#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x39 s TYR 2 N 0.00 2.90 -0.40 -0.67 5.04 -1.26 -4.98 117.35 117.98 1x39 s TYR 2 Ca 0.00 0.80 -0.03 0.00 -2.44 0.00 0.00 57.07 55.40 1x39 s TYR 2 Cb 0.00 -3.97 0.11 0.00 0.35 0.00 0.00 41.96 38.44 1x39 s TYR 2 CO 0.00 -3.33 0.19 0.08 -1.34 0.00 0.00 175.55 171.15 1x39 s VAL 3 N 0.27 3.25 0.22 3.14 1.01 -1.26 -5.00 120.40 122.03 1x39 s VAL 3 Ca 0.64 -2.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.51 1x39 s VAL 3 Cb -0.45 -3.22 0.16 0.00 0.00 0.00 0.00 36.38 32.87 1x39 s VAL 3 CO 0.42 -0.66 1.82 0.25 0.00 0.00 0.00 175.10 176.94 1x39 h LEU 4 N 8.04 0.63 -2.29 3.92 6.46 -1.95 -2.51 115.31 127.60 1x39 h LEU 4 Ca -0.13 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1x39 h LEU 4 Cb 1.05 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1x39 h LEU 4 CO 0.68 0.41 -0.04 0.10 -0.62 0.00 0.00 178.44 178.97 1x39 h TYR 5 N 0.76 0.00 -0.00 1.25 -0.00 -1.88 -0.22 116.97 116.88 1x39 h TYR 5 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.04 1x39 h TYR 5 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.89 1x39 h TYR 5 CO -0.06 0.04 -0.08 1.63 -0.00 0.00 0.00 178.16 179.68 1x39 n LYS 6 N -3.34 0.61 -3.04 0.10 5.02 -0.95 -4.77 118.16 111.79 1x39 n LYS 6 Ca -0.02 -0.16 -0.43 0.00 -2.02 0.00 0.00 58.31 55.68 1x39 n LYS 6 Cb 0.17 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 1x39 n LYS 6 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x39 s ASP 7 N -2.50 6.27 0.49 4.39 -1.08 -0.10 -4.92 116.67 119.22 1x39 s ASP 7 Ca 0.29 -0.69 0.33 0.00 -0.52 0.00 0.00 52.55 51.96 1x39 s ASP 7 Cb 0.20 -2.34 1.71 0.00 -1.46 0.00 0.00 42.92 41.03 1x39 s ASP 7 CO 0.47 -1.00 2.01 0.00 0.52 0.00 0.00 175.17 177.17 1x39 h ALA 8 N 9.10 1.00 -0.00 3.66 0.00 -1.86 -2.02 119.26 129.15 1x39 h ALA 8 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1x39 h ALA 8 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x39 h ALA 8 CO 1.00 0.00 -0.12 0.25 0.00 0.00 0.00 179.25 180.38 1x39 n THR 9 N -2.73 0.00 -3.32 0.00 -2.24 -1.26 -4.91 114.28 99.82 1x39 n THR 9 Ca -0.01 -0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1x39 n THR 9 Cb 0.11 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 1x39 n THR 9 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1x39 s LYS 10 N -2.93 3.86 0.39 -0.78 -0.14 -0.76 -5.03 119.74 114.35 1x39 s LYS 10 Ca 0.15 0.39 -0.27 0.00 -1.36 0.00 0.00 55.97 54.89 1x39 s LYS 10 Cb 0.19 -2.58 -0.11 0.00 -1.68 0.00 0.00 37.83 33.66 1x39 s LYS 10 CO 0.56 0.26 1.35 -2.30 -0.76 0.00 0.00 175.35 174.46 1x39 n PRO 11 N -0.24 2.21 -0.19 -1.68 -0.02 -1.26 -4.80 135.00 129.02 1x39 n PRO 11 Ca 0.01 0.78 -0.03 0.00 -2.02 0.00 0.00 63.50 62.25 1x39 n PRO 11 Cb 0.53 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.58 1x39 n PRO 11 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1x39 h VAL 12 N 2.46 0.33 -0.39 -1.45 2.07 -1.96 -0.89 116.25 116.43 1x39 h VAL 12 Ca -0.48 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1x39 h VAL 12 Cb 1.28 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1x39 h VAL 12 CO 0.62 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 178.00 1x39 h GLU 13 N -0.06 0.56 -0.33 1.57 4.39 -1.98 0.15 114.58 118.87 1x39 h GLU 13 Ca 0.27 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 1x39 h GLU 13 Cb 0.48 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1x39 h GLU 13 CO -0.62 0.49 -0.06 -0.44 -1.16 0.00 0.00 179.01 177.21 1x39 h ASP 14 N 0.55 0.63 -0.46 1.42 3.45 -1.63 -1.38 116.42 119.01 1x39 h ASP 14 Ca 0.13 -0.35 -0.03 0.00 0.43 0.00 0.00 57.03 57.21 1x39 h ASP 14 Cb 0.16 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 1x39 h ASP 14 CO -0.01 0.84 0.17 0.03 -1.57 0.00 0.00 179.24 178.71 1x39 h ARG 15 N 0.42 0.70 0.04 3.56 3.08 -0.60 -1.20 114.38 120.37 1x39 h ARG 15 Ca 0.09 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1x39 h ARG 15 Cb 0.55 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1x39 h ARG 15 CO 0.03 0.64 -0.13 0.28 -1.07 0.00 0.00 179.97 179.72 1x39 