 -0.23 1.55 0.00 0.00 0.00 178.15 179.57 3a1k h PRO 199 N -0.58 0.37 -0.36 2.37 0.13 -1.77 -1.25 132.00 130.90 3a1k h PRO 199 Ca -0.05 -0.12 0.01 0.00 -0.87 0.00 0.00 66.00 64.97 3a1k h PRO 199 Cb 0.46 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 3a1k h PRO 199 CO 0.07 0.58 0.22 0.00 -0.23 0.00 0.00 178.00 178.64 3a1k h ALA 200 N 1.43 0.46 0.26 -0.56 0.00 -1.41 0.02 119.26 119.46 3a1k h ALA 200 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3a1k h ALA 200 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3a1k h ALA 200 CO 0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 179.25 179.05 3a1k h ALA 201 N 1.15 -0.35 -0.85 0.00 0.00 -0.78 0.21 119.26 118.63 3a1k h ALA 201 Ca 0.14 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3a1k h ALA 201 Cb -0.02 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3a1k h ALA 201 CO -0.05 -0.67 0.56 0.74 0.00 0.00 0.00 179.25 179.82 3a1k h PHE 202 N -0.41 0.97 -0.01 0.00 0.05 -1.04 -2.30 116.94 114.19 3a1k h PHE 202 Ca -0.04 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.78 3a1k h PHE 202 Cb 0.31 -0.32 0.00 0.00 2.00 0.00 0.00 35.95 37.94 3a1k h PHE 202 CO -0.04 0.51 -0.19 0.00 -0.18 0.00 0.00 178.31 178.41 3a1k n GLY 204 N 1.31 0.25 3.02 0.00 0.00 0.32 -4.85 105.19 105.23 3a1k n GLY 204 Ca 0.14 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 3a1k n GLY 204 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a1k n VAL 205 N -3.05 0.00 -3.56 1.61 0.24 0.48 -4.82 118.33 109.24 3a1k n VAL 205 Ca -0.04 -2.17 -0.38 0.00 -2.04 0.00 0.00 64.34 59.71 3a1k n VAL 205 Cb 0.54 0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 33.70 3a1k n VAL 205 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3a1k s VAL 206 N -3.01 5.17 -0.03 3.34 1.01 0.19 -4.21 120.40 122.86 3a1k s VAL 206 Ca 0.23 0.69 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 3a1k s VAL 206 Cb 0.01 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.77 3a1k s VAL 206 CO 0.16 0.53 0.03 -0.83 0.00 0.00 0.00 175.10 174.99 3a1k s GLY 207 N -0.65 0.22 -0.17 4.51 0.00 -0.88 -0.49 107.32 109.87 3a1k s GLY 207 Ca 0.21 0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.12 3a1k s GLY 207 CO 0.10 0.91 -0.17 -1.58 0.00 0.00 0.00 173.10 172.36 3a1k s HIS 208 N 1.46 2.53 -0.49 1.90 2.46 -0.70 -0.69 115.29 121.76 3a1k s HIS 208 Ca -0.04 -1.50 -0.19 0.00 0.47 0.00 0.00 55.06 53.81 3a1k s HIS 208 Cb -0.13 -1.78 0.05 0.00 -0.13 0.00 0.00 32.58 30.60 3a1k s HIS 208 CO -0.03 -0.75 0.59 0.21 -2.47 0.00 0.00 174.74 172.29 3a1k s LYS 209 N 1.37 3.12 1.18 2.88 2.20 -0.00 -3.69 119.74 126.79 3a1k s LYS 209 Ca 0.04 -0.89 -0.15 0.00 -0.36 0.00 0.00 55.97 54.61 3a1k s LYS 209 Cb -0.13 -4.08 0.28 0.00 -1.51 0.00 0.00 37.83 32.38 3a1k s LYS 209 CO -0.12 -1.16 1.04 -2.14 -0.36 0.00 0.00 175.35 172.61 3a1k s PRO 210 N 2.52 -1.04 0.37 4.03 0.02 -1.26 -0.82 135.00 138.82 3a1k s PRO 210 Ca 0.14 0.47 -0.28 0.00 0.02 0.00 0.00 61.00 61.36 3a1k s PRO 210 Cb -0.19 -1.57 -0.11 0.00 0.02 0.00 0.00 34.50 32.65 3a1k s PRO 210 CO 0.12 -3.71 1.37 2.41 -0.33 0.00 0.00 177.00 176.86 3a1k n THR 211 N -4.85 2.09 -1.65 0.99 -1.04 -1.26 -4.49 114.28 104.07 3a1k n THR 211 Ca 0.06 -0.50 -0.47 0.00 -2.04 0.00 0.00 64.05 61.11 3a1k n THR 211 Cb 0.57 -1.74 -0.04 0.00 -1.82 0.00 0.00 70.33 67.30 3a1k n THR 211 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3a1k n PHE 212 N 0.29 2.11 -0.32 -1.42 7.35 -0.38 -1.77 117.46 123.32 3a1k n PHE 212 Ca 0.04 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 3a1k n PHE 212 Cb 0.38 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.72 3a1k n PHE 212 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3a1k n GLY 213 N 2.97 1.62 0.08 7.13 0.00 -1.26 -4.91 105.19 110.81 3a1k n GLY 213 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3a1k n GLY 213 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a1k h LEU 214 N 0.00 -0.06 -9.28 0.99 5.85 -1.70 -3.40 115.31 107.71 3a1k h LEU 214 Ca 0.00 -0.54 -0.59 0.00 0.84 0.00 0.00 57.88 57.59 3a1k h LEU 214 Cb 0.00 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 3a1k h LEU 214 CO 0.00 0.54 -0.31 -0.69 -0.34 0.00 0.00 178.44 177.64 3a1k s VAL 215 N -3.65 5.29 0.17 1.05 1.01 -1.26 -0.99 120.40 122.02 3a1k s VAL 215 Ca -0.16 0.58 -0.31 0.00 0.00 0.00 0.00 61.98 62.10 3a1k s VAL 215 Cb 0.00 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 3a1k s VAL 215 CO 0.62 0.37 1.45 -2.16 0.00 0.00 0.00 175.10 175.38 3a1k s PRO 216 N 0.59 4.28 0.00 2.72 0.04 -1.26 -4.68 135.00 136.69 3a1k s PRO 216 Ca 0.17 2.22 0.27 0.00 0.04 0.00 0.00 61.00 63.70 3a1k s PRO 216 Cb -0.13 -3.18 0.86 0.00 0.04 0.00 0.00 34.50 32.09 3a1k s PRO 216 CO 0.05 -0.47 1.64 0.98 0.04 0.00 0.00 177.00 179.24 3a1k n TYR 217 N 3.45 0.00 -1.71 0.56 9.36 -1.26 -4.63 117.16 122.92 3a1k n TYR 217 Ca 0.11 0.00 -0.63 0.00 3.32 0.00 0.00 57.90 60.70 3a1k n TYR 217 Cb 0.41 -0.26 -0.09 0.00 -0.63 0.00 0.00 39.34 38.77 3a1k n TYR 217 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 3a1k n THR 218 N -1.24 0.12 -0.02 2.97 -1.04 -1.26 -0.79 114.28 113.02 3a1k n THR 218 Ca 0.09 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3a1k n THR 218 Cb 0.32 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 3a1k n THR 218 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a1k n GLY 219 N 3.86 0.36 3.91 3.41 0.00 -1.26 -2.45 105.19 113.02 3a1k n GLY 219 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 3a1k n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1k s ALA 220 N -2.12 3.91 -0.30 4.61 0.00 0.03 -1.15 121.76 126.73 3a1k s ALA 220 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 3a1k s ALA 220 Cb 0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 3a1k s ALA 220 CO 0.00 0.75 1.72 0.12 0.00 0.00 0.00 175.76 178.35 3a1k s PHE 221 N -1.55 1.93 0.45 0.00 5.36 0.12 -4.97 117.98 119.31 3a1k s PHE 221 Ca 0.37 0.59 -0.25 0.00 -0.96 0.00 0.00 56.93 56.68 3a1k s PHE 221 Cb -0.13 -4.11 -0.08 0.00 -0.34 0.00 0.00 43.02 38.37 3a1k s PHE 221 CO 0.26 -2.91 1.32 -2.14 -1.46 0.00 0.00 175.22 170.29 3a1k s PRO 222 N 5.32 3.74 0.02 10.12 0.02 -1.26 -4.97 135.00 147.99 3a1k s PRO 222 Ca 0.76 2.18 -0.05 0.00 0.02 0.00 0.00 61.00 63.91 3a1k s PRO 222 Cb -0.23 -2.61 -0.02 0.00 0.02 0.00 0.00 34.50 31.67 3a1k s PRO 222 CO 0.33 -0.69 -0.09 -0.89 -0.33 0.00 0.00 177.00 175.33 3a1k n ILE 223 N -0.21 1.26 -3.54 2.83 5.41 -1.26 -4.66 119.36 119.19 3a1k n ILE 223 Ca 0.06 0.33 -0.18 0.00 1.00 0.00 0.00 62.75 63.96 3a1k n ILE 223 Cb 0.44 -1.77 -0.13 0.00 -0.71 0.00 0.00 39.64 37.47 3a1k n ILE 223 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3a1k s GLU 224 N -2.20 0.16 0.27 0.38 -6.30 -1.26 -3.36 118.70 106.39 3a1k s GLU 224 Ca -0.08 0.31 -0.09 0.00 -2.50 0.00 0.00 54.97 52.61 3a1k s GLU 224 Cb 0.01 -0.97 0.42 0.00 0.00 0.00 0.00 34.13 33.60 3a1k s GLU 224 CO 0.11 -0.57 1.57 -0.09 0.02 0.00 0.00 175.26 176.30 3a1k h ARG 225 N 8.32 -0.00 0.00 4.30 2.43 -1.94 -0.53 114.38 126.96 3a1k h ARG 225 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3a1k h ARG 225 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3a1k h ARG 225 CO 0.25 -0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.96 3a1k n THR 226 N -5.60 0.50 -0.32 0.20 -2.24 -1.26 -3.23 114.28 102.33 3a1k n THR 226 Ca 0.15 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 3a1k n THR 226 Cb 0.48 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 3a1k n THR 226 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3a1k n ILE 227 N -1.26 0.06 -2.30 2.28 -5.35 -0.24 -4.81 119.36 107.74 3a1k n ILE 227 Ca 0.08 -0.37 -0.42 0.00 -0.27 0.00 0.00 62.75 61.77 3a1k n ILE 227 Cb 0.12 1.26 -0.03 0.00 -1.74 0.00 0.00 39.64 39.25 3a1k n ILE 227 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 3a1k s ASP 228 N -0.06 6.93 0.04 7.28 1.01 -1.00 -4.28 116.67 126.58 3a1k s ASP 228 Ca 0.00 2.05 0.02 0.00 0.71 0.00 0.00 52.55 55.34 3a1k s ASP 228 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 3a1k s ASP 228 CO 0.00 -0.65 -0.08 -1.00 0.21 0.00 0.00 175.17 173.66 3a1k s HIS 229 N 2.03 0.66 0.05 4.23 3.76 -0.90 -4.77 115.29 120.35 3a1k s HIS 229 Ca 0.61 -0.46 0.08 0.00 -0.15 0.00 0.00 55.06 55.14 3a1k s HIS 229 Cb -0.30 -0.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.96 3a1k s HIS 229 CO 0.26 -0.07 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.35 3a1k s LEU 230 N -1.45 2.18 0.19 0.89 1.43 -1.26 -0.69 118.68 119.97 3a1k s LEU 230 Ca -0.09 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 52.23 3a1k s LEU 230 Cb -0.09 -1.03 0.06 0.00 0.03 0.00 0.00 46.19 45.16 3a1k s LEU 230 CO 0.00 0.17 0.95 -0.83 0.23 0.00 0.00 176.35 176.87 3a1k s GLY 231 N -1.26 -0.09 0.24 -3.19 0.00 -0.43 -4.48 107.32 98.11 3a1k s GLY 231 Ca 0.08 -0.09 -0.15 0.00 0.00 0.00 0.00 44.72 44.56 3a1k s GLY 231 CO 0.02 0.52 0.65 2.56 0.00 0.00 0.00 173.10 176.85 3a1k s PRO 232 N -2.99 4.03 -0.16 2.90 0.04 -1.24 -0.72 135.00 136.86 3a1k s PRO 232 Ca 0.15 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.80 3a1k s PRO 232 Cb -0.02 -2.71 0.02 0.00 0.04 0.00 0.00 34.50 31.83 3a1k s PRO 232 CO 0.04 0.33 -0.15 0.42 0.04 0.00 0.00 177.00 177.68 3a1k s ILE 233 N -1.70 1.65 0.29 0.56 1.01 -0.09 -1.72 121.20 121.19 3a1k s ILE 233 Ca 0.46 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3a1k s ILE 233 Cb -0.13 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3a1k s ILE 233 CO 0.19 0.45 0.27 0.42 0.00 0.00 0.00 174.94 176.27 3a1k s THR 234 N 1.45 0.00 -0.09 2.92 -4.23 0.36 -1.23 115.64 114.83 3a1k s THR 234 Ca 0.05 -1.91 0.14 0.00 -1.18 0.00 0.00 61.69 58.78 3a1k s THR 234 Cb -0.13 -2.51 -0.06 0.00 1.34 0.00 0.00 72.50 71.14 3a1k s THR 234 CO -0.11 0.00 1.19 -0.09 -0.54 0.00 0.00 174.62 175.07 3a1k h ARG 235 N 2.30 0.00 -4.75 3.99 2.43 -1.84 0.53 114.38 117.04 3a1k h ARG 235 Ca -0.29 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.62 3a1k h ARG 235 Cb 1.24 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.64 3a1k h ARG 235 CO 0.42 0.53 -0.68 0.95 -1.51 0.00 0.00 179.97 179.68 3a1k s THR 236 N -2.88 0.71 0.18 0.20 -4.23 -1.26 -4.45 115.64 103.90 3a1k s THR 236 Ca 0.01 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 3a1k s THR 236 Cb 0.08 -1.91 0.07 0.00 1.34 0.00 0.00 72.50 72.08 3a1k s THR 236 CO 0.78 -0.67 1.66 0.58 -0.54 0.00 0.00 174.62 176.44 3a1k h VAL 237 N 2.82 1.26 -0.64 2.29 2.07 -1.93 -2.54 116.25 119.58 3a1k h VAL 237 Ca -0.36 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.18 3a1k h VAL 237 Cb 1.19 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3a1k h VAL 237 CO 0.64 0.38 0.35 -0.74 0.02 0.00 0.00 177.57 178.22 3a1k h HIS 238 N 0.93 0.64 -0.28 1.57 -0.00 -1.96 0.01 115.15 116.05 3a1k h HIS 238 Ca 0.18 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.53 3a1k h HIS 238 Cb 0.46 