h VAL 16 N 0.60 0.69 -0.97 2.04 2.07 -0.69 -1.51 116.25 118.48 1x39 h VAL 16 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 1x39 h VAL 16 Cb 0.21 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1x39 h VAL 16 CO -0.01 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.22 1x39 h ALA 17 N 0.69 1.23 -0.36 1.67 0.00 -1.14 -0.63 119.26 120.72 1x39 h ALA 17 Ca 0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1x39 h ALA 17 Cb 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1x39 h ALA 17 CO -0.10 0.63 -0.13 0.22 0.00 0.00 0.00 179.25 179.87 1x39 h ASP 18 N 1.31 0.74 -0.05 0.00 1.82 -1.03 -2.34 116.42 116.87 1x39 h ASP 18 Ca 0.35 -0.38 -0.01 0.00 -0.39 0.00 0.00 57.03 56.60 1x39 h ASP 18 Cb -0.14 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 39.66 1x39 h ASP 18 CO -0.08 0.95 -0.01 0.25 -1.61 0.00 0.00 179.24 178.75 1x39 h LEU 19 N 0.51 0.09 -1.03 2.28 5.85 -1.06 -3.21 115.31 118.74 1x39 h LEU 19 Ca 0.09 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.57 1x39 h LEU 19 Cb 0.65 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 1x39 h LEU 19 CO 0.04 0.42 0.63 0.25 -0.34 0.00 0.00 178.44 179.44 1x39 h LEU 20 N -0.23 0.94 -0.54 2.25 5.85 -1.09 -0.86 115.31 121.63 1x39 h LEU 20 Ca 0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1x39 h LEU 20 Cb 0.37 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1x39 h LEU 20 CO 0.00 0.53 0.00 0.61 -0.34 0.00 0.00 178.44 179.25 1x39 n GLY 21 N -1.36 -1.14 0.00 3.75 0.00 -0.88 -2.28 105.19 103.27 1x39 n GLY 21 Ca 0.18 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1x39 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x39 n ARG 22 N -2.01 0.09 -3.06 1.61 1.74 -0.34 -5.01 116.66 109.67 1x39 n ARG 22 Ca 0.02 -0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1x39 n ARG 22 Cb 0.19 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 1x39 n ARG 22 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1x39 s MET 23 N -3.07 4.46 0.77 5.56 -1.94 -0.97 -5.07 119.30 119.04 1x39 s MET 23 Ca 0.07 1.03 -0.11 0.00 -1.71 0.00 0.00 55.69 54.96 1x39 s MET 23 Cb 0.16 -3.27 0.05 0.00 2.01 0.00 0.00 34.83 33.78 1x39 s MET 23 CO 0.84 0.55 1.10 0.95 -0.01 0.00 0.00 175.02 178.45 1x39 s THR 24 N -0.99 3.15 0.22 2.05 -4.23 -1.26 -4.87 115.64 109.71 1x39 s THR 24 Ca 0.34 0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 1x39 s THR 24 Cb -0.22 -3.21 0.17 0.00 1.34 0.00 0.00 72.50 70.59 1x39 s THR 24 CO 0.24 -0.49 1.85 0.25 -0.54 0.00 0.00 174.62 175.93 1x39 h LEU 25 N -0.95 0.78 -0.77 4.79 5.85 -1.99 -0.29 115.31 122.74 1x39 h LEU 25 Ca -0.46 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1x39 h LEU 25 Cb 1.27 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 1x39 h LEU 25 CO 0.61 0.53 0.46 0.00 -0.34 0.00 0.00 178.44 179.70 1x39 h ALA 26 N 1.34 1.04 -0.56 1.25 0.00 -1.99 -0.16 119.26 120.18 1x39 h ALA 26 Ca 0.32 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1x39 h ALA 26 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1x39 h ALA 26 CO -0.13 0.20 -0.05 0.93 0.00 0.00 0.00 179.25 180.20 1x39 h GLU 27 N 0.86 1.01 0.13 0.00 5.08 -1.73 -0.65 114.58 119.29 1x39 h GLU 27 Ca 0.33 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1x39 h GLU 27 Cb 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1x39 h GLU 27 CO -0.16 1.02 -0.06 0.87 -1.00 0.00 0.00 179.01 179.67 1x39 h LYS 28 N 0.91 -0.17 -0.53 2.33 1.57 -0.58 -2.21 116.57 117.88 1x39 h LYS 28 Ca 0.15 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1x39 h LYS 28 Cb 0.60 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1x39 h LYS 28 CO 0.04 0.04 0.16 0.82 -0.57 0.00 0.00 179.45 179.95 1x39 h ILE 29 N -0.37 1.21 -0.47 1.86 2.04 -1.05 -2.07 117.51 118.66 1x39 h ILE 29 Ca -0.02 -0.73 0.09 0.00 1.00 0.00 0.00 64.86 65.21 1x39 h ILE 29 Cb 0.30 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 1x39 h ILE 29 CO 0.03 0.28 -0.05 1.23 0.00 0.00 0.00 178.15 179.64 1x39 h GLY 30 N 0.94 0.43 0.85 5.37 0.00 -1.03 -1.57 103.07 108.07 1x39 h GLY 30 Ca 