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.66 3a1k h HIS 238 CO 0.03 0.30 -0.04 -0.44 -0.00 0.00 0.00 177.93 177.78 3a1k h ASP 239 N 0.65 0.41 -0.33 3.26 3.32 -1.93 -0.22 116.42 121.58 3a1k h ASP 239 Ca 0.29 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 3a1k h ASP 239 Cb 0.19 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3a1k h ASP 239 CO -0.18 0.51 -0.03 0.00 -1.72 0.00 0.00 179.24 177.82 3a1k h ALA 240 N 1.54 0.44 -0.62 3.45 0.00 -0.76 -0.09 119.26 123.23 3a1k h ALA 240 Ca 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3a1k h ALA 240 Cb 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3a1k h ALA 240 CO 0.01 0.23 0.21 0.00 0.00 0.00 0.00 179.25 179.70 3a1k h ALA 241 N 0.83 0.81 -0.20 0.00 0.00 -0.70 -0.77 119.26 119.24 3a1k h ALA 241 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3a1k h ALA 241 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3a1k h ALA 241 CO 0.02 0.47 0.08 1.25 0.00 0.00 0.00 179.25 181.07 3a1k h LEU 242 N 0.88 0.27 -0.91 0.00 5.85 -0.88 -0.96 115.31 119.56 3a1k h LEU 242 Ca 0.20 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3a1k h LEU 242 Cb 0.27 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3a1k h LEU 242 CO -0.01 0.36 0.27 -0.03 -0.34 0.00 0.00 178.44 178.69 3a1k h MET 243 N 0.16 1.06 -0.11 1.25 4.05 -0.90 -2.06 114.93 118.39 3a1k h MET 243 Ca 0.07 -0.19 -0.06 0.00 -0.28 0.00 0.00 59.70 59.23 3a1k h MET 243 Cb 0.17 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 3a1k h MET 243 CO -0.01 0.87 -0.20 1.25 0.23 0.00 0.00 176.91 179.05 3a1k h LEU 244 N 1.03 0.18 -1.56 3.39 5.85 -0.85 -1.05 115.31 122.30 3a1k h LEU 244 Ca 0.24 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3a1k h LEU 244 Cb 0.22 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3a1k h LEU 244 CO -0.02 0.40 -0.08 0.77 -0.34 0.00 0.00 178.44 179.18 3a1k h SER 245 N 0.17 0.00 0.15 1.25 4.64 -0.45 -1.20 113.55 118.11 3a1k h SER 245 Ca 0.03 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.99 3a1k h SER 245 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3a1k h SER 245 CO 0.03 0.08 -2.00 0.52 -0.87 0.00 0.00 176.83 174.59 3a1k n VAL 246 N -3.24 1.76 0.37 0.95 0.31 -0.53 -4.51 118.33 113.44 3a1k n VAL 246 Ca -0.00 -0.67 0.11 0.00 -0.01 0.00 0.00 64.34 63.78 3a1k n VAL 246 Cb 0.31 -1.67 0.01 0.00 -0.91 0.00 0.00 33.84 31.58 3a1k n VAL 246 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3a1k n ILE 247 N -3.44 0.30 -1.97 2.52 -5.35 -0.51 -4.80 119.36 106.10 3a1k n ILE 247 Ca -0.31 -0.36 -0.34 0.00 -0.27 0.00 0.00 62.75 61.46 3a1k n ILE 247 Cb 1.05 -0.02 0.03 0.00 -1.74 0.00 0.00 39.64 38.96 3a1k n ILE 247 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a1k s ALA 248 N -3.28 2.56 0.00 -1.28 0.00 -0.46 -4.40 121.76 114.90 3a1k s ALA 248 Ca 0.01 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3a1k s ALA 248 Cb 0.13 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3a1k s ALA 248 CO 0.80 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3a1k n GLY 249 N -0.20 3.47 3.75 0.00 0.00 -0.16 -4.80 105.19 107.25 3a1k n GLY 249 Ca 0.11 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 3a1k n GLY 249 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1k s ARG 250 N -4.48 3.21 0.00 1.61 0.52 -1.26 -4.22 118.95 114.33 3a1k s ARG 250 Ca 0.00 2.13 0.00 0.00 -0.52 0.00 0.00 55.73 57.34 3a1k s ARG 250 Cb 0.00 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.22 3a1k s ARG 250 CO 0.00 -1.10 0.29 -0.40 0.02 0.00 0.00 175.30 174.11 3a1k n ASP 251 N -1.00 0.58 0.00 0.23 3.85 -1.26 -5.01 116.55 113.94 3a1k n ASP 251 Ca 0.10 -0.83 0.00 0.00 -0.71 0.00 0.00 54.79 53.36 3a1k n ASP 251 Cb 0.46 0.25 0.00 0.00 -1.35 0.00 0.00 41.12 40.48 3a1k n ASP 251 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3a1k n GLY 252 N 0.25 0.56 0.01 6.12 0.00 -1.26 -4.83 105.19 106.04 3a1k n GLY 252 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a1k n GLY 252 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a1k n ASN 253 N -0.13 0.37 -4.28 1.61 5.03 -1.26 -4.90 115.26 111.70 3a1k n ASN 253 Ca 0.00 -0.69 -0.37 0.00 0.87 0.00 0.00 54.58 54.40 3a1k n ASN 253 Cb 0.06 0.68 -0.13 0.00 -1.02 0.00 0.00 39.78 39.38 3a1k n ASN 253 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3a1k s ASP 254 N -0.77 5.04 0.28 6.41 -1.08 -1.26 -1.59 116.67 123.70 3a1k s ASP 254 Ca 0.01 -0.94 0.21 0.00 -0.52 0.00 0.00 52.55 51.30 3a1k s ASP 254 Cb 0.01 -1.83 1.04 0.00 -1.46 0.00 0.00 42.92 40.68 3a1k s ASP 254 CO 0.03 -0.24 1.63 -0.81 0.52 0.00 0.00 175.17 176.30 3a1k n PRO 255 N 4.79 0.14 0.20 4.34 -0.04 -1.25 -1.89 135.00 141.29 3a1k n PRO 255 Ca -0.14 0.57 0.08 0.00 -0.04 0.00 0.00 63.50 63.97 3a1k n PRO 255 Cb 0.46 -1.90 0.29 0.00 -0.04 0.00 0.00 33.50 32.31 3a1k n PRO 255 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a1k h ARG 256 N 0.00 0.00 -5.98 0.54 3.08 -1.93 -3.43 114.38 106.66 3a1k h ARG 256 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3a1k h ARG 256 Cb 0.10 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 3a1k h ARG 256 CO 0.00 0.29 0.53 -0.65 -1.07 0.00 0.00 179.97 179.07 3a1k s GLN 257 N -3.37 3.86 0.73 0.04 -0.21 -0.79 -4.49 119.66 115.42 3a1k s GLN 257 Ca 0.02 0.56 -0.13 0.00 0.02 0.00 0.00 55.36 55.84 3a1k s GLN 257 Cb 0.09 -3.79 0.03 0.00 1.00 0.00 0.00 33.01 30.35 3a1k s GLN 257 CO 0.67 -0.87 1.11 0.00 -2.12 0.00 0.00 175.29 174.08 3a1k s ALA 258 N 3.31 2.31 0.51 6.09 0.00 -1.26 -4.92 121.76 127.80 3a1k s ALA 258 Ca 0.36 0.44 0.20 0.00 0.00 0.00 0.00 51.96 52.97 3a1k s ALA 258 Cb -0.13 -3.31 1.30 0.00 0.00 0.00 0.00 23.12 20.99 3a1k s ALA 258 CO 0.17 -1.60 2.05 -0.44 0.00 0.00 0.00 175.76 175.94 3a1k h ASP 259 N -0.59 0.05 0.40 0.00 5.19 -1.98 -1.88 116.42 117.61 3a1k h ASP 259 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3a1k h ASP 259 Cb 1.24 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.74 3a1k h ASP 259 CO 0.52 0.03 -0.14 -1.54 -3.12 0.00 0.00 179.24 174.99 3a1k n SER 260 N -4.45 0.50 -4.73 6.45 3.41 -1.26 -4.91 113.62 108.63 3a1k n SER 260 Ca 0.05 -0.52 -0.42 0.00 -0.26 0.00 0.00 58.87 57.72 3a1k n SER 260 Cb 0.39 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3a1k n SER 260 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3a1k s VAL 261 N -2.54 2.06 -0.05 -3.33 1.01 -0.71 -4.99 120.40 111.84 3a1k s VAL 261 Ca 0.26 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 3a1k s VAL 261 Cb 0.20 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3a1k s VAL 261 CO 0.50 0.00 0.17 -1.61 0.00 0.00 0.00 175.10 174.16 3a1k s GLU 262 N 0.64 0.27 0.27 2.72 2.02 -1.26 -4.58 118.70 118.78 3a1k s GLU 262 Ca 0.71 0.13 -0.29 0.00 0.02 0.00 0.00 54.97 55.53 3a1k s GLU 262 Cb -0.49 0.12 -0.10 0.00 0.10 0.00 0.00 34.13 33.77 3a1k s GLU 262 CO 0.37 -0.04 1.21 0.00 0.02 0.00 0.00 175.26 176.82 3a1k s ALA 263 N -0.19 3.46 0.58 5.21 0.00 -1.26 -4.90 121.76 124.65 3a1k s ALA 263 Ca -0.03 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3a1k s ALA 263 Cb -0.02 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3a1k s ALA 263 CO 0.01 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3a1k n GLY 264 N 1.34 0.31 3.11 0.00 0.00 -1.26 -5.05 105.19 103.64 3a1k n GLY 264 Ca 0.01 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 3a1k n GLY 264 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1k s ASP 265 N -1.00 5.15 0.00 1.61 -1.08 -1.26 -4.95 116.67 115.14 3a1k s ASP 265 Ca 0.00 -1.97 0.25 0.00 -0.52 0.00 0.00 52.55 50.31 3a1k s ASP 265 Cb 0.00 -1.79 0.47 0.00 -1.46 0.00 0.00 42.92 40.14 3a1k s ASP 265 CO 0.00 -0.49 1.39 -1.22 0.52 0.00 0.00 175.17 175.37 3a1k n TYR 266 N 4.55 0.00 -0.06 -5.34 4.02 -1.26 -4.52 117.16 114.54 3a1k n TYR 266 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.77 3a1k n TYR 266 Cb 0.42 -0.05 -0.06 0.00 -0.02 0.00 0.00 39.34 39.63 3a1k n TYR 266 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3a1k n LEU 267 N -0.06 2.75 -0.24 7.72 4.77 -1.26 -4.34 117.00 126.34 3a1k n LEU 267 Ca 0.12 -0.04 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 3a1k n LEU 267 Cb 0.42 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 3a1k n LEU 267 CO 0.24 0.67 0.62 0.28 -1.33 0.00 0.00 177.39 177.87 3a1k h SER 268 N -0.06 -1.19 -0.42 -1.43 0.02 -2.01 -2.00 113.55 106.46 3a1k h SER 268 Ca -0.29 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3a1k h SER 268 Cb 1.43 0.61 0.00 0.00 0.14 0.00 0.00 62.40 64.57 3a1k h SER 268 CO -0.06 -0.30 0.00 0.35 -1.14 0.00 0.00 176.83 175.68 3a1k n THR 269 N -5.44 2.40 -0.30 -2.27 -2.24 -1.26 -4.64 114.28 100.53 3a1k n THR 269 Ca 0.06 -1.60 0.02 0.00 -2.27 0.00 0.00 64.05 60.25 3a1k n THR 269 Cb 0.37 -0.20 0.16 0.00 -2.10 0.00 0.00 70.33 68.55 3a1k n THR 269 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3a1k h LEU 270 N 2.90 0.76 -3.73 3.22 5.85 -1.55 -2.33 115.31 120.43 3a1k h LEU 270 Ca 0.00 0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.53 3a1k h LEU 270 Cb 1.64 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 42.42 3a1k h LEU 270 CO 0.33 0.46 0.27 0.47 -0.34 0.00 0.00 178.44 179.63 3a1k n ASP 271 N -4.68 4.71 -4.83 1.25 8.00 -1.26 -4.51 116.55 115.23 3a1k n ASP 271 Ca 0.13 -3.25 -0.32 0.00 0.71 0.00 0.00 54.79 52.06 3a1k n ASP 271 Cb 0.23 -0.74 -0.00 0.00 -0.02 0.00 0.00 41.12 40.58 3a1k n ASP 271 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3a1k s SER 272 N -1.13 6.17 0.41 -2.24 0.01 -0.88 -5.00 113.70 111.04 3a1k s SER 272 Ca 0.55 1.62 -0.26 0.00 1.31 0.00 0.00 55.95 59.16 3a1k s SER 272 Cb 0.44 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 64.08 3a1k s SER 272 CO 0.13 -0.90 1.32 1.51 0.41 0.00 0.00 173.24 175.71 3a1k s ASP 273 N -3.28 6.28 -0.15 2.44 3.84 -1.26 -4.93 116.67 119.61 3a1k s ASP 273 Ca 0.59 2.69 0.16 0.00 -0.00 0.00 0.00 52.55 56.00 3a1k s ASP 273 Cb -0.12 -2.64 0.66 0.00 -1.38 0.00 0.00 42.92 39.44 3a1k s ASP 273 CO 0.40 -0.88 1.58 1.33 -0.00 0.00 0.00 175.17 177.60 3a1k n VAL 274 N 0.12 2.08 -1.70 2.11 0.24 -1.26 -4.99 118.33 114.94 3a1k n VAL 274 Ca 0.04 -1.39 -0.44 0.00 -2.04 0.00 0.00 64.34 60.51 3a1k n VAL 274 Cb 0.43 -0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.75 3a1k n VAL 274 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3a1k n ASP 275 N 0.57 3.50 0.00 -1.34 8.00 -1.26 -1.50 116.55 124.53 3a1k n ASP 275 Ca 0.24 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.82 3a1k n ASP 275 Cb 0.92 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 3a1k n ASP 275 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a1k n GLY 276 N 3.39 1.86 3.75 0.44 0.00 0.88 -4.96 105.19 110.55 3a1k n GLY 276 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3a1k n GLY 276 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1k s LEU 277 N 0.00 4.43 -0.23 0.99 1.43 -0.56 -4.75 118.68 119.98 3a1k s LEU 277 Ca 