0.18 0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.72 1x39 h GLY 30 CO -0.01 -0.15 0.47 1.46 0.00 0.00 0.00 176.54 178.31 1x39 h GLN 31 N 0.07 0.47 0.00 4.80 1.08 -0.73 0.84 115.11 121.64 1x39 h GLN 31 Ca 0.23 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1x39 h GLN 31 Cb 0.35 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1x39 h GLN 31 CO -0.43 0.31 0.00 -1.33 -0.95 0.00 0.00 178.83 176.43 1x39 n MET 32 N -4.48 0.74 -3.85 1.46 2.81 -0.61 -4.21 117.12 108.99 1x39 n MET 32 Ca 0.12 0.01 -0.36 0.00 -1.81 0.00 0.00 57.70 55.66 1x39 n MET 32 Cb 0.42 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.31 1x39 n MET 32 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1x39 s THR 33 N -2.21 4.24 -0.15 2.03 2.01 -0.56 -0.63 115.64 120.36 1x39 s THR 33 Ca 0.38 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 1x39 s THR 33 Cb 0.20 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 1x39 s THR 33 CO 0.38 0.37 -0.10 -1.58 -0.69 0.00 0.00 174.62 173.00 1x39 s GLN 34 N 1.38 3.42 0.15 4.92 0.74 -0.35 -2.41 119.66 127.51 1x39 s GLN 34 Ca 0.05 -0.65 0.09 0.00 0.05 0.00 0.00 55.36 54.90 1x39 s GLN 34 Cb -0.15 -2.73 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 1x39 s GLN 34 CO 0.03 0.15 -0.21 0.96 -0.55 0.00 0.00 175.29 175.66 1x39 s ILE 35 N 0.54 1.93 0.33 -2.34 -4.36 -0.63 -1.81 121.20 114.86 1x39 s ILE 35 Ca -0.07 -1.81 -0.29 0.00 -0.26 0.00 0.00 60.65 58.23 1x39 s ILE 35 Cb -0.15 -1.82 -0.10 0.00 1.25 0.00 0.00 42.46 41.63 1x39 s ILE 35 CO 0.03 -0.15 1.38 -1.61 0.24 0.00 0.00 174.94 174.83 1x39 s GLU 36 N -2.42 4.27 0.54 0.37 0.41 0.04 -1.57 118.70 120.34 1x39 s GLU 36 Ca 0.14 2.33 0.30 0.00 -0.41 0.00 0.00 54.97 57.33 1x39 s GLU 36 Cb -0.08 -3.05 1.46 0.00 -1.78 0.00 0.00 34.13 30.69 1x39 s GLU 36 CO 0.06 -0.33 1.91 0.07 -0.49 0.00 0.00 175.26 176.49 1x39 h ARG 37 N 3.56 0.00 0.00 1.61 0.11 -1.62 -1.26 114.38 116.78 1x39 h ARG 37 Ca -0.49 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.58 1x39 h ARG 37 Cb 1.23 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 1x39 h ARG 37 CO 0.67 0.00 -0.05 -0.07 0.10 0.00 0.00 179.97 180.63 1x39 h LEU 38 N 0.00 0.00 -2.07 0.08 3.38 -1.90 -2.29 115.31 112.51 1x39 h LEU 38 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1x39 h LEU 38 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1x39 h LEU 38 CO -0.00 0.05 0.00 1.33 0.09 0.00 0.00 178.44 179.90 1x39 n VAL 39 N -3.69 0.41 -3.26 1.22 0.24 -0.49 -5.01 118.33 107.74 1x39 n VAL 39 Ca -0.02 -0.70 -0.37 0.00 -2.04 0.00 0.00 64.34 61.20 1x39 n VAL 39 Cb 0.14 0.96 -0.06 0.00 -1.47 0.00 0.00 33.84 33.42 1x39 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x39 s ALA 40 N -1.08 3.56 0.06 2.33 0.00 -0.86 -4.99 121.76 120.78 1x39 s ALA 40 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 1x39 s ALA 40 Cb 0.13 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1x39 s ALA 40 CO 0.18 0.40 0.02 0.95 0.00 0.00 0.00 175.76 177.31 1x39 s THR 41 N -1.25 0.20 0.21 0.00 -4.23 -1.26 -5.01 115.64 104.30 1x39 s THR 41 Ca 0.33 -1.70 -0.09 0.00 -1.18 0.00 0.00 61.69 59.05 1x39 s THR 41 Cb -0.18 -1.52 0.16 0.00 1.34 0.00 0.00 72.50 72.29 1x39 s THR 41 CO 0.20 -0.90 1.74 -0.65 -0.54 0.00 0.00 174.62 174.47 1x39 h PRO 42 N 3.06 0.40 -0.72 3.99 0.11 -1.95 -1.42 132.00 135.46 1x39 h PRO 42 Ca -0.34 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1x39 h PRO 42 Cb 1.15 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1x39 h PRO 42 CO 0.64 0.27 0.41 -0.44 -0.21 0.00 0.00 178.00 178.66 1x39 h ASP 43 N 0.41 0.88 -0.60 -2.05 3.45 -1.97 -1.64 116.42 114.91 1x39 h ASP 43 Ca 0.32 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.70 1x39 h ASP 43 Cb 0.41 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.93 1x39 h ASP 43 CO -0.32 0.71 0.36 0.58 -1.57 0.00 0.00 179.24 179.00 1x39 h VAL 44 N 0.98 1.18 -0.52 -1.35 2.07 -1.83 0.18 116.25 116.97 1x39 h VAL 44 Ca 0.26 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 1x39 h VAL 44 Cb 0.01 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1x39 h VAL 44 CO -0.04 0.18 -0.14 -0.07 0.02 0.00 0.00 177.57 177.53 1x39 h LEU 45 N 0.81 1.00 0.05 2.57 3.38 -0.95 -2.20 115.31 119.98 1x39 h LEU 45 Ca 0.22 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1x39 h LEU 45 Cb -0.02 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1x39 h LEU 45 CO -0.04 1.13 -0.03 -0.09 0.09 0.00 0.00 178.44 179.50 1x39 h ARG 46 N 0.88 -0.07 -0.00 1.13 2.43 -1.19 -2.09 114.38 115.47 1x39 h ARG 46 Ca 0.13 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1x39 h ARG 46 Cb 0.70 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1x39 h ARG 46 CO 0.05 0.52 -0.30 -0.44 -1.51 0.00 0.00 179.97 178.29 1x39 h ASP 47 N -0.73 0.01 -0.26 -3.80 3.32 -0.64 -2.46 116.42 111.85 1x39 h ASP 47 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1x39 h ASP 47 Cb 0.62 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1x39 h ASP 47 CO 0.01 0.31 0.00 0.59 -1.72 0.00 0.00 179.24 178.43 1x39 n ASN 48 N -4.18 3.00 -3.83 6.45 3.02 -0.83 -4.99 115.26 113.90 1x39 n ASN 48 Ca -0.02 -1.88 -0.28 0.00 -0.03 0.00 0.00 54.58 52.37 1x39 n ASN 48 Cb 0.35 -0.16 0.04 0.00 -0.61 0.00 0.00 39.78 39.39 1x39 n ASN 48 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1x39 n PHE 49 N 1.13 -2.37 -1.85 3.10 3.01 -0.93 -4.27 117.46 115.29 1x39 n PHE 49 Ca 0.15 0.92 -0.42 0.00 1.01 0.00 0.00 57.45 59.11 1x39 n PHE 49 Cb 0.51 -4.23 -0.02 0.00 -0.01 0.00 0.00 39.48 35.72 1x39 n PHE 49 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1x39 s ILE 50 N -3.34 2.26 -0.12 4.37 -1.09 -0.82 -3.28 121.20 119.17 1x39 s ILE 50 Ca 0.57 0.21 0.16 0.00 -2.23 0.00 0.00 60.65 59.37 1x39 s ILE 50 Cb -0.28 -3.14 -0.11 0.00 -1.58 0.00 0.00 42.46 37.35 1x39 s ILE 50 CO 0.81 0.03 0.92 1.23 -1.23 0.00 0.00 174.94 176.70 1x39 h GLY 51 N 5.21 0.00 -4.06 6.18 0.00 -0.71 -3.44 103.07 106.24 1x39 h GLY 51 Ca -0.46 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1x39 h GLY 51 CO 0.81 0.00 -0.02 -0.45 0.00 0.00 0.00 176.54 176.88 1x39 s SER 52 N -5.89 -0.42 0.21 0.19 0.15 -1.01 -2.54 113.70 104.39 1x39 s SER 52 Ca -0.02 0.32 0.08 0.00 0.70 0.00 0.00 55.95 57.04 1x39 s SER 52 Cb 0.09 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.79 1x39 s SER 52 CO 0.80 -0.59 -0.14 -0.76 1.20 0.00 0.00 173.24 173.75 1x39 s LEU 53 N -1.49 2.56 0.08 3.45 1.02 -0.85 -1.61 118.68 121.84 1x39 s LEU 53 Ca -0.10 -1.03 -0.03 0.00 0.02 0.00 0.00 54.13 52.99 1x39 s LEU 53 Cb -0.02 -0.70 -0.03 0.00 0.02 0.00 0.00 46.19 45.46 1x39 s LEU 53 CO 0.04 -0.16 0.06 -1.48 0.02 0.00 0.00 176.35 174.83 1x39 s LEU 54 N -3.34 1.99 -0.26 1.79 2.34 -0.61 -0.85 118.68 119.75 1x39 s LEU 54 Ca 0.23 -0.97 -0.08 0.00 0.06 0.00 0.00 54.13 53.38 1x39 s LEU 54 Cb -0.01 0.47 -0.03 0.00 -0.56 0.00 0.00 46.19 46.06 1x39 s LEU 54 CO 0.08 -0.68 0.09 -0.44 -1.06 0.00 0.00 176.35 174.34 1x39 s SER 55 N -2.94 5.28 1.16 1.48 0.01 -0.88 -1.48 113.70 116.32 1x39 s SER 55 Ca 0.11 -0.21 -0.18 0.00 1.31 0.00 0.00 55.95 56.98 1x39 s SER 55 Cb 0.07 -1.96 0.27 0.00 0.21 0.00 0.00 66.02 64.61 1x39 s SER 55 CO -0.07 -0.05 1.13 -0.83 0.41 0.00 0.00 173.24 173.84 1x39 s GLY 56 N 1.63 1.60 0.14 3.44 0.00 -1.26 -4.24 107.32 108.64 1x39 s GLY 56 Ca 0.06 -0.94 -0.33 0.00 0.00 0.00 0.00 44.72 43.52 1x39 s GLY 56 CO 0.05 -0.09 1.68 0.61 0.00 0.00 0.00 173.10 175.35 1x39 n GLY 57 N -1.32 1.33 2.87 0.20 0.00 -1.26 -1.44 105.19 105.56 1x39 n GLY 57 Ca 0.13 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1x39 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x39 n GLY 58 N 3.75 0.79 3.50 -0.02 0.00 -1.24 -4.02 105.19 107.94 1x39 n GLY 58 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1x39 n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x39 s SER 59 N -2.68 6.36 0.06 1.61 0.15 -0.52 -4.98 113.70 113.70 1x39 s SER 59 Ca 0.00 -1.24 0.04 0.00 0.70 0.00 0.00 55.95 55.45 1x39 s SER 59 Cb 0.00 -2.48 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1x39 s SER 59 CO 0.00 -1.46 -0.11 0.68 1.20 0.00 0.00 173.24 173.55 1x39 s VAL 60 N 4.34 