0.00 2.46 -0.16 0.00 -1.03 0.00 0.00 54.13 55.40 3a1k s LEU 277 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3a1k s LEU 277 CO 0.00 -0.49 0.42 -0.13 0.23 0.00 0.00 176.35 176.38 3a1k s ARG 278 N -0.67 4.11 -0.21 1.70 0.52 -1.26 -1.66 118.95 121.47 3a1k s ARG 278 Ca 0.54 0.18 -0.04 0.00 -0.52 0.00 0.00 55.73 55.89 3a1k s ARG 278 Cb -0.37 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.49 3a1k s ARG 278 CO 0.42 -0.18 -0.03 0.42 0.02 0.00 0.00 175.30 175.95 3a1k s ILE 279 N 1.75 3.55 -0.25 1.52 1.01 0.79 -0.02 121.20 129.54 3a1k s ILE 279 Ca 0.18 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 3a1k s ILE 279 Cb -0.15 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3a1k s ILE 279 CO 0.09 0.43 0.13 -0.83 0.00 0.00 0.00 174.94 174.76 3a1k s GLY 280 N 1.23 1.88 -0.47 6.18 0.00 -0.35 -1.72 107.32 114.06 3a1k s GLY 280 Ca 0.03 -1.04 -0.22 0.00 0.00 0.00 0.00 44.72 43.48 3a1k s GLY 280 CO -0.01 0.52 0.77 -0.42 0.00 0.00 0.00 173.10 173.96 3a1k s ILE 281 N 1.48 4.66 -0.49 0.90 1.01 0.26 -0.34 121.20 128.68 3a1k s ILE 281 Ca 0.06 0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.66 3a1k s ILE 281 Cb -0.15 -4.34 -0.01 0.00 0.01 0.00 0.00 42.46 37.97 3a1k s ILE 281 CO 0.07 -0.78 1.69 -0.69 0.00 0.00 0.00 174.94 175.22 3a1k s VAL 282 N 3.24 3.56 0.22 2.92 1.01 -0.80 -1.16 120.40 129.38 3a1k s VAL 282 Ca 0.27 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.65 3a1k s VAL 282 Cb -0.13 -4.00 0.19 0.00 0.00 0.00 0.00 36.38 32.44 3a1k s VAL 282 CO 0.20 -0.80 1.70 0.03 0.00 0.00 0.00 175.10 176.22 3a1k h ARG 283 N 12.92 0.26 0.00 2.72 3.08 -1.59 0.14 114.38 131.91 3a1k h ARG 283 Ca -0.29 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3a1k h ARG 283 Cb 1.14 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3a1k h ARG 283 CO 1.14 0.17 0.00 0.39 -1.07 0.00 0.00 179.97 180.60 3a1k n GLU 284 N -5.14 0.02 0.00 0.04 4.71 -1.26 -1.12 120.64 117.89 3a1k n GLU 284 Ca 0.11 0.34 0.13 0.00 -0.01 0.00 0.00 57.16 57.73 3a1k n GLU 284 Cb 0.38 -1.50 0.48 0.00 -1.01 0.00 0.00 31.44 29.79 3a1k n GLU 284 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3a1k n GLY 285 N -1.15 -0.98 3.53 0.62 0.00 0.49 -4.89 105.19 102.81 3a1k n GLY 285 Ca 0.01 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 3a1k n GLY 285 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a1k s PHE 286 N -2.64 2.33 -1.36 1.61 0.40 -0.27 -4.32 117.98 113.72 3a1k s PHE 286 Ca 0.23 -0.57 -0.08 0.00 -0.60 0.00 0.00 56.93 55.90 3a1k s PHE 286 Cb 0.19 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.34 3a1k s PHE 286 CO 0.54 0.49 1.07 0.41 0.70 0.00 0.00 175.22 178.43 3a1k n GLY 287 N -0.78 -0.51 3.80 4.36 0.00 -1.26 -5.00 105.19 105.81 3a1k n GLY 287 Ca -0.05 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3a1k n GLY 287 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a1k s HIS 288 N -3.29 2.98 0.24 1.61 3.76 -1.26 -4.93 115.29 114.40 3a1k s HIS 288 Ca 0.53 1.50 -0.06 0.00 -0.15 0.00 0.00 55.06 56.88 3a1k s HIS 288 Cb -0.23 -2.99 0.30 0.00 1.11 0.00 0.00 32.58 30.77 3a1k s HIS 288 CO 0.66 -1.20 1.87 0.00 -0.85 0.00 0.00 174.74 175.22 3a1k h ALA 289 N 0.12 1.19 -2.50 -1.40 0.00 -2.02 -3.31 119.26 111.34 3a1k h ALA 289 Ca -0.46 -0.03 -0.77 0.00 0.00 0.00 0.00 54.91 53.66 3a1k h ALA 289 Cb 1.22 -0.28 -0.26 0.00 0.00 0.00 0.00 17.79 18.47 3a1k h ALA 289 CO 0.57 0.38 -0.11 0.08 0.00 0.00 0.00 179.25 180.17 3a1k s VAL 290 N -6.08 5.22 -0.02 0.00 1.01 -1.26 -4.99 120.40 114.28 3a1k s VAL 290 Ca -0.13 -2.01 -0.30 0.00 0.00 0.00 0.00 61.98 59.54 3a1k s VAL 290 Cb 0.18 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 32.38 3a1k s VAL 290 CO 0.80 -0.93 1.27 -0.94 0.00 0.00 0.00 175.10 175.30 3a1k s SER 291 N 2.76 -0.06 -0.35 3.32 1.04 -1.25 -4.87 113.70 114.30 3a1k s SER 291 Ca 0.10 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.35 3a1k s SER 291 Cb -0.21 0.17 0.06 0.00 0.10 0.00 0.00 66.02 66.15 3a1k s SER 291 CO -0.03 -0.32 0.11 -1.10 0.98 0.00 0.00 173.24 172.88 3a1k s GLN 292 N -2.45 2.41 0.60 4.02 -0.21 0.49 -5.00 119.66 119.52 3a1k s GLN 292 Ca 0.14 -1.39 0.28 0.00 0.02 0.00 0.00 55.36 54.41 3a1k s GLN 292 Cb 0.04 -3.43 1.39 0.00 1.00 0.00 0.00 33.01 32.02 3a1k s GLN 292 CO -0.04 -0.77 1.80 -1.00 -2.12 0.00 0.00 175.29 173.16 3a1k h PRO 293 N 8.12 0.00 -0.48 2.91 0.13 -1.96 0.07 132.00 140.79 3a1k h PRO 293 Ca -0.20 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.86 3a1k h PRO 293 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3a1k h PRO 293 CO 0.62 0.00 0.01 0.93 -0.23 0.00 0.00 178.00 179.33 3a1k h GLU 294 N 0.00 0.83 -0.11 0.86 5.08 -1.94 -1.13 114.58 118.18 3a1k h GLU 294 Ca 0.22 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3a1k h GLU 294 Cb 1.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3a1k h GLU 294 CO -0.00 0.87 0.06 0.28 -1.00 0.00 0.00 179.01 179.23 3a1k h VAL 295 N 0.69 1.06 -0.85 3.13 2.07 -1.29 -0.82 116.25 120.25 3a1k h VAL 295 Ca 0.14 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3a1k h VAL 295 Cb 0.49 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3a1k h VAL 295 CO 0.02 0.05 0.55 0.44 0.02 0.00 0.00 177.57 178.65 3a1k h ASP 296 N 0.11 0.93 -0.33 0.57 3.32 -1.38 -1.63 116.42 118.01 3a1k h ASP 296 Ca 0.04 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 3a1k h ASP 296 Cb 0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3a1k h ASP 296 CO -0.01 0.65 -0.04 0.44 -1.72 0.00 0.00 179.24 178.56 3a1k h ASP 297 N 1.09 0.60 0.11 6.45 3.32 -0.98 -0.65 116.42 126.37 3a1k h ASP 297 Ca 0.33 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3a1k h ASP 297 Cb -0.04 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3a1k h ASP 297 CO -0.10 0.80 -0.22 0.00 -1.72 0.00 0.00 179.24 178.00 3a1k h ALA 298 N 0.83 -0.37 -0.86 3.45 0.00 -0.83 0.28 119.26 121.75 3a1k h ALA 298 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3a1k h ALA 298 Cb 0.51 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3a1k h ALA 298 CO 0.02 -0.75 0.56 0.28 0.00 0.00 0.00 179.25 179.37 3a1k h VAL 299 N -0.41 1.22 -0.40 0.00 2.07 -1.28 -0.47 116.25 116.98 3a1k h VAL 299 Ca 0.03 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3a1k h VAL 299 Cb 0.44 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3a1k h VAL 299 CO -0.12 0.22 0.26 -0.09 0.02 0.00 0.00 177.57 177.86 3a1k h ARG 300 N 1.17 0.53 -0.44 1.57 2.43 -0.58 -0.16 114.38 118.89 3a1k h ARG 300 Ca 0.31 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3a1k h ARG 300 Cb -0.12 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 3a1k h ARG 300 CO -0.07 0.36 0.25 0.00 -1.51 0.00 0.00 179.97 179.00 3a1k h ALA 301 N 1.14 0.57 -0.76 2.80 0.00 0.04 -2.17 119.26 120.88 3a1k h ALA 301 Ca 0.15 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3a1k h ALA 301 Cb -0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3a1k h ALA 301 CO -0.03 0.08 0.47 0.00 0.00 0.00 0.00 179.25 179.76 3a1k h ALA 302 N 1.11 1.01 -0.61 0.00 0.00 -0.61 -1.22 119.26 118.94 3a1k h ALA 302 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3a1k h ALA 302 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3a1k h ALA 302 CO -0.03 0.23 0.26 0.00 0.00 0.00 0.00 179.25 179.71 3a1k h ALA 303 N 1.34 0.79 -0.04 0.00 0.00 -0.68 -2.86 119.26 117.81 3a1k h ALA 303 Ca 0.32 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3a1k h ALA 303 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3a1k h ALA 303 CO -0.14 0.39 -0.41 0.45 0.00 0.00 0.00 179.25 179.55 3a1k h HIS 304 N 0.85 0.10 0.00 0.00 3.86 -0.84 -2.95 115.15 116.16 3a1k h HIS 304 Ca 0.20 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3a1k h HIS 304 Cb 0.18 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3a1k h HIS 304 CO 0.01 0.48 0.00 -1.13 0.86 0.00 0.00 177.93 178.15 3a1k n SER 305 N -4.04 0.17 0.04 2.45 3.41 -0.51 -1.79 113.62 113.34 3a1k n SER 305 Ca -0.02 0.57 0.09 0.00 -0.26 0.00 0.00 58.87 59.26 3a1k n SER 305 Cb 0.45 -0.60 0.38 0.00 -0.26 0.00 0.00 64.21 64.18 3a1k n SER 305 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a1k n LEU 306 N -1.72 0.22 0.25 1.04 4.77 -1.12 -1.79 117.00 118.65 3a1k n LEU 306 Ca -0.00 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 3a1k n LEU 306 Cb 0.03 -0.52 0.56 0.00 -2.33 0.00 0.00 43.42 41.15 3a1k n LEU 306 CO 0.04 -0.33 0.89 0.71 -1.33 0.00 0.00 177.39 177.38 3a1k h THR 307 N 0.00 0.27 0.00 -5.08 1.35 -1.50 -2.42 112.91 105.53 3a1k h THR 307 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3a1k h THR 307 Cb 0.31 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3a1k h THR 307 CO 0.00 0.11 0.00 -0.33 -0.25 0.00 0.00 175.52 175.05 3a1k h GLU 308 N 0.00 0.00 -0.22 4.72 5.08 -1.58 -2.41 114.58 120.17 3a1k h GLU 308 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a1k h GLU 308 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3a1k h GLU 308 CO 0.01 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.46 3a1k n ILE 309 N -2.93 2.09 -0.29 3.13 -5.35 -0.95 -4.96 119.36 110.10 3a1k n ILE 309 Ca -0.01 -1.84 0.00 0.00 -0.27 0.00 0.00 62.75 60.63 3a1k n ILE 309 Cb 0.20 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 3a1k n ILE 309 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a1k n GLY 310 N -0.56 0.85 3.87 3.28 0.00 -0.91 -3.98 105.19 107.74 3a1k n GLY 310 Ca 0.19 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3a1k n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1k s THR 312 N -1.74 5.16 -0.22 0.00 2.01 -0.67 -4.11 115.64 116.08 3a1k s THR 312 Ca 0.45 0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.66 3a1k s THR 312 Cb -0.12 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.60 3a1k s THR 312 CO 0.20 -0.02 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.37 3a1k s VAL 313 N 2.06 3.16 0.07 3.82 1.01 -1.26 -0.15 120.40 129.11 3a1k s VAL 313 Ca 0.13 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3a1k s VAL 313 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3a1k s VAL 313 CO 0.11 0.39 -0.08 -1.61 0.00 0.00 0.00 175.10 173.92 3a1k s GLU 314 N 1.43 0.67 0.25 2.72 2.02 -0.70 -5.01 118.70 120.09 3a1k s GLU 314 Ca 0.05 -0.98 -0.17 0.00 0.02 0.00 0.00 54.97 53.88 3a1k s GLU 314 Cb -0.14 -0.32 -0.08 0.00 0.10 0.00 0.00 34.13 33.68 3a1k s GLU 314 CO -0.05 0.04 0.71 -1.21 0.02 0.00 0.00 175.26 174.77 3a1k s GLU 315 N -2.39 4.12 0.01 1.61 2.02 -1.26 -0.58 118.70 122.24 3a1k s GLU 315 Ca -0.01 0.74 0.00 0.00 0.02 0.00 0.00 54.97 55.72 3a1k s GLU 315 Cb -0.05 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.46 3a1k s GLU 315 CO -0.01 0.31 -0.02 0.54 0.02 0.00 0.00 175.26 176.09 3a1k s VAL 316 N -1.70 0.09 -0.15 2.63 0.11 -0.31 -4.82 120.40 116.25 3a1k s VAL 316 Ca 0.47 -0.64 -0.11 0.00 -2.93 0.00 0.00 61.98 58.77 3a1k s VAL 316 Cb -0.14 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.47 3a1k s VAL 316 CO 0.19 -0.35 0.21 0.20 -3.33 0.00 0.00 175.10 172.02 3a1k s ASN 317 N -1.03 6.38 -0.42 3.54 0.01 -1.26 -1.45 114.94 120.72 3a1k s ASN 317 Ca -0.11 0.45 0.04 0.00 -0.71 0.00 0.00 52.86 52.53 3a1k s ASN 317 Cb -0.07 -2.13 0.18 0.00 0.41 0.00 0.00 41.25 39.64 3a1k s ASN 317 CO -0.01 0.24 0.37 -0.38 -1.51 0.00 0.00 177.10 175.81 3a1k n ILE 318 N 2.93 -1.08 -0.33 0.60 5.41 -1.26 -4.99 119.36 120.63 3a1k n ILE 318 Ca -0.16 -3.53 0.17 0.00 1.00 0.00 0.00 62.75 60.23 3a1k n ILE 318 Cb 0.53 -1.70 0.40 0.00 -0.71 0.00 0.00 39.64 38.16 3a1k n ILE 318 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3a1k h PRO 319 N 5.43 0.57 0.00 0.38 0.11 -1.99 0.69 132.00 137.20 3a1k h PRO 319 Ca 0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3a1k h PRO 319 Cb 0.90 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3a1k h PRO 319 CO 0.39 0.38 0.00 0.91 -0.21 0.00 0.00 178.00 179.47 3a1k n TRP 320 N -4.75 0.51 -0.11 0.65 7.02 -1.26 -1.78 117.44 117.73 3a1k n TRP 320 Ca 0.25 0.25 -0.02 0.00 -1.02 0.00 0.00 57.50 56.96 3a1k n TRP 320 Cb 0.71 -0.90 0.22 0.00 -2.42 0.00 0.00 31.31 28.92 3a1k n TRP 320 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3a1k h HIS 321 N 0.00 0.79 -0.07 -5.99 2.76 -1.24 0.12 115.15 111.52 3a1k h HIS 321 Ca 0.00 -0.06 -0.19 0.00 -2.20 0.00 0.00 60.37 57.92 3a1k h HIS 321 Cb 0.08 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 28.81 3a1k h HIS 321 CO 0.00 0.66 -0.69 -0.07 -1.30 0.00 0.00 177.93 176.52 3a1k h LEU 322 N 0.75 0.73 -1.18 0.26 3.38 -1.53 -3.21 115.31 114.51 3a1k h LEU 322 Ca 0.17 -0.69 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 3a1k h LEU 322 Cb 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3a1k h LEU 322 CO -0.00 1.31 0.12 0.45 0.09 0.00 0.00 178.44 180.40 3a1k h HIS 323 N 0.21 0.70 -0.35 1.13 3.86 -1.54 -2.65 115.15 116.51 3a1k h HIS 323 Ca -0.07 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3a1k h HIS 323 Cb 1.36 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 3a1k h HIS 323 CO 0.11 0.60 0.24 0.00 0.86 0.00 0.00 177.93 179.74 3a1k h ALA 324 N 1.46 2.09 -0.33 2.45 0.00 -0.77 -1.18 119.26 122.97 3a1k h ALA 324 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3a1k h ALA 324 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a1k h ALA 324 CO -0.00 -0.16 0.09 0.35 0.00 0.00 0.00 179.25 179.52 3a1k h PHE 325 N 0.19 0.54 -0.36 0.00 3.57 -1.52 -0.60 116.94 118.76 3a1k h PHE 325 Ca 0.16 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 3a1k h PHE 325 Cb 0.39 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3a1k h PHE 325 CO -0.00 0.55 -0.26 0.45 -2.23 0.00 0.00 178.31 176.82 3a1k h HIS 326 N 0.37 0.84 -0.33 0.41 3.86 -1.34 -1.12 115.15 117.84 3a1k h HIS 326 Ca 0.10 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 3a1k h HIS 326 Cb 0.28 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3a1k h HIS 326 CO 0.01 0.91 0.17 0.82 0.86 0.00 0.00 177.93 180.71 3a1k h ILE 327 N 0.63 1.14 -0.45 2.45 2.04 -1.16 -2.15 117.51 120.02 3a1k h ILE 327 Ca 0.08 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.61 3a1k h ILE 327 Cb 0.77 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3a1k h ILE 327 CO 0.06 0.15 0.18 -0.25 0.00 0.00 0.00 178.15 178.29 3a1k h TRP 328 N 0.40 0.32 -0.84 1.37 7.01 -0.84 -1.86 115.95 121.52 3a1k h TRP 328 Ca 0.11 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.22 3a1k h TRP 328 Cb 0.08 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 26.99 3a1k h TRP 328 CO -0.02 0.13 0.49 -0.91 -2.79 0.00 0.00 178.44 175.34 3a1k h ASN 329 N 0.36 0.72 -0.29 2.65 -0.26 -0.76 0.35 115.58 118.36 3a1k h ASN 329 Ca 0.21 0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.93 3a1k h ASN 329 Cb 0.18 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3a1k h ASN 329 CO -0.19 0.42 -0.04 0.58 -1.06 0.00 0.00 177.43 177.15 3a1k h VAL 330 N 0.84 1.27 -0.36 2.81 2.07 -0.96 -1.10 116.25 120.83 3a1k h VAL 330 Ca 0.40 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3a1k h VAL 330 Cb 0.32 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3a1k h VAL 330 CO -0.23 0.33 0.09 0.40 0.02 0.00 0.00 177.57 178.18 3a1k h ILE 331 N 0.31 1.22 0.00 4.57 2.04 -0.56 -0.40 117.51 124.69 3a1k h ILE 331 Ca 0.08 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 3a1k h ILE 331 Cb 0.49 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3a1k h ILE 331 CO 0.02 0.25 -0.42 0.00 0.00 0.00 0.00 178.15 178.00 3a1k h ALA 332 N 0.93 1.22 0.00 1.87 0.00 -0.32 -0.52 119.26 122.45 3a1k h ALA 332 Ca 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3a1k h ALA 332 Cb 0.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3a1k h ALA 332 CO 0.00 0.53 -0.12 1.15 0.00 0.00 0.00 179.25 180.81 3a1k h THR 333 N 0.00 0.03 -0.20 0.00 2.02 -0.98 -1.03 112.91 112.75 3a1k h THR 333 Ca -0.00 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 3a1k h THR 333 Cb 0.79 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3a1k h THR 333 CO 0.06 0.01 0.06 0.44 0.37 0.00 0.00 175.52 176.45 3a1k h ASP 334 N -1.00 0.30 -0.47 4.18 5.19 -1.20 -1.80 116.42 121.62 3a1k h ASP 334 Ca -0.00 -0.21 -0.06 0.00 -0.62 0.00 0.00 57.03 56.14 3a1k h ASP 334 Cb 0.14 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 3a1k h ASP 334 CO -0.00 0.44 0.07 1.23 -3.12 0.00 0.00 179.24 177.85 3a1k h GLY 335 N 0.15 0.84 0.96 2.75 0.00 -1.20 -1.61 103.07 104.96 3a1k h GLY 335 Ca 0.06 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 3a1k h GLY 335 CO -0.00 0.52 0.10 -1.33 0.00 0.00 0.00 176.54 175.83 3a1k h GLY 336 N 0.64 0.25 0.98 4.60 0.00 -1.13 0.11 103.07 108.52 3a1k h GLY 336 Ca 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 3a1k h GLY 336 CO 0.01 0.10 0.18 0.00 0.00 0.00 0.00 176.54 176.83 3a1k h ALA 337 N 1.01 0.69 -0.50 3.60 0.00 -1.31 0.87 119.26 123.62 3a1k h ALA 337 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3a1k h ALA 337 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3a1k h ALA 337 CO -0.01 0.33 0.22 -0.92 0.00 0.00 0.00 179.25 178.87 3a1k h TYR 338 N 0.72 0.75 0.00 0.00 3.20 -1.09 -1.48 116.97 119.07 3a1k h TYR 338 Ca 0.17 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3a1k h TYR 338 Cb 0.25 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 3a1k h TYR 338 CO 0.01 0.61 -0.63 0.94 -1.64 0.00 0.00 178.16 177.45 3a1k n GLN 339 N -4.58 0.47 -0.25 1.82 7.27 0.37 -1.89 117.38 120.58 3a1k n GLN 339 Ca 0.02 0.50 -0.06 0.00 0.07 0.00 0.00 57.00 57.52 3a1k n GLN 339 Cb 0.14 -1.67 0.05 0.00 2.41 0.00 0.00 30.24 31.17 3a1k n GLN 339 CO 0.00 0.00 0.00 1.98 0.07 0.00 0.00 177.06 179.11 3a1k h MET 340 N -1.00 1.03 0.00 3.69 4.05 -0.83 -0.94 114.93 120.93 3a1k h MET 340 Ca -0.03 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 3a1k h MET 340 Cb 0.62 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 3a1k h MET 340 CO -0.02 0.85 -0.08 -0.07 0.23 0.00 0.00 176.91 177.82 3a1k h LEU 341 N 0.99 0.00 -1.71 3.39 3.38 -1.45 0.29 115.31 120.20 3a1k h LEU 341 Ca 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3a1k h LEU 341 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3a1k h LEU 341 CO -0.02 0.12 -0.16 0.44 0.09 0.00 0.00 178.44 178.92 3a1k h ASP 342 N -0.17 0.00 -0.24 -0.43 3.32 -1.35 -2.00 116.42 115.55 3a1k h ASP 342 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a1k h ASP 342 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3a1k h ASP 342 CO 0.00 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 178.29 3a1k n GLY 343 N -1.05 0.87 3.65 2.75 0.00 -0.38 -4.97 105.19 106.06 3a1k n GLY 343 Ca -0.02 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 3a1k n GLY 343 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a1k n ASN 344 N 0.83 -4.38 0.00 1.61 5.03 -0.75 -0.09 115.26 117.50 3a1k n ASN 344 Ca 0.17 -0.94 0.00 0.00 0.87 0.00 0.00 54.58 54.68 3a1k n ASN 344 Cb 0.45 -3.71 0.00 0.00 -1.02 0.00 0.00 39.78 35.50 3a1k n ASN 344 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a1k n GLY 345 N -1.63 2.23 0.17 7.41 0.00 0.08 -4.39 105.19 109.07 3a1k n GLY 345 Ca -0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 3a1k n GLY 345 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3a1k h TYR 346 N 0.00 0.53 -0.32 1.61 -1.99 -1.78 -3.38 116.97 111.64 3a1k h TYR 346 Ca 0.00 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.50 3a1k h TYR 346 Cb 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 38.65 3a1k h TYR 346 CO 0.00 0.98 0.00 0.41 -0.00 0.00 0.00 178.16 179.55 3a1k n GLY 347 N 0.54 0.01 0.73 3.88 0.00 0.88 -4.97 105.19 106.26 3a1k n GLY 347 Ca -0.04 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 3a1k n GLY 347 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a1k n MET 348 N 0.00 0.14 -2.75 1.61 0.00 -1.26 -4.98 117.12 109.88 3a1k n MET 348 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 57.70 56.87 3a1k n MET 348 Cb 0.00 0.60 0.02 0.00 0.00 0.00 0.00 33.22 33.84 3a1k n MET 348 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3a1k n ASN 349 N -2.22 -5.28 -3.78 7.83 3.02 -1.26 -5.02 115.26 108.55 3a1k n ASN 349 Ca 0.01 -0.18 -0.13 0.00 -0.03 0.00 0.00 54.58 54.24 3a1k n ASN 349 Cb 0.13 -4.18 -0.13 0.00 -0.61 0.00 0.00 39.78 34.99 3a1k n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a1k s ALA 350 N -3.02 -0.37 0.49 5.41 0.00 -1.26 -5.14 121.76 117.87 3a1k s ALA 350 Ca 0.19 0.61 -0.21 0.00 0.00 0.00 0.00 51.96 52.55 3a1k s ALA 350 Cb -0.08 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.58 3a1k s ALA 350 CO 0.23 -0.12 1.11 -2.00 0.00 0.00 0.00 175.76 174.99 3a1k s GLU 351 N 0.64 3.67 0.00 0.00 2.56 -1.26 -4.95 118.70 119.36 3a1k s GLU 351 Ca -0.05 1.60 0.00 0.00 0.00 0.00 0.00 54.97 56.53 3a1k s GLU 351 Cb -0.06 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.85 3a1k s GLU 351 CO -0.03 -0.59 0.00 0.41 -0.56 0.00 0.00 175.26 174.49 3a1k n GLY 352 N 0.20 -0.47 3.61 -1.50 0.00 -1.26 -3.95 105.19 101.81 3a1k n GLY 352 Ca 0.09 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 3a1k n GLY 352 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a1k s LEU 353 N 0.00 4.08 0.34 0.99 0.20 -0.62 -5.04 118.68 118.63 3a1k s LEU 353 Ca 0.00 0.53 0.07 0.00 0.69 0.00 0.00 54.13 55.42 3a1k s LEU 353 Cb 0.00 -2.72 -0.02 0.00 -0.43 0.00 0.00 46.19 43.02 3a1k s LEU 353 CO 0.00 -0.34 0.35 -0.31 -0.29 0.00 0.00 176.35 175.77 3a1k s TYR 354 N 2.39 2.96 -0.63 5.38 2.02 -1.26 -4.87 117.35 123.34 3a1k s TYR 354 Ca 0.23 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.69 3a1k s TYR 354 Cb -0.15 -1.88 0.19 0.00 -0.40 0.00 0.00 41.96 39.72 3a1k s TYR 354 CO 0.09 0.11 0.53 -3.47 -1.57 0.00 0.00 175.55 171.24 3a1k n ASP 355 N -1.47 2.53 -0.30 2.29 -0.08 -1.26 -4.96 116.55 113.30 3a1k n ASP 355 Ca -0.01 -3.12 0.17 0.00 -1.51 0.00 0.00 54.79 50.32 3a1k n ASP 355 Cb 0.59 -0.70 0.43 