0.82 0.29 4.45 -7.23 -1.26 -4.69 120.40 117.12 1x39 s VAL 60 Ca 0.33 -1.21 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1x39 s VAL 60 Cb -0.08 -0.85 0.21 0.00 0.56 0.00 0.00 36.38 36.22 1x39 s VAL 60 CO 0.02 -0.32 1.90 1.55 -0.31 0.00 0.00 175.10 177.94 1x39 h PRO 61 N 4.36 0.96 -2.87 4.82 0.13 -1.95 -3.45 132.00 134.00 1x39 h PRO 61 Ca -0.38 -0.12 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1x39 h PRO 61 Cb 1.20 -0.18 -0.16 0.00 0.13 0.00 0.00 31.00 31.99 1x39 h PRO 61 CO 0.41 0.73 0.03 1.03 -0.23 0.00 0.00 178.00 179.96 1x39 s ARG 62 N -5.58 1.05 0.21 0.86 0.52 -1.26 -5.08 118.95 109.68 1x39 s ARG 62 Ca -0.11 -0.31 -0.31 0.00 -0.52 0.00 0.00 55.73 54.49 1x39 s ARG 62 Cb 0.17 0.48 -0.10 0.00 0.52 0.00 0.00 34.95 36.01 1x39 s ARG 62 CO 0.80 -0.39 1.55 0.15 0.02 0.00 0.00 175.30 177.42 1x39 s LYS 63 N -2.69 4.21 -0.83 3.54 -0.14 -1.26 -2.61 119.74 119.96 1x39 s LYS 63 Ca -0.04 2.40 0.00 0.00 -1.36 0.00 0.00 55.97 56.97 1x39 s LYS 63 Cb -0.00 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 33.03 1x39 s LYS 63 CO -0.04 -0.57 0.00 0.41 -0.76 0.00 0.00 175.35 174.40 1x39 n GLY 64 N 3.06 0.94 3.78 -3.33 0.00 -1.26 -4.97 105.19 103.40 1x39 n GLY 64 Ca 0.11 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1x39 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x39 s ALA 65 N -2.30 3.59 0.86 4.61 0.00 -1.07 -4.95 121.76 122.50 1x39 s ALA 65 Ca 0.00 1.57 -0.12 0.00 0.00 0.00 0.00 51.96 53.41 1x39 s ALA 65 Cb 0.00 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 19.62 1x39 s ALA 65 CO 0.00 -1.04 1.10 0.95 0.00 0.00 0.00 175.76 176.77 1x39 s THR 66 N -0.99 2.66 0.24 0.00 -4.23 -1.26 -4.54 115.64 107.52 1x39 s THR 66 Ca 0.54 0.21 -0.06 0.00 -1.18 0.00 0.00 61.69 61.21 1x39 s THR 66 Cb -0.47 -2.88 0.22 0.00 1.34 0.00 0.00 72.50 70.72 1x39 s THR 66 CO 0.61 -0.28 1.87 0.00 -0.54 0.00 0.00 174.62 176.29 1x39 h ALA 67 N -1.35 1.21 -1.00 3.99 0.00 -1.88 -1.84 119.26 118.39 1x39 h ALA 67 Ca -0.49 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1x39 h ALA 67 Cb 1.29 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1x39 h ALA 67 CO 0.59 0.38 0.66 -0.22 0.00 0.00 0.00 179.25 180.65 1x39 h LYS 68 N 1.08 1.29 -0.62 0.00 3.64 -1.91 -1.00 116.57 119.04 1x39 h LYS 68 Ca 0.37 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1x39 h LYS 68 Cb 0.09 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1x39 h LYS 68 CO -0.15 0.85 0.39 0.93 -2.27 0.00 0.00 179.45 179.21 1x39 h GLU 69 N 1.32 0.84 -0.29 1.90 5.08 -1.71 -0.04 114.58 121.68 1x39 h GLU 69 Ca 0.37 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1x39 h GLU 69 Cb -0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1x39 h GLU 69 CO -0.09 0.58 0.18 -1.49 -1.00 0.00 0.00 179.01 177.19 1x39 h TRP 70 N 0.85 0.37 -0.63 4.33 4.06 -0.99 -1.58 115.95 122.36 1x39 h TRP 70 Ca 0.23 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.20 1x39 h TRP 70 Cb -0.05 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 27.94 1x39 h TRP 70 CO -0.02 0.26 0.39 1.96 -3.56 0.00 0.00 178.44 177.46 1x39 h GLN 71 N 0.38 0.74 -0.66 0.49 4.20 -0.76 -0.86 115.11 118.65 1x39 h GLN 71 Ca 0.10 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1x39 h GLN 71 Cb -0.01 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 1x39 h GLN 71 CO -0.02 0.49 0.14 -0.44 -0.67 0.00 0.00 178.83 178.33 1x39 h ASP 72 N 0.77 0.99 0.13 1.46 3.32 -0.85 0.48 116.42 122.72 1x39 h ASP 72 Ca 0.25 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1x39 h ASP 72 Cb 0.01 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1x39 h ASP 72 CO -0.10 0.97 -0.06 -0.03 -1.72 0.00 0.00 179.24 178.30 1x39 h MET 73 N 0.99 -0.17 -0.44 3.56 4.05 -0.80 -1.11 114.93 121.01 1x39 h MET 73 Ca 0.21 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1x39 h MET 73 Cb 0.38 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 1x39 h MET 73 CO 0.00 0.01 0.27 0.28 0.23 0.00 0.00 176.91 177.70 1x39 h VAL 74 N -0.31 1.14 -0.59 -5.77 2.07 -1.01 -2.42 116.25 109.35 1x39 h VAL 74 Ca -0.02 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1x39 h VAL 74 Cb 0.25 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1x39 h VAL 74 CO 0.03 0.14 0.35 0.44 0.02 0.00 0.00 177.57 178.55 1x39 h ASP 75 N 0.59 0.70 -0.50 0.57 3.32 -0.89 0.29 116.42 120.50 1x39 h ASP 75 Ca 0.16 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1x39 h ASP 75 Cb -0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1x39 h ASP 75 CO -0.03 0.54 0.25 1.23 -1.72 0.00 0.00 179.24 179.52 1x39 h GLY 76 N 0.85 0.76 0.93 2.75 0.00 -0.78 0.98 103.07 108.55 1x39 h GLY 76 Ca 0.21 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1x39 h GLY 76 CO -0.04 0.35 0.10 0.74 0.00 0.00 0.00 176.54 177.69 1x39 h PHE 77 N 0.67 0.63 -0.76 5.60 0.05 -1.01 -2.98 116.94 119.13 1x39 h PHE 77 Ca 0.17 -0.07 0.01 0.00 3.82 0.00 0.00 57.97 61.91 1x39 h PHE 77 Cb 0.09 -0.18 -0.04 0.00 2.00 0.00 0.00 35.95 37.83 1x39 h PHE 77 CO -0.01 0.61 0.50 0.37 -0.18 0.00 0.00 178.31 179.60 1x39 h GLN 78 N 0.46 0.98 -0.86 1.51 5.75 -0.67 -2.16 115.11 120.12 1x39 h GLN 78 Ca 0.12 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.64 1x39 h GLN 78 Cb 0.29 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 28.55 1x39 h GLN 78 CO -0.00 0.65 0.51 -0.22 -2.65 0.00 0.00 178.83 177.12 1x39 h LYS 79 N 1.01 0.86 -0.33 1.69 3.64 -0.74 0.18 116.57 122.88 1x39 h LYS 79 Ca 0.29 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1x39 h LYS 79 Cb -0.08 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1x39 h LYS 79 CO -0.07 0.57 0.06 0.00 -2.27 0.00 0.00 179.45 177.73 1x39 h ALA 80 N 1.44 0.43 -0.57 5.00 0.00 -1.30 -2.49 119.26 121.78 1x39 h ALA 80 Ca 0.40 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1x39 h ALA 80 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1x39 h ALA 80 CO -0.22 0.12 0.09 0.00 0.00 0.00 0.00 179.25 179.24 1x39 n MET 82 N -4.24 0.15 0.00 0.00 2.00 0.56 -2.52 117.12 113.07 1x39 n MET 82 Ca 0.04 0.32 0.14 0.00 0.00 0.00 0.00 57.70 58.20 1x39 n MET 82 Cb 0.27 -1.76 0.60 0.00 0.00 0.00 0.00 33.22 32.33 1x39 n MET 82 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1x39 n SER 83 N -2.04 1.11 -4.71 7.83 3.41 -0.89 -4.36 113.62 113.96 1x39 n SER 83 Ca 0.03 -1.30 -0.29 0.00 -0.26 0.00 0.00 58.87 57.05 1x39 n SER 83 Cb 0.26 0.01 0.15 0.00 -0.26 0.00 0.00 64.21 64.37 1x39 n SER 83 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1x39 s THR 84 N -2.06 2.39 0.22 6.66 -4.23 -1.05 -4.91 115.64 112.66 1x39 s THR 84 Ca 0.38 0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.93 1x39 s THR 84 Cb 0.21 -2.66 0.19 0.00 1.34 0.00 0.00 72.50 71.58 1x39 s THR 84 CO 0.36 -0.16 1.68 -0.09 -0.54 0.00 0.00 174.62 175.87 1x39 h ARG 85 N -1.65 0.19 0.00 3.99 2.43 -1.90 -2.24 114.38 115.19 1x39 h ARG 85 Ca -0.51 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1x39 h ARG 85 Cb 1.31 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1x39 h ARG 85 CO 0.57 0.13 -0.88 1.28 -1.51 0.00 0.00 179.97 179.56 1x39 n LEU 86 N -5.20 0.65 -3.52 3.80 4.77 -1.26 -4.99 117.00 111.25 1x39 n LEU 86 Ca 0.10 0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.98 1x39 n LEU 86 Cb 0.36 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 1x39 n LEU 86 CO 0.13 -0.01 0.15 0.61 -1.33 0.00 0.00 177.39 176.94 1x39 n GLY 87 N 1.34 -0.43 3.65 -0.72 0.00 -0.85 -4.95 105.19 103.23 1x39 n GLY 87 Ca 0.02 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1x39 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x39 s ILE 88 N -3.36 4.77 0.40 -0.61 1.01 -1.26 -4.79 121.20 117.37 1x39 s ILE 88 Ca 0.24 1.69 -0.26 0.00 0.00 0.00 0.00 60.65 62.31 1x39 s ILE 88 Cb -0.11 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 1x39 s ILE 88 CO 0.74 -0.13 1.29 -2.16 0.00 0.00 0.00 174.94 174.67 1x39 s PRO 89 N 2.99 3.99 0.56 2.79 0.04 -1.26 -4.51 135.00 139.60 1x39 s PRO 89 Ca 0.38 2.12 -0.15 0.00 0.04 0.00 0.00 61.00 63.39 1x39 s PRO 89 Cb -0.15 -2.76 -0.06 0.00 0.04 0.00 0.00 34.50 31.57 1x39 s PRO 89 CO 0.08 -0.46 1.01 0.00 0.04 0.00 0.00 177.00 177.66 