0.00 2.34 0.00 0.00 41.12 43.78 3a1k n ASP 355 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3a1k h PRO 356 N 5.08 0.55 -0.63 -0.67 0.11 -1.99 -1.16 132.00 133.28 3a1k h PRO 356 Ca 0.17 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 3a1k h PRO 356 Cb 0.76 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 3a1k h PRO 356 CO 0.68 0.36 0.21 0.93 -0.21 0.00 0.00 178.00 179.97 3a1k h GLU 357 N 0.56 0.97 -0.32 1.05 3.07 -2.00 -1.84 114.58 116.08 3a1k h GLU 357 Ca 0.53 -0.20 -0.10 0.00 -0.50 0.00 0.00 59.36 59.09 3a1k h GLU 357 Cb 1.08 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 3a1k h GLU 357 CO -0.27 0.85 -0.18 1.25 -1.40 0.00 0.00 179.01 179.26 3a1k h LEU 358 N 0.90 0.71 -0.46 1.33 6.46 -1.67 -1.95 115.31 120.62 3a1k h LEU 358 Ca 0.20 -0.42 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 3a1k h LEU 358 Cb 0.27 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 3a1k h LEU 358 CO -0.01 0.97 0.25 0.24 -0.62 0.00 0.00 178.44 179.27 3a1k h MET 359 N 0.44 0.48 -0.28 1.25 2.86 -1.17 -0.25 114.93 118.26 3a1k h MET 359 Ca 0.07 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3a1k h MET 359 Cb 0.72 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3a1k h MET 359 CO 0.05 0.32 0.05 0.00 1.06 0.00 0.00 176.91 178.40 3a1k h ALA 360 N 1.23 0.38 0.22 6.32 0.00 -1.30 -0.58 119.26 125.54 3a1k h ALA 360 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3a1k h ALA 360 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3a1k h ALA 360 CO -0.12 0.05 -0.11 1.25 0.00 0.00 0.00 179.25 180.33 3a1k h HIS 361 N 0.29 -0.28 -0.91 0.00 6.17 -1.14 -2.18 115.15 117.10 3a1k h HIS 361 Ca 0.09 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.16 3a1k h HIS 361 Cb 0.32 0.09 -0.04 0.00 2.52 0.00 0.00 27.41 30.29 3a1k h HIS 361 CO 0.02 -0.15 0.56 0.35 0.71 0.00 0.00 177.93 179.41 3a1k h PHE 362 N -0.32 1.19 -0.45 5.26 -0.00 -1.03 -2.24 116.94 119.34 3a1k h PHE 362 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.94 3a1k h PHE 362 Cb 0.25 -0.39 -0.02 0.00 -0.00 0.00 0.00 35.95 35.78 3a1k h PHE 362 CO -0.06 0.78 0.26 0.00 -0.00 0.00 0.00 178.31 179.30 3a1k h ALA 363 N 1.36 0.58 -0.31 2.41 0.00 -0.85 0.13 119.26 122.59 3a1k h ALA 363 Ca 0.33 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 3a1k h ALA 363 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3a1k h ALA 363 CO -0.06 0.08 -0.40 0.66 0.00 0.00 0.00 179.25 179.53 3a1k h SER 364 N 0.60 0.80 1.50 0.00 4.64 -1.15 -3.25 113.55 116.69 3a1k h SER 364 Ca 0.16 -0.37 -0.09 0.00 -0.47 0.00 0.00 61.79 61.02 3a1k h SER 364 Cb 0.02 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 3a1k h SER 364 CO -0.03 1.10 -0.51 0.03 -0.87 0.00 0.00 176.83 176.56 3a1k h ARG 365 N 0.61 0.00 -0.50 4.77 3.08 -1.27 -3.29 114.38 117.78 3a1k h ARG 365 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3a1k h ARG 365 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 3a1k h ARG 365 CO 0.09 0.40 0.29 -0.09 -1.07 0.00 0.00 179.97 179.58 3a1k h ARG 366 N 0.00 0.68 0.05 0.04 2.43 -0.76 -0.53 114.38 116.29 3a1k h ARG 366 Ca -0.02 -0.07 -0.24 0.00 -0.81 0.00 0.00 59.98 58.85 3a1k h ARG 366 Cb 1.33 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3a1k h ARG 366 CO 0.05 0.52 -1.05 -0.84 -1.51 0.00 0.00 179.97 177.14 3a1k h ILE 367 N 0.66 1.46 0.00 1.20 -0.00 -1.71 -1.21 117.51 117.92 3a1k h ILE 367 Ca 0.18 -2.72 -0.06 0.00 -0.00 0.00 0.00 64.86 62.25 3a1k h ILE 367 Cb 0.02 2.63 -0.01 0.00 -0.00 0.00 0.00 36.82 39.46 3a1k h ILE 367 CO -0.03 0.80 -0.28 -0.61 -0.00 0.00 0.00 178.15 178.03 3a1k h GLN 368 N 0.15 0.00 0.00 0.16 4.15 -1.60 -3.26 115.11 114.70 3a1k h GLN 368 Ca -0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3a1k h GLN 368 Cb 1.72 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.41 3a1k h GLN 368 CO 0.17 0.28 -0.15 0.72 -1.93 0.00 0.00 178.83 177.92 3a1k n HIS 369 N -3.47 0.00 -0.31 3.99 8.25 -0.22 -4.84 115.22 118.62 3a1k n HIS 369 Ca -0.00 -0.66 0.10 0.00 -0.26 0.00 0.00 57.72 56.90 3a1k n HIS 369 Cb 0.45 -0.11 0.27 0.00 1.12 0.00 0.00 29.99 31.72 3a1k n HIS 369 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a1k h ALA 370 N 0.00 1.39 0.00 -1.41 0.00 -1.26 0.53 119.26 118.51 3a1k h ALA 370 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3a1k h ALA 370 Cb 1.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3a1k h ALA 370 CO 0.00 -0.19 0.00 -0.44 0.00 0.00 0.00 179.25 178.62 3a1k h ASP 371 N 0.54 0.00 0.95 0.00 3.32 -1.87 -0.52 116.42 118.85 3a1k h ASP 371 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 3a1k h ASP 371 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3a1k h ASP 371 CO -0.43 0.00 -0.16 0.00 -1.72 0.00 0.00 179.24 176.93 3a1k n ALA 372 N -2.05 2.64 -1.76 3.45 0.00 0.18 -4.88 120.51 118.09 3a1k n ALA 372 Ca -0.02 -0.16 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 3a1k n ALA 372 Cb 0.11 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.22 3a1k n ALA 372 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a1k s LEU 373 N -3.33 4.00 0.86 0.00 1.43 -0.20 -4.84 118.68 116.60 3a1k s LEU 373 Ca 0.12 2.80 -0.12 0.00 -1.03 0.00 0.00 54.13 55.91 3a1k s LEU 373 Cb 0.17 -4.10 0.11 0.00 0.03 0.00 0.00 46.19 42.41 3a1k s LEU 373 CO 0.59 -1.32 1.17 -0.94 0.23 0.00 0.00 176.35 176.09 3a1k s SER 374 N -0.76 3.28 0.42 2.29 1.04 -1.26 -4.81 113.70 113.90 3a1k s SER 374 Ca 0.66 2.26 0.11 0.00 0.48 0.00 0.00 55.95 59.45 3a1k s SER 374 Cb -0.41 -2.58 0.89 0.00 0.10 0.00 0.00 66.02 64.02 3a1k s SER 374 CO 0.51 -2.87 1.97 -0.33 0.98 0.00 0.00 173.24 173.51 3a1k h GLU 375 N -1.40 0.20 -0.44 4.02 4.39 -1.97 -2.27 114.58 117.12 3a1k h GLU 375 Ca -0.45 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.12 3a1k h GLU 375 Cb 1.28 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 3a1k h GLU 375 CO 0.44 0.30 -0.11 1.79 -1.16 0.00 0.00 179.01 180.27 3a1k h THR 376 N 0.20 1.27 -0.38 1.13 1.35 -1.91 -0.25 112.91 114.32 3a1k h THR 376 Ca 0.04 -1.22 -0.06 0.00 -0.55 0.00 0.00 66.41 64.62 3a1k h THR 376 Cb 0.27 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 3a1k h THR 376 CO 0.01 0.42 -0.03 0.58 -0.25 0.00 0.00 175.52 176.25 3a1k h VAL 377 N 0.69 1.22 -0.36 6.82 2.07 -1.70 -1.29 116.25 123.70 3a1k h VAL 377 Ca 0.11 -0.93 -0.14 0.00 0.82 0.00 0.00 66.70 66.56 3a1k h VAL 377 Cb 0.65 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3a1k h VAL 377 CO 0.04 0.32 -0.34 0.11 0.02 0.00 0.00 177.57 177.73 3a1k h LYS 378 N 0.58 0.81 -0.43 1.57 1.57 -1.15 0.12 116.57 119.65 3a1k h LYS 378 Ca 0.12 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3a1k h LYS 378 Cb 0.42 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3a1k h LYS 378 CO 0.02 1.03 0.25 1.25 -0.57 0.00 0.00 179.45 181.42 3a1k h LEU 379 N 0.68 0.52 -0.45 2.94 5.85 -0.54 0.73 115.31 125.05 3a1k h LEU 379 Ca 0.07 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3a1k h LEU 379 Cb 0.89 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3a1k h LEU 379 CO 0.08 0.43 0.21 0.58 -0.34 0.00 0.00 178.44 179.40 3a1k h VAL 380 N 0.56 1.19 -0.15 1.05 2.07 -0.96 -1.48 116.25 118.53 3a1k h VAL 380 Ca 0.15 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3a1k h VAL 380 Cb 0.02 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3a1k h VAL 380 CO -0.03 0.21 0.02 0.00 0.02 0.00 0.00 177.57 177.80 3a1k h ALA 381 N 1.05 0.14 0.33 1.67 0.00 -0.28 0.15 119.26 122.32 3a1k h ALA 381 Ca 0.15 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3a1k h ALA 381 Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3a1k h ALA 381 CO -0.02 -0.42 -0.16 -0.07 0.00 0.00 0.00 179.25 178.58 3a1k h LEU 382 N 0.08 -0.37 -0.82 0.00 3.38 -0.69 -0.21 115.31 116.69 3a1k h LEU 382 Ca 0.07 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3a1k h LEU 382 Cb 0.06 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3a1k h LEU 382 CO -0.09 -0.04 -0.54 0.00 0.09 0.00 0.00 178.44 177.86 3a1k h THR 383 N -0.72 1.37 -0.53 0.22 1.03 -1.32 -2.54 112.91 110.41 3a1k h THR 383 Ca -0.04 -1.84 -0.09 0.00 -0.01 0.00 0.00 66.41 64.43 3a1k h THR 383 Cb 0.49 1.94 -0.02 0.00 -1.07 0.00 0.00 68.15 69.49 3a1k h THR 383 CO 0.07 0.54 0.00 1.23 -0.01 0.00 0.00 175.52 177.35 3a1k h GLY 384 N 1.49 1.02 1.46 2.99 0.00 -0.70 -0.60 103.07 108.73 3a1k h GLY 384 Ca -0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 3a1k h GLY 384 CO 0.08 0.69 0.34 0.84 0.00 0.00 0.00 176.54 178.48 3a1k h HIS 385 N 0.82 0.69 -0.49 5.60 6.17 -0.85 0.15 115.15 127.24 3a1k h HIS 385 Ca 0.15 0.01 -0.13 0.00 0.71 0.00 0.00 60.37 61.11 3a1k h HIS 385 Cb 0.53 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 30.22 3a1k h HIS 385 CO 0.04 0.46 -0.21 1.25 0.71 0.00 0.00 177.93 180.17 3a1k h HIS 386 N 0.74 1.16 -0.44 5.26 6.17 -0.98 -1.55 115.15 125.51 3a1k h HIS 386 Ca 0.20 -0.28 -0.10 0.00 0.71 0.00 0.00 60.37 60.89 3a1k h HIS 386 Cb -0.05 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.60 3a1k h HIS 386 CO 0.00 1.11 -0.13 0.78 0.71 0.00 0.00 177.93 180.40 3a1k h GLY 387 N 0.87 0.94 0.98 5.26 0.00 0.02 -1.51 103.07 109.64 3a1k h GLY 387 Ca 0.11 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.55 3a1k h GLY 387 CO 0.07 0.72 -0.19 -2.22 0.00 0.00 0.00 176.54 174.92 3a1k h ILE 388 N 0.70 1.29 0.00 2.60 2.04 -0.96 0.29 117.51 123.46 3a1k h ILE 388 Ca 0.11 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3a1k h ILE 388 Cb 0.68 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3a1k h ILE 388 CO 0.05 0.43 0.00 0.35 0.00 0.00 0.00 178.15 178.98 3a1k n THR 389 N -4.29 0.00 -0.25 -0.27 -2.24 -0.59 -3.34 114.28 103.29 3a1k n THR 389 Ca -0.02 0.07 0.02 0.00 -2.27 0.00 0.00 64.05 61.85 3a1k n THR 389 Cb 0.42 -0.69 0.15 0.00 -2.10 0.00 0.00 70.33 68.10 3a1k n THR 389 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3a1k h THR 390 N 0.00 0.83 -0.00 4.28 2.02 -1.70 -0.64 112.91 117.70 3a1k h THR 390 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3a1k h THR 390 Cb 0.00 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 3a1k h THR 390 CO 0.00 0.11 -0.09 0.18 0.37 0.00 0.00 175.52 176.09 3a1k n LEU 391 N -4.86 0.23 -1.46 2.58 4.32 -0.59 -4.93 117.00 112.29 3a1k n LEU 391 Ca 0.12 0.20 -0.19 0.00 -0.02 0.00 0.00 56.01 56.12 3a1k n LEU 391 Cb 0.29 -0.29 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 3a1k n LEU 391 CO 0.24 0.05 -0.18 0.61 -1.22 0.00 0.00 177.39 176.89 3a1k n GLY 392 N 1.35 1.82 3.18 -0.72 0.00 -0.25 -2.33 105.19 108.24 3a1k n GLY 392 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3a1k n GLY 392 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1k n GLY 393 N -0.64 0.58 0.33 -0.02 0.00 0.99 -4.89 105.19 101.54 3a1k n GLY 393 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 3a1k n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1k h ALA 394 N 0.00 1.86 -0.37 4.61 0.00 -1.68 -1.86 119.26 121.82 3a1k h ALA 394 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3a1k h ALA 394 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3a1k h ALA 394 CO 0.00 0.06 -0.15 0.77 0.00 0.00 0.00 179.25 179.93 3a1k h SER 395 N 0.51 0.66 -0.36 0.00 0.02 -1.87 0.36 113.55 112.86 3a1k h SER 395 Ca 0.23 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 3a1k h SER 395 Cb 0.27 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3a1k h SER 395 CO -0.06 0.83 -0.04 0.22 -1.14 0.00 0.00 176.83 176.63 3a1k h TYR 396 N 0.60 0.74 -0.91 3.45 5.03 -1.68 -0.42 116.97 123.78 3a1k h TYR 396 Ca 0.10 -0.14 -0.00 0.00 2.58 0.00 0.00 58.73 61.26 3a1k h TYR 396 Cb 0.60 -0.19 -0.04 0.00 1.55 0.00 0.00 36.73 38.65 3a1k h TYR 396 CO 0.03 0.80 0.56 0.78 -1.32 0.00 0.00 178.16 179.00 3a1k h GLY 397 N 0.47 1.30 0.98 1.82 0.00 -0.89 -0.18 103.07 106.58 3a1k h GLY 397 Ca 0.10 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 3a1k h GLY 397 CO 0.03 0.51 -0.18 0.50 0.00 0.00 0.00 176.54 177.40 3a1k h LYS 398 N 1.25 0.75 -0.18 4.80 1.57 -0.73 -2.06 116.57 121.96 3a1k h LYS 398 Ca 0.33 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3a1k h LYS 398 Cb -0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3a1k h LYS 398 CO -0.06 0.95 0.10 0.00 -0.57 0.00 0.00 179.45 179.86 3a1k h ALA 399 N 0.78 0.22 -0.84 3.86 0.00 -0.62 -2.37 119.26 120.30 3a1k h ALA 399 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3a1k h ALA 399 Cb 0.73 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 3a1k h ALA 399 CO 0.05 -0.32 0.48 0.00 0.00 0.00 0.00 179.25 179.46 3a1k h ARG 400 N 0.21 0.76 0.00 0.00 2.47 -0.96 0.40 114.38 117.26 3a1k h ARG 400 Ca 0.07 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3a1k h ARG 400 Cb 0.01 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.15 3a1k h ARG 400 CO -0.04 0.50 0.00 0.09 0.56 0.00 0.00 179.97 181.08 3a1k n ASN 401 N -4.75 0.00 -0.01 7.04 5.03 -0.78 -2.56 115.26 119.23 3a1k n ASN 401 Ca 0.14 0.35 0.10 0.00 0.87 0.00 0.00 54.58 56.04 3a1k n ASN 401 Cb 0.30 -0.43 -0.15 0.00 -1.02 0.00 0.00 39.78 38.48 3a1k n ASN 401 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3a1k n LEU 402 N -1.43 0.17 -0.22 3.41 4.77 0.07 -4.53 117.00 119.24 3a1k n LEU 402 Ca 0.05 -0.09 -0.01 0.00 -0.03 0.00 0.00 56.01 55.93 3a1k n LEU 402 Cb 0.18 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.37 3a1k n LEU 402 CO 0.15 0.04 1.06 0.58 -1.33 0.00 0.00 177.39 177.89 3a1k h VAL 403 N 0.00 0.91 -0.86 4.08 2.07 -1.12 -1.24 116.25 120.10 3a1k h VAL 403 Ca 0.00 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.44 3a1k h VAL 403 Cb 0.87 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 3a1k h VAL 403 CO 0.00 0.11 0.56 -0.65 0.02 0.00 0.00 177.57 177.61 3a1k h PRO 404 N 0.60 0.71 -0.30 1.57 0.11 -1.80 0.26 132.00 133.14 3a1k h PRO 404 Ca 0.30 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.23 3a1k h PRO 404 Cb 0.25 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3a1k h PRO 404 CO -0.22 0.47 -0.38 -0.07 -0.21 0.00 0.00 178.00 177.59 3a1k h LEU 405 N 0.73 0.75 -0.36 2.35 3.38 -1.53 0.22 115.31 120.85 3a1k h LEU 405 Ca 0.42 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3a1k h LEU 405 Cb 0.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3a1k h LEU 405 CO -0.18 1.05 -0.26 0.00 0.09 0.00 0.00 178.44 179.14 3a1k h ALA 406 N 0.99 0.52 -0.53 1.53 0.00 -0.54 -1.41 119.26 119.80 3a1k h ALA 406 Ca 0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3a1k h ALA 406 Cb 0.91 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3a1k h ALA 406 CO 0.08 0.52 0.15 -0.09 0.00 0.00 0.00 179.25 179.92 3a1k h ARG 407 N 0.60 0.84 -0.12 0.00 2.43 -0.39 -2.59 114.38 115.15 3a1k h ARG 407 Ca 0.07 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 3a1k h ARG 407 Cb 0.83 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3a1k h ARG 407 CO 0.07 0.78 -0.24 0.00 -1.51 0.00 0.00 179.97 179.07 3a1k h ALA 408 N 1.02 1.38 -0.09 2.80 0.00 -0.44 -1.73 119.26 122.20 3a1k h ALA 408 Ca 0.17 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a1k h ALA 408 Cb 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3a1k h ALA 408 CO -0.00 0.43 0.05 0.00 0.00 0.00 0.00 179.25 179.73 3a1k h ALA 409 N 1.57 0.11 -0.43 0.00 0.00 -0.87 -0.34 119.26 119.30 3a1k h ALA 409 Ca 0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3a1k h ALA 409 Cb 0.53 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3a1k h ALA 409 CO 0.04 -0.35 0.10 1.88 0.00 0.00 0.00 179.25 180.92 3a1k h TYR 410 N 0.04 0.72 0.00 0.00 0.05 -1.30 -2.75 116.97 113.73 3a1k h TYR 410 Ca 0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3a1k h TYR 410 Cb 0.08 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 3a1k h TYR 410 CO -0.04 0.68 -0.07 -0.44 -1.05 0.00 0.00 178.16 177.24 3a1k h ASP 411 N 0.56 0.00 -0.31 3.88 3.32 -1.12 0.15 116.42 122.89 3a1k h ASP 411 Ca 0.13 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 3a1k h ASP 411 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3a1k h ASP 411 CO 0.00 0.07 -0.44 0.74 -1.72 0.00 0.00 179.24 177.89 3a1k h THR 412 N 0.00 1.28 -0.29 0.35 2.02 -0.78 -2.41 112.91 113.09 3a1k h THR 412 Ca -0.00 -1.62 -0.11 0.00 0.77 0.00 0.00 66.41 65.45 3a1k h THR 412 Cb 0.13 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3a1k h THR 412 CO 0.01 0.53 -0.27 0.00 0.37 0.00 0.00 175.52 176.16 3a1k h ALA 413 N 0.70 0.99 0.00 6.16 0.00 -1.07 -2.20 119.26 123.86 3a1k h ALA 413 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3a1k h ALA 413 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3a1k h ALA 413 CO 0.10 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.23 3a1k n LEU 414 N -4.10 0.00 0.10 0.00 4.77 0.42 -1.01 117.00 117.18 3a1k n LEU 414 Ca -0.00 0.37 0.05 0.00 -0.03 0.00 0.00 56.01 56.39 3a1k n LEU 414 Cb 0.43 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3a1k n LEU 414 CO 0.43 -0.17 0.13 0.03 -1.33 0.00 0.00 177.39 176.48 3a1k h ARG 415 N 0.00 0.00 0.00 3.23 3.08 -0.89 -3.32 114.38 116.47 3a1k h ARG 415 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 3a1k h ARG 415 Cb 0.19 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 3a1k h ARG 415 CO 0.00 0.23 -1.86 1.04 -1.07 0.00 0.00 179.97 178.31 3a1k n GLN 416 N -2.95 0.65 -4.31 0.04 6.02 -0.46 -4.96 117.38 111.40 3a1k n GLN 416 Ca -0.02 0.19 -0.18 0.00 -0.01 0.00 0.00 57.00 56.98 3a1k n GLN 416 Cb 0.70 -1.72 -0.10 0.00 1.02 0.00 0.00 30.24 30.14 3a1k n GLN 416 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3a1k s PHE 417 N -2.63 1.60 0.03 1.08 0.40 -0.18 -4.90 117.98 113.37 3a1k s PHE 417 Ca -0.06 -0.58 -0.10 0.00 -0.60 0.00 0.00 56.93 55.58 3a1k s PHE 417 Cb 0.08 -0.78 -0.32 0.00 0.51 0.00 0.00 43.02 42.51 3a1k s PHE 417 CO 0.83 0.27 0.99 -0.44 0.70 0.00 0.00 175.22 177.57 3a1k h ASP 418 N 2.88 0.65 -5.18 1.36 3.32 -0.67 -3.38 116.42 115.40 3a1k h ASP 418 Ca -0.39 -0.74 -0.11 0.00 0.02 0.00 0.00 57.03 55.82 3a1k h ASP 418 Cb 1.21 -0.21 -0.15 0.00 0.22 0.00 0.00 39.33 40.40 3a1k h ASP 418 CO 0.58 1.59 -0.53 0.68 -1.72 0.00 0.00 179.24 179.84 3a1k s VAL 419 N -2.62 0.18 -0.02 -1.35 -7.23 -1.16 -4.54 120.40 103.67 3a1k s VAL 419 Ca -0.08 -1.44 0.06 0.00 -1.81 0.00 0.00 61.98 58.70 3a1k s VAL 419 Cb 0.05 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 3a1k s VAL 419 CO 0.91 -0.80 -0.19 -0.76 -0.31 0.00 0.00 175.10 173.95 3a1k s LEU 420 N -2.78 2.48 0.10 1.32 1.43 0.42 -1.21 118.68 120.44 3a1k s LEU 420 Ca 0.04 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 3a1k s LEU 420 Cb 0.05 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 3a1k s LEU 420 CO -0.10 0.32 -0.13 0.68 0.23 0.00 0.00 176.35 177.35 3a1k s VAL 421 N -0.73 1.21 0.05 -1.59 -7.23 0.54 -0.59 120.40 112.06 3a1k s VAL 421 Ca 0.12 -1.59 -0.28 0.00 -1.81 0.00 0.00 61.98 58.42 3a1k s VAL 421 Cb -0.10 -1.38 0.10 0.00 0.56 0.00 0.00 36.38 35.56 3a1k s VAL 421 CO 0.01 -0.38 1.18 0.00 -0.31 0.00 0.00 175.10 175.59 3a1k s MET 422 N -2.43 0.70 0.29 4.82 0.23 -0.93 -1.91 119.30 120.06 3a1k s MET 422 Ca 0.05 -0.40 -0.29 0.00 -1.03 0.00 0.00 55.69 54.02 3a1k s MET 422 Cb -0.06 0.22 -0.10 0.00 -1.53 0.00 0.00 34.83 33.37 3a1k s MET 422 CO 0.02 -0.32 1.29 -2.14 -2.03 0.00 0.00 175.02 171.84 3a1k s PRO 423 N -2.55 4.39 0.08 3.16 0.02 -1.26 -0.22 135.00 138.62 3a1k s PRO 423 Ca 0.16 2.13 -0.19 0.00 0.02 0.00 0.00 61.00 63.13 3a1k s PRO 423 Cb 0.02 -3.12 -0.10 0.00 0.02 0.00 0.00 34.50 31.33 3a1k s PRO 423 CO -0.01 -0.16 1.47 1.15 -0.33 0.00 0.00 177.00 179.12 3a1k h THR 424 N 3.23 1.28 -3.96 0.99 2.02 -1.54 -3.44 112.91 111.50 3a1k h THR 424 Ca -0.48 -1.04 -0.47 0.00 0.77 0.00 0.00 66.41 65.20 3a1k h THR 424 Cb 1.22 1.49 -0.22 0.00 -1.74 0.00 0.00 68.15 68.90 3a1k h THR 424 CO 0.69 0.32 -0.80 -0.76 0.37 0.00 0.00 175.52 175.34 3a1k s LEU 425 N -9.36 2.27 0.00 2.58 1.43 -1.26 -4.43 118.68 109.91 3a1k s LEU 425 Ca -0.14 -0.62 0.30 0.00 -1.03 0.00 0.00 54.13 52.64 3a1k s LEU 425 Cb 0.07 -0.65 1.39 0.00 0.03 0.00 0.00 46.19 47.03 3a1k s LEU 425 CO 0.75 -0.02 1.95 -0.81 0.23 0.00 0.00 176.35 178.45 3a1k n PRO 426 N 1.30 0.88 -3.80 1.29 -0.04 -1.26 -4.87 135.00 128.50 3a1k n PRO 426 Ca -0.20 -0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 62.91 3a1k n PRO 426 Cb 0.54 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 3a1k n PRO 426 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3a1k s TYR 427 N -2.30 -0.09 0.51 0.54 -0.85 -1.26 -0.38 117.35 113.51 3a1k s TYR 427 Ca 0.35 -0.29 -0.06 0.00 -0.52 0.00 0.00 57.07 56.55 3a1k s TYR 427 Cb 0.21 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 43.00 3a1k s TYR 427 CO 0.43 -1.04 0.84 0.14 -1.52 0.00 0.00 175.55 174.39 3a1k s VAL 428 N -3.91 4.76 -0.28 -3.49 -7.23 -1.26 -4.96 120.40 104.04 3a1k s VAL 428 Ca 0.12 0.29 -0.41 0.00 -1.81 0.00 0.00 61.98 60.16 3a1k s VAL 428 Cb -0.03 -3.83 -0.17 0.00 0.56 0.00 0.00 36.38 32.91 3a1k s VAL 428 CO 0.02 -0.86 1.65 0.00 -0.31 0.00 0.00 175.10 175.60 3a1k n ALA 429 N -2.37 -0.66 -2.30 1.32 0.00 -1.26 -4.94 120.51 110.30 3a1k n ALA 429 Ca 0.02 0.43 -0.21 0.00 0.00 0.00 0.00 53.44 53.68 3a1k n ALA 429 Cb 0.55 -2.13 0.01 0.00 0.00 0.00 0.00 19.45 17.88 3a1k n ALA 429 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3a1k s SER 430 N 2.99 5.79 0.50 0.00 1.04 -1.26 -4.72 113.70 118.04 3a1k s SER 430 Ca 0.98 0.03 -0.22 0.00 0.48 0.00 0.00 55.95 57.23 3a1k s SER 430 Cb -1.16 -1.28 -0.06 0.00 0.10 0.00 0.00 66.02 63.62 3a1k s SER 430 CO 0.67 -0.67 1.20 -1.61 0.98 0.00 0.00 173.24 173.81 3a1k s GLU 431 N -4.44 3.48 0.46 4.02 2.02 -1.26 -0.29 118.70 122.69 3a1k s GLU 431 Ca 0.49 1.84 -0.24 0.00 0.02 0.00 0.00 54.97 57.08 3a1k s GLU 431 Cb -0.10 -2.26 -0.07 0.00 0.10 0.00 0.00 34.13 31.80 3a1k s GLU 431 CO 0.35 -0.80 1.25 -0.51 0.02 0.00 0.00 175.26 175.58 3a1k s LEU 432 N -3.37 4.06 0.68 