1x39 s MET 90 N -2.22 3.74 -0.13 4.56 0.23 -1.26 -4.97 119.30 119.25 1x39 s MET 90 Ca 0.56 0.95 -0.04 0.00 -1.03 0.00 0.00 55.69 56.14 1x39 s MET 90 Cb -0.37 -2.10 -0.03 0.00 -1.53 0.00 0.00 34.83 30.79 1x39 s MET 90 CO 0.48 -0.45 -0.01 -1.50 -2.03 0.00 0.00 175.02 171.52 1x39 s ILE 91 N -2.73 4.21 -0.20 3.16 2.07 -1.05 -4.99 121.20 121.66 1x39 s ILE 91 Ca 0.59 -0.26 -0.05 0.00 -1.41 0.00 0.00 60.65 59.51 1x39 s ILE 91 Cb -0.11 -2.82 -0.03 0.00 0.13 0.00 0.00 42.46 39.63 1x39 s ILE 91 CO 0.38 0.53 0.01 -0.47 -1.91 0.00 0.00 174.94 173.48 1x39 s TYR 92 N -0.11 3.07 0.15 3.50 5.04 -1.26 -2.01 117.35 125.73 1x39 s TYR 92 Ca 0.04 -0.36 0.07 0.00 -2.44 0.00 0.00 57.07 54.38 1x39 s TYR 92 Cb -0.13 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.06 1x39 s TYR 92 CO 0.02 -0.17 0.00 0.20 -1.34 0.00 0.00 175.55 174.26 1x39 s GLY 93 N 0.90 1.76 0.03 8.97 0.00 -0.03 -2.44 107.32 116.52 1x39 s GLY 93 Ca 0.01 -1.31 -0.22 0.00 0.00 0.00 0.00 44.72 43.21 1x39 s GLY 93 CO 0.02 -1.31 0.50 -1.50 0.00 0.00 0.00 173.10 170.81 1x39 s ILE 94 N -1.63 0.03 -1.12 0.90 2.07 -0.66 -2.08 121.20 118.71 1x39 s ILE 94 Ca 0.27 -0.27 -0.21 0.00 -1.41 0.00 0.00 60.65 59.03 1x39 s ILE 94 Cb -0.10 -0.95 0.05 0.00 0.13 0.00 0.00 42.46 41.59 1x39 s ILE 94 CO 0.19 -0.15 1.60 -1.81 -1.91 0.00 0.00 174.94 172.86 1x39 s ASP 95 N -1.85 6.49 -0.99 4.50 1.11 -1.26 -0.84 116.67 123.84 1x39 s ASP 95 Ca -0.06 -1.78 -0.13 0.00 0.18 0.00 0.00 52.55 50.75 1x39 s ASP 95 Cb -0.01 -2.57 0.22 0.00 1.07 0.00 0.00 42.92 41.63 1x39 s ASP 95 CO -0.00 -1.51 1.02 0.00 1.18 0.00 0.00 175.17 175.86 1x39 s ALA 96 N 5.22 4.19 -0.41 5.23 0.00 -1.26 -4.33 121.76 130.40 1x39 s ALA 96 Ca 0.51 -3.43 0.11 0.00 0.00 0.00 0.00 51.96 49.16 1x39 s ALA 96 Cb 0.01 -3.69 -0.14 0.00 0.00 0.00 0.00 23.12 19.30 1x39 s ALA 96 CO -0.02 -2.42 0.42 1.33 0.00 0.00 0.00 175.76 175.07 1x39 n VAL 97 N 3.85 0.00 -2.96 0.00 0.24 -1.26 -4.63 118.33 113.57 1x39 n VAL 97 Ca 0.22 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 62.13 1x39 n VAL 97 Cb 0.44 0.82 0.01 0.00 -1.47 0.00 0.00 33.84 33.64 1x39 n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x39 n HIS 98 N -1.41 -1.66 -0.67 6.34 1.44 -1.26 -4.81 115.22 113.19 1x39 n HIS 98 Ca 0.01 -2.79 0.00 0.00 -2.01 0.00 0.00 57.72 52.93 1x39 n HIS 98 Cb 0.20 0.63 0.00 0.00 0.12 0.00 0.00 29.99 30.94 1x39 n HIS 98 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x39 n GLY 99 N 0.98 -2.86 2.85 -1.39 0.00 -1.26 -1.22 105.19 102.28 1x39 n GLY 99 Ca 0.15 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1x39 n GLY 99 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x39 n GLN 100 N -0.27 3.06 0.15 1.61 -0.06 -1.26 -4.41 117.38 116.20 1x39 n GLN 100 Ca 0.00 -2.88 0.13 0.00 -2.00 0.00 0.00 57.00 52.25 1x39 n GLN 100 Cb 0.00 -3.22 0.45 0.00 -4.06 0.00 0.00 30.24 23.41 1x39 n GLN 100 CO 0.00 0.00 0.00 -2.95 -0.20 0.00 0.00 177.06 173.91 1x39 h ASN 101 N 6.10 0.00 1.23 1.69 7.08 -1.83 -2.07 115.58 127.79 1x39 h ASN 101 Ca 0.52 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.74 1x39 h ASN 101 Cb 0.66 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.90 1x39 h ASN 101 CO 1.78 0.00 0.00 0.78 -2.08 0.00 0.00 177.43 177.91 1x39 h ASN 102 N 0.00 0.00 -3.35 6.14 -0.26 -1.84 0.20 115.58 116.47 1x39 h ASN 102 Ca 0.00 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.15 1x39 h ASN 102 Cb 0.59 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 37.75 1x39 h ASN 102 CO 0.00 0.00 -0.32 -0.69 -1.06 0.00 0.00 177.43 175.36 1x39 s VAL 103 N -3.36 5.29 0.22 2.81 1.01 -0.78 -4.51 120.40 121.09 1x39 s VAL 103 Ca 0.05 0.54 -0.32 0.00 0.00 0.00 0.00 61.98 62.25 1x39 s VAL 103 Cb 0.09 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.71 1x39 s VAL 103 CO 0.54 0.36 1.67 0.00 0.00 0.00 0.00 175.10 177.67 1x39 n TYR 104 N 3.79 2.69 -0.84 5.22 9.36 -1.26 -2.13 117.16 133.99 1x39 n TYR 104 Ca -0.12 0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1x39 n TYR 104 Cb 0.52 -2.64 0.00 0.00 -0.63 0.00 0.00 39.34 36.59 