1.80 2.01 -0.12 -4.72 118.68 119.02 3a1k s LEU 432 Ca 0.68 2.53 -0.13 0.00 0.01 0.00 0.00 54.13 57.22 3a1k s LEU 432 Cb -0.30 -4.12 0.01 0.00 0.01 0.00 0.00 46.19 41.79 3a1k s LEU 432 CO 0.36 -1.02 1.09 -2.16 1.01 0.00 0.00 176.35 175.63 3a1k s PRO 433 N -2.56 2.76 0.35 1.29 0.04 -1.26 -5.01 135.00 130.62 3a1k s PRO 433 Ca 0.63 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.67 3a1k s PRO 433 Cb -0.35 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 3a1k s PRO 433 CO 0.43 -1.26 0.93 0.00 0.04 0.00 0.00 177.00 177.13 3a1k s ALA 434 N -2.61 3.17 -0.60 8.56 0.00 -1.26 -4.89 121.76 124.14 3a1k s ALA 434 Ca 0.64 0.44 -0.26 0.00 0.00 0.00 0.00 51.96 52.78 3a1k s ALA 434 Cb -0.18 -3.14 -0.23 0.00 0.00 0.00 0.00 23.12 19.57 3a1k s ALA 434 CO 0.46 0.17 1.83 1.63 0.00 0.00 0.00 175.76 179.86 3a1k n LYS 435 N 0.13 0.84 0.00 0.00 4.76 -1.26 -0.52 118.16 122.11 3a1k n LYS 435 Ca 0.03 -1.63 0.00 0.00 -2.87 0.00 0.00 58.31 53.85 3a1k n LYS 435 Cb 0.52 -3.00 0.00 0.00 -1.84 0.00 0.00 35.03 30.70 3a1k n LYS 435 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3a1k n ASP 436 N 10.39 0.00 -4.47 4.39 4.64 -1.26 -5.15 116.55 125.08 3a1k n ASP 436 Ca 0.47 -0.04 -0.38 0.00 -1.38 0.00 0.00 54.79 53.46 3a1k n ASP 436 Cb 0.43 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.54 3a1k n ASP 436 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3a1k n VAL 437 N 0.00 2.24 -2.95 5.18 0.31 0.32 -4.95 118.33 118.48 3a1k n VAL 437 Ca 0.00 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.43 3a1k n VAL 437 Cb 0.02 -0.68 -0.05 0.00 -0.91 0.00 0.00 33.84 32.21 3a1k n VAL 437 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3a1k s ASP 438 N -1.15 7.32 0.34 4.52 2.15 -1.26 -4.91 116.67 123.68 3a1k s ASP 438 Ca 0.68 1.57 0.11 0.00 0.43 0.00 0.00 52.55 55.34 3a1k s ASP 438 Cb -0.46 -2.50 0.90 0.00 -0.30 0.00 0.00 42.92 40.57 3a1k s ASP 438 CO 0.55 0.08 1.77 -0.09 -0.17 0.00 0.00 175.17 177.30 3a1k h ARG 439 N 5.15 0.57 -0.29 4.34 2.43 -1.98 0.49 114.38 125.09 3a1k h ARG 439 Ca -0.45 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.51 3a1k h ARG 439 Cb 1.21 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3a1k h ARG 439 CO 0.69 0.38 -0.52 0.00 -1.51 0.00 0.00 179.97 179.01 3a1k h ALA 440 N 1.66 0.53 -0.38 2.80 0.00 -2.00 -2.04 119.26 119.83 3a1k h ALA 440 Ca 0.60 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3a1k h ALA 440 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3a1k h ALA 440 CO -0.38 0.68 -0.01 1.15 0.00 0.00 0.00 179.25 180.70 3a1k h THR 441 N 0.65 1.26 -0.08 0.00 2.02 -1.34 -2.33 112.91 113.09 3a1k h THR 441 Ca 0.02 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.23 3a1k h THR 441 Cb 1.11 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 68.62 3a1k h THR 441 CO 0.11 0.34 -0.36 0.15 0.37 0.00 0.00 175.52 176.13 3a1k h PHE 442 N 0.50 -1.02 -0.23 3.16 3.04 -0.03 0.12 116.94 122.48 3a1k h PHE 442 Ca 0.11 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 3a1k h PHE 442 Cb 0.48 0.46 -0.01 0.00 2.56 0.00 0.00 35.95 39.44 3a1k h PHE 442 CO 0.04 -0.44 0.14 0.82 -2.02 0.00 0.00 178.31 176.85 3a1k h ILE 443 N -0.47 1.09 -0.57 1.41 2.04 -1.30 0.10 117.51 119.80 3a1k h ILE 443 Ca 0.08 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3a1k h ILE 443 Cb 0.59 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3a1k h ILE 443 CO -0.34 0.08 0.10 0.74 0.00 0.00 0.00 178.15 178.73 3a1k h THR 444 N 0.29 1.24 0.00 -0.27 2.02 -1.19 -0.96 112.91 114.04 3a1k h THR 444 Ca 0.08 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3a1k h THR 444 Cb 0.01 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3a1k h THR 444 CO -0.02 0.34 0.00 0.50 0.37 0.00 0.00 175.52 176.71 3a1k h LYS 445 N 0.86 0.00 0.01 6.66 1.63 -0.57 -0.94 116.57 124.21 3a1k h LYS 445 Ca 0.18 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.67 3a1k h LYS 445 Cb 0.37 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.95 3a1k h LYS 445 CO 0.01 0.00 -1.79 0.00 -3.45 0.00 0.00 179.45 174.21 3a1k n ALA 446 N -1.95 1.44 -1.11 5.00 0.00 0.01 -4.56 120.51 119.34 3a1k n ALA 446 Ca 0.04 -0.80 0.05 0.00 0.00 0.00 0.00 53.44 52.73 3a1k n ALA 446 Cb 0.46 -0.78 0.07 0.00 0.00 0.00 0.00 19.45 19.20 3a1k n ALA 446 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a1k n LEU 447 N -3.06 1.50 -0.43 0.00 4.32 -0.40 0.96 117.00 119.89 3a1k n LEU 447 Ca -0.20 -2.11 0.14 0.00 -0.02 0.00 0.00 56.01 53.82 3a1k n LEU 447 Cb 1.06 -0.21 0.55 0.00 -1.62 0.00 0.00 43.42 43.20 3a1k n LEU 447 CO 0.44 0.50 0.88 0.61 -1.22 0.00 0.00 177.39 178.60 3a1k n GLY 448 N -0.79 -0.08 0.60 -0.72 0.00 -0.36 -4.05 105.19 99.79 3a1k n GLY 448 Ca 0.08 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.75 3a1k n GLY 448 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3a1k n MET 449 N 0.06 2.78 -0.40 1.61 0.00 -1.26 -4.65 117.12 115.27 3a1k n MET 449 Ca 0.19 -2.28 0.11 0.00 0.00 0.00 0.00 57.70 55.71 3a1k n MET 449 Cb 0.32 -1.44 0.31 0.00 0.00 0.00 0.00 33.22 32.41 3a1k n MET 449 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 3a1k n ILE 450 N -0.11 1.15 -0.19 3.17 -5.35 -1.26 -4.63 119.36 112.14 3a1k n ILE 450 Ca 0.14 -1.04 0.04 0.00 -0.27 0.00 0.00 62.75 61.61 3a1k n ILE 450 Cb 0.57 0.43 0.31 0.00 -1.74 0.00 0.00 39.64 39.22 3a1k n ILE 450 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a1k h ALA 451 N 4.04 1.59 0.00 -1.28 0.00 -1.88 -1.82 119.26 119.91 3a1k h ALA 451 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 3a1k h ALA 451 Cb 1.05 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3a1k h ALA 451 CO 0.04 0.33 -1.80 0.09 0.00 0.00 0.00 179.25 177.91 3a1k n ASN 452 N -4.46 0.70 -0.04 0.00 3.02 -1.26 -4.50 115.26 108.72 3a1k n ASN 452 Ca 0.09 0.33 -0.15 0.00 -0.03 0.00 0.00 54.58 54.82 3a1k n ASN 452 Cb 0.13 0.19 -0.13 0.00 -0.61 0.00 0.00 39.78 39.36 3a1k n ASN 452 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3a1k h THR 453 N 0.00 1.69 -0.98 3.41 1.35 -1.75 -3.38 112.91 113.25 3a1k h THR 453 Ca -0.31 -2.25 0.18 0.00 -0.55 0.00 0.00 66.41 63.47 3a1k h THR 453 Cb 1.99 3.20 -0.09 0.00 -1.73 0.00 0.00 68.15 71.51 3a1k h THR 453 CO 0.06 0.60 0.61 0.00 -0.25 0.00 0.00 175.52 176.55 3a1k h ALA 454 N 0.08 1.77 -0.92 6.62 0.00 -1.06 -2.48 119.26 123.28 3a1k h ALA 454 Ca -0.03 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.08 3a1k h ALA 454 Cb 1.08 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 3a1k h ALA 454 CO 0.03 -0.10 0.59 -1.35 0.00 0.00 0.00 179.25 178.42 3a1k h PRO 455 N 0.73 0.74 0.00 0.00 0.11 -1.79 -0.11 132.00 131.68 3a1k h PRO 455 Ca 0.54 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3a1k h PRO 455 Cb 0.89 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3a1k h PRO 455 CO -0.31 0.49 0.00 1.19 -0.21 0.00 0.00 178.00 179.16 3a1k n PHE 456 N -4.58 0.62 0.07 0.65 3.01 -0.93 -1.87 117.46 114.42 3a1k n PHE 456 Ca 0.18 0.20 -0.12 0.00 1.01 0.00 0.00 57.45 58.72 3a1k n PHE 456 Cb 0.45 -0.82 -0.03 0.00 -0.01 0.00 0.00 39.48 39.07 3a1k n PHE 456 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3a1k h ASP 457 N 0.00 0.45 0.61 4.37 5.19 -1.07 0.46 116.42 126.43 3a1k h ASP 457 Ca 0.00 -0.36 -0.28 0.00 -0.62 0.00 0.00 57.03 55.78 3a1k h ASP 457 Cb 0.55 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.93 3a1k h ASP 457 CO 0.00 1.15 -1.27 1.62 -3.12 0.00 0.00 179.24 177.62 3a1k h VAL 458 N 0.20 1.47 0.00 -1.35 3.04 -1.28 -3.30 116.25 115.04 3a1k h VAL 458 Ca -0.06 -3.04 -0.08 0.00 -1.01 0.00 0.00 66.70 62.50 3a1k h VAL 458 Cb 1.53 2.94 -0.01 0.00 -2.01 0.00 0.00 31.29 33.73 3a1k h VAL 458 CO 0.15 0.89 -0.70 0.71 -1.01 0.00 0.00 177.57 177.60 3a1k h THR 459 N 0.08 0.44 0.00 3.17 1.35 -1.45 -3.49 112.91 113.02 3a1k h THR 459 Ca -0.14 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 3a1k h THR 459 Cb 1.98 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 70.48 3a1k h THR 459 CO 0.20 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 3a1k n GLY 460 N 1.23 1.02 3.76 5.82 0.00 0.15 -4.97 105.19 112.20 3a1k n GLY 460 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3a1k n GLY 460 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a1k n HIS 461 N -2.00 2.57 -1.97 1.61 8.25 -1.22 -1.25 115.22 121.21 3a1k n HIS 461 Ca 0.00 0.44 -0.40 0.00 -0.26 0.00 0.00 57.72 57.50 3a1k n HIS 461 Cb 0.00 -2.43 -0.00 0.00 1.12 0.00 0.00 29.99 28.68 3a1k n HIS 461 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3a1k s PRO 462 N -2.58 3.97 -0.11 -0.41 0.04 -1.25 -4.70 135.00 129.97 3a1k s PRO 462 Ca 0.64 2.28 -0.04 0.00 0.04 0.00 0.00 61.00 63.92 3a1k s PRO 462 Cb -0.44 -2.80 0.06 0.00 0.04 0.00 0.00 34.50 31.35 3a1k s PRO 462 CO 0.55 -0.53 0.22 0.45 0.04 0.00 0.00 177.00 177.73 3a1k s SER 463 N -0.58 0.44 -0.07 6.66 0.15 0.00 -2.26 113.70 118.04 3a1k s SER 463 Ca 0.56 0.48 0.02 0.00 0.70 0.00 0.00 55.95 57.71 3a1k s SER 463 Cb -0.41 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.38 3a1k s SER 463 CO 0.53 -0.23 -0.12 -0.22 1.20 0.00 0.00 173.24 174.40 3a1k s LEU 464 N 2.24 2.87 -0.21 3.45 2.96 0.12 -0.82 118.68 129.28 3a1k s LEU 464 Ca 0.01 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3a1k s LEU 464 Cb -0.12 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 3a1k s LEU 464 CO -0.07 0.31 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.64 3a1k s SER 465 N -0.50 4.05 -0.01 3.68 0.15 0.13 0.11 113.70 121.31 3a1k s SER 465 Ca 0.07 -0.44 0.07 0.00 0.70 0.00 0.00 55.95 56.36 3a1k s SER 465 Cb -0.12 -1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 3a1k s SER 465 CO 0.02 -0.00 -0.24 0.68 1.20 0.00 0.00 173.24 174.90 3a1k s VAL 466 N 1.36 1.89 -0.05 4.45 -7.23 -0.41 -2.07 120.40 118.35 3a1k s VAL 466 Ca 0.04 -1.05 -0.33 0.00 -1.81 0.00 0.00 61.98 58.83 3a1k s VAL 466 Cb -0.14 -1.57 -0.11 0.00 0.56 0.00 0.00 36.38 35.11 3a1k s VAL 466 CO -0.05 0.51 1.88 -2.65 -0.31 0.00 0.00 175.10 174.48 3a1k n PRO 467 N 2.42 2.32 -0.02 4.82 -0.02 -1.26 -1.13 135.00 142.13 3a1k n PRO 467 Ca -0.16 0.85 -0.03 0.00 -2.02 0.00 0.00 63.50 62.14 3a1k n PRO 467 Cb 0.52 -2.71 -0.12 0.00 -0.02 0.00 0.00 33.50 31.16 3a1k n PRO 467 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a1k n ALA 468 N 6.57 1.86 0.00 3.55 0.00 -0.02 -4.83 120.51 127.64 3a1k n ALA 468 Ca 0.22 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3a1k n ALA 468 Cb 0.32 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3a1k n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1k n GLY 469 N 1.50 -0.95 3.34 0.00 0.00 -1.20 -4.97 105.19 102.92 3a1k n GLY 469 Ca -0.17 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 3a1k n GLY 469 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1k s LEU 470 N 0.00 2.19 -0.13 0.99 1.43 -1.26 -1.71 118.68 120.19 3a1k s LEU 470 Ca 0.00 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 3a1k