1x39 n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x39 n GLY 105 N 3.47 1.04 3.77 2.98 0.00 -1.26 -4.91 105.19 110.29 1x39 n GLY 105 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1x39 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x39 s ALA 106 N -3.74 3.25 0.19 4.61 0.00 -0.91 -3.28 121.76 121.89 1x39 s ALA 106 Ca 0.00 0.81 -0.32 0.00 0.00 0.00 0.00 51.96 52.45 1x39 s ALA 106 Cb 0.00 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.70 1x39 s ALA 106 CO 0.00 -0.20 1.73 0.99 0.00 0.00 0.00 175.76 178.29 1x39 s THR 107 N -1.39 2.14 -0.31 0.00 2.01 -1.26 -4.85 115.64 111.98 1x39 s THR 107 Ca 0.51 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.49 1x39 s THR 107 Cb -0.28 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.22 1x39 s THR 107 CO 0.35 0.00 0.09 -0.63 -0.69 0.00 0.00 174.62 173.74 1x39 s ILE 108 N 1.43 3.89 0.57 1.82 -1.09 -1.26 -4.05 121.20 122.51 1x39 s ILE 108 Ca 0.76 -0.83 -0.08 0.00 -2.23 0.00 0.00 60.65 58.27 1x39 s ILE 108 Cb -0.49 -3.07 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 1x39 s ILE 108 CO 0.33 0.00 0.91 -0.36 -1.23 0.00 0.00 174.94 174.59 1x39 s PHE 109 N 1.47 3.47 0.56 3.97 0.40 -0.36 -0.91 117.98 126.58 1x39 s PHE 109 Ca 0.01 0.92 -0.21 0.00 -0.60 0.00 0.00 56.93 57.05 1x39 s PHE 109 Cb -0.18 -2.61 -0.05 0.00 0.51 0.00 0.00 43.02 40.70 1x39 s PHE 109 CO 0.02 -0.62 1.21 -2.30 0.70 0.00 0.00 175.22 174.23 1x39 n PRO 110 N -2.55 1.37 -1.08 0.24 -0.02 -1.17 -4.35 135.00 127.44 1x39 n PRO 110 Ca 0.04 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 1x39 n PRO 110 Cb 0.56 -2.41 0.14 0.00 -0.02 0.00 0.00 33.50 31.77 1x39 n PRO 110 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1x39 s HIS 111 N -1.36 2.18 0.28 6.00 3.76 -0.77 -4.73 115.29 120.66 1x39 s HIS 111 Ca 0.73 1.40 0.02 0.00 -0.15 0.00 0.00 55.06 57.07 1x39 s HIS 111 Cb -0.43 -3.16 0.66 0.00 1.11 0.00 0.00 32.58 30.76 1x39 s HIS 111 CO 0.48 -2.45 1.73 -0.91 -0.85 0.00 0.00 174.74 172.74 1x39 h ASN 112 N -1.60 0.47 -0.68 1.40 2.35 -1.78 -1.87 115.58 113.86 1x39 h ASN 112 Ca -0.48 0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.45 1x39 h ASN 112 Cb 1.27 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 39.65 1x39 h ASN 112 CO 0.51 0.12 0.38 1.62 -1.65 0.00 0.00 177.43 178.41 1x39 h VAL 113 N 0.53 0.96 -0.70 2.81 3.04 -1.17 0.11 116.25 121.83 1x39 h VAL 113 Ca 0.53 -0.24 -0.06 0.00 -1.01 0.00 0.00 66.70 65.92 1x39 h VAL 113 Cb 0.89 0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 30.35 1x39 h VAL 113 CO -0.44 0.13 0.20 1.23 -1.01 0.00 0.00 177.57 177.67 1x39 h GLY 114 N 0.69 1.18 1.21 3.17 0.00 -1.65 -2.36 103.07 105.32 1x39 h GLY 114 Ca 0.31 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1x39 h GLY 114 CO -0.19 0.67 0.52 1.41 0.00 0.00 0.00 176.54 178.95 1x39 h LEU 115 N 1.04 0.92 -1.36 3.11 3.38 -0.88 -1.44 115.31 120.08 1x39 h LEU 115 Ca 0.22 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1x39 h LEU 115 Cb 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1x39 h LEU 115 CO -0.00 0.68 0.32 1.23 0.09 0.00 0.00 178.44 180.76 1x39 h GLY 116 N 1.09 0.81 2.00 0.83 0.00 -0.34 -1.74 103.07 105.72 1x39 h GLY 116 Ca 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1x39 h GLY 116 CO -0.06 0.32 -0.07 0.00 0.00 0.00 0.00 176.54 176.74 1x39 h ALA 117 N 1.59 1.19 0.00 3.60 0.00 -0.82 -2.68 119.26 122.14 1x39 h ALA 117 Ca 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1x39 h ALA 117 Cb -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1x39 h ALA 117 CO -0.04 0.08 -0.29 1.79 0.00 0.00 0.00 179.25 180.80 1x39 h THR 118 N 0.00 0.56 -5.67 0.00 1.35 -1.15 -1.79 112.91 106.21 1x39 h THR 118 Ca -0.00 -1.55 -0.40 0.00 -0.55 0.00 0.00 66.41 63.92 1x39 h THR 118 Cb 0.28 2.08 -0.10 0.00 -1.73 0.00 0.00 68.15 68.68 1x39 h THR 118 CO 0.01 0.29 -0.59 0.54 -0.25 0.00 0.00 175.52 175.52 1x39 n ARG 119 N -3.25 -3.29 -3.79 4.72 5.12 -1.01 -4.93 116.66 110.23 1x39 n ARG 119 Ca 0.02 0.43 -0.29 0.00 -1.93 0.00 0.00 57.85 56.08 1x39 n ARG 119 Cb 