s LEU 470 Cb 0.00 -1.24 0.04 0.00 0.03 0.00 0.00 46.19 45.02 3a1k s LEU 470 CO 0.00 0.24 0.02 -0.69 0.23 0.00 0.00 176.35 176.15 3a1k s VAL 471 N -0.85 0.40 -1.39 -1.59 1.01 0.09 -4.73 120.40 113.35 3a1k s VAL 471 Ca 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3a1k s VAL 471 Cb -0.10 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3a1k s VAL 471 CO 0.03 0.04 0.57 0.59 0.00 0.00 0.00 175.10 176.33 3a1k n ASN 472 N 5.12 -5.68 0.00 3.32 3.02 -1.26 -1.96 115.26 117.82 3a1k n ASN 472 Ca -0.08 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 3a1k n ASN 472 Cb 0.49 -4.50 0.00 0.00 -0.61 0.00 0.00 39.78 35.16 3a1k n ASN 472 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a1k n GLY 473 N -1.47 0.55 3.52 7.41 0.00 -1.26 -5.01 105.19 108.93 3a1k n GLY 473 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3a1k n GLY 473 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a1k s LEU 474 N 0.00 2.83 0.51 0.99 1.43 -0.83 -5.03 118.68 118.58 3a1k s LEU 474 Ca 0.00 -0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 3a1k s LEU 474 Cb 0.00 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 3a1k s LEU 474 CO 0.00 0.19 1.22 -2.84 0.23 0.00 0.00 176.35 175.15 3a1k s PRO 475 N -2.09 3.46 0.04 1.29 0.02 -1.26 -0.73 135.00 135.73 3a1k s PRO 475 Ca 0.19 1.90 0.03 0.00 0.02 0.00 0.00 61.00 63.14 3a1k s PRO 475 Cb -0.11 -2.28 -0.02 0.00 0.02 0.00 0.00 34.50 32.11 3a1k s PRO 475 CO 0.11 -0.83 -0.10 0.14 -0.33 0.00 0.00 177.00 175.99 3a1k s VAL 476 N -1.50 0.73 0.10 3.83 -7.23 -0.70 -4.62 120.40 111.01 3a1k s VAL 476 Ca 0.68 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.90 3a1k s VAL 476 Cb -0.32 -0.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 3a1k s VAL 476 CO 0.38 -0.24 -0.20 -0.83 -0.31 0.00 0.00 175.10 173.90 3a1k s GLY 477 N -1.40 1.18 -0.13 2.32 0.00 -1.26 -0.84 107.32 107.19 3a1k s GLY 477 Ca -0.05 -1.21 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 3a1k s GLY 477 CO 0.01 -1.21 0.04 -0.29 0.00 0.00 0.00 173.10 171.65 3a1k s MET 478 N -1.87 3.48 -0.19 2.90 1.75 -0.28 -1.42 119.30 123.67 3a1k s MET 478 Ca 0.05 -0.36 -0.06 0.00 -1.25 0.00 0.00 55.69 54.08 3a1k s MET 478 Cb -0.10 -3.01 -0.03 0.00 2.84 0.00 0.00 34.83 34.52 3a1k s MET 478 CO 0.04 0.51 0.03 1.41 -0.65 0.00 0.00 175.02 176.36 3a1k s MET 479 N -0.33 3.78 -0.19 4.11 1.75 0.70 -1.28 119.30 127.83 3a1k s MET 479 Ca 0.08 -0.44 -0.04 0.00 -1.25 0.00 0.00 55.69 54.04 3a1k s MET 479 Cb -0.12 -3.13 -0.02 0.00 2.84 0.00 0.00 34.83 34.40 3a1k s MET 479 CO 0.02 0.14 -0.04 0.42 -0.65 0.00 0.00 175.02 174.91 3a1k s ILE 480 N 0.69 3.58 -0.02 10.11 1.01 0.12 -2.20 121.20 134.49 3a1k s ILE 480 Ca 0.01 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.27 3a1k s ILE 480 Cb -0.14 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 3a1k s ILE 480 CO 0.02 0.45 -0.16 -0.89 0.00 0.00 0.00 174.94 174.36 3a1k s THR 481 N 0.99 1.29 0.00 2.92 2.01 0.24 0.10 115.64 123.20 3a1k s THR 481 Ca 0.00 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.32 3a1k s THR 481 Cb -0.15 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.28 3a1k s THR 481 CO 0.01 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 3a1k n GLY 482 N 2.78 4.40 3.74 4.40 0.00 -0.96 -0.44 105.19 119.12 3a1k n GLY 482 Ca -0.15 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 3a1k n GLY 482 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1k s ARG 483 N -1.39 2.55 0.22 1.61 0.52 -1.26 -3.84 118.95 117.36 3a1k s ARG 483 Ca 0.00 1.67 -0.32 0.00 -0.52 0.00 0.00 55.73 56.56 3a1k s ARG 483 Cb 0.00 -1.89 -0.14 0.00 0.52 0.00 0.00 34.95 33.44 3a1k s ARG 483 CO 0.00 -1.50 1.44 0.72 0.02 0.00 0.00 175.30 175.98 3a1k n HIS 484 N -2.33 2.16 -1.58 -0.53 8.25 -1.26 -1.27 115.22 118.65 3a1k n HIS 484 Ca 0.13 0.41 -0.17 0.00 -0.26 0.00 0.00 57.72 57.82 3a1k n HIS 484 Cb 0.51 -2.47 -0.07 0.00 1.12 0.00 0.00 29.99 29.07 3a1k n HIS 484 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3a1k n PHE 485 N 2.26 -0.07 -1.64 4.41 3.72 -1.26 -4.85 117.46 120.02 3a1k n PHE 485 Ca 0.13 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.31 3a1k n PHE 485 Cb 0.30 -3.04 0.09 0.00 -0.94 0.00 0.00 39.48 35.89 3a1k n PHE 485 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3a1k n ASP 486 N -0.87 5.11 -0.06 4.37 4.64 -0.40 -4.69 116.55 124.65 3a1k n ASP 486 Ca -0.18 -3.77 0.14 0.00 -1.38 0.00 0.00 54.79 49.60 3a1k n ASP 486 Cb 0.58 -0.63 0.55 0.00 -1.04 0.00 0.00 41.12 40.58 3a1k n ASP 486 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 3a1k h ASP 487 N 1.78 0.27 -0.33 1.67 5.19 -1.89 -2.23 116.42 120.88 3a1k h ASP 487 Ca 0.42 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.86 3a1k h ASP 487 Cb 1.40 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.83 3a1k h ASP 487 CO 0.94 0.16 0.15 0.00 -3.12 0.00 0.00 179.24 177.36 3a1k h ALA 488 N 1.71 0.40 -0.48 3.45 0.00 -1.86 0.60 119.26 123.07 3a1k h ALA 488 Ca 0.27 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3a1k h ALA 488 Cb 0.68 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3a1k h ALA 488 CO -0.06 -0.24 -0.17 1.15 0.00 0.00 0.00 179.25 179.93 3a1k h THR 489 N 0.31 1.27 -0.36 0.00 2.02 -1.79 0.94 112.91 115.29 3a1k h THR 489 Ca 0.14 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 3a1k h THR 489 Cb 0.08 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3a1k h THR 489 CO -0.12 0.46 0.21 0.58 0.37 0.00 0.00 175.52 177.02 3a1k h VAL 490 N 0.83 1.13 -0.53 3.16 2.07 -1.16 -0.01 116.25 121.74 3a1k h VAL 490 Ca 0.12 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 3a1k h VAL 490 Cb 0.73 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3a1k h VAL 490 CO 0.06 0.13 0.12 -0.07 0.02 0.00 0.00 177.57 177.83 3a1k h LEU 491 N 0.47 0.82 -0.35 2.57 3.38 -0.70 -1.14 115.31 120.36 3a1k h LEU 491 Ca 0.13 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3a1k h LEU 491 Cb 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3a1k h LEU 491 CO -0.02 0.84 0.18 -0.09 0.09 0.00 0.00 178.44 179.44 3a1k h ARG 492 N 0.75 0.36 -0.87 1.13 2.43 -0.38 0.38 114.38 118.18 3a1k h ARG 492 Ca 0.17 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3a1k h ARG 492 Cb 0.35 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3a1k h ARG 492 CO 0.00 0.24 0.47 0.28 -1.51 0.00 0.00 179.97 179.45 3a1k h VAL 493 N 0.37 1.26 -0.73 0.20 2.07 -0.87 0.11 116.25 118.67 3a1k h VAL 493 Ca 0.14 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 3a1k h VAL 493 Cb 0.04 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 3a1k h VAL 493 CO -0.09 0.29 0.25 1.23 0.02 0.00 0.00 177.57 179.28 3a1k h GLY 494 N 1.23 1.19 0.95 2.17 0.00 -0.31 -0.61 103.07 107.69 3a1k h GLY 494 Ca 0.31 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3a1k h GLY 494 CO -0.05 0.64 0.04 -0.09 0.00 0.00 0.00 176.54 177.08 3a1k h ARG 495 N 1.06 0.71 -0.58 4.80 9.65 0.41 -1.95 114.38 128.47 3a1k h ARG 495 Ca 0.24 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3a1k h ARG 495 Cb 0.27 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 3a1k h ARG 495 CO -0.01 0.77 0.37 0.00 2.80 0.00 0.00 179.97 183.90 3a1k h ALA 496 N 0.91 0.73 -0.75 2.80 0.00 -0.49 -2.37 119.26 120.09 3a1k h ALA 496 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3a1k h ALA 496 Cb 0.42 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3a1k h ALA 496 CO 0.01 0.14 0.40 0.35 0.00 0.00 0.00 179.25 180.16 3a1k h PHE 497 N 0.76 1.04 -0.71 0.00 3.04 -0.92 -2.02 116.94 118.13 3a1k h PHE 497 Ca 0.22 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.10 3a1k h PHE 497 Cb -0.06 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.09 3a1k h PHE 497 CO -0.04 0.73 0.30 0.93 -2.02 0.00 0.00 178.31 178.22 3a1k h GLU 498 N 1.04 1.04 -0.49 1.11 5.08 -1.02 0.28 114.58 121.61 3a1k h GLU 498 Ca 0.26 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3a1k h GLU 498 Cb 0.05 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3a1k h GLU 498 CO -0.04 0.83 0.14 0.87 -1.00 0.00 0.00 179.01 179.81 3a1k h LYS 499 N 1.02 0.77 -0.24 2.33 1.57 -1.09 0.52 116.57 121.45 3a1k h LYS 499 Ca 0.24 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3a1k h LYS 499 Cb 0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3a1k h LYS 499 CO -0.02 0.73 -0.14 1.25 -0.57 0.00 0.00 179.45 180.69 3a1k h LEU 500 N 0.66 0.54 -1.27 2.94 5.85 -1.04 -3.08 115.31 119.92 3a1k h LEU 500 Ca 0.16 -0.43 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 3a1k h LEU 500 Cb 0.29 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3a1k h LEU 500 CO -0.00 0.85 -0.34 -0.09 -0.34 0.00 0.00 178.44 178.52 3a1k h ARG 501 N 0.24 0.05 0.00 1.25 2.43 -0.31 -3.49 114.38 114.54 3a1k h ARG 501 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3a1k h ARG 501 Cb 0.66 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3a1k h ARG 501 CO 0.04 0.38 0.00 0.41 -1.51 0.00 0.00 179.97 179.29 3a1k n GLY 502 N -0.53 -0.69 3.60 2.80 0.00 0.18 -4.91 105.19 105.65 3a1k n GLY 502 Ca -0.02 -1.68 -0.46 0.00 0.00 0.00 0.00 46.02 43.85 3a1k n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1k n ALA 503 N -0.73 -0.23 -2.70 4.61 0.00 -1.26 -4.82 120.51 115.38 3a1k n ALA 503 Ca 0.00 0.43 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 3a1k n ALA 503 Cb 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 19.45 17.30 3a1k n ALA 503 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3a1k s PHE 504 N -0.51 3.40 0.55 0.00 2.19 -1.26 -5.06 117.98 117.29 3a1k s PHE 504 Ca 0.67 0.46 -0.20 0.00 0.33 0.00 0.00 56.93 58.19 3a1k s PHE 504 Cb -0.76 -2.33 -0.07 0.00 -1.31 0.00 0.00 43.02 38.56 3a1k s PHE 504 CO 0.55 0.16 0.85 -0.35 1.83 0.00 0.00 175.22 178.26 3a1k n PRO 505 N 3.90 0.88 -3.82 10.12 -0.04 -1.26 -5.01 135.00 139.77 3a1k n PRO 505 Ca -0.13 0.33 -0.35 0.00 -0.04 0.00 0.00 63.50 63.31 3a1k n PRO 505 Cb 0.52 -2.00 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 3a1k n PRO 505 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3a1k s THR 506 N -1.52 5.39 0.65 0.52 2.01 -1.26 -4.96 115.64 116.46 3a1k s THR 506 Ca 0.71 0.17 0.32 0.00 0.31 0.00 0.00 61.69 63.20 3a1k s THR 506 Cb -0.46 -3.51 0.32 0.00 0.01 0.00 0.00 72.50 68.87 3a1k s THR 506 CO 0.51 0.47 1.99 1.55 -0.69 0.00 0.00 174.62 178.45 3a1k h PRO 507 N 4.38 0.00 -1.02 4.92 0.13 -1.90 0.15 132.00 138.66 3a1k h PRO 507 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3a1k h PRO 507 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3a1k h PRO 507 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 3a1k n ALA 508 N -1.91 2.36 -1.31 -0.56 0.00 -1.26 -4.89 120.51 112.93 3a1k n ALA 508 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3a1k n ALA 508 Cb 0.32 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3a1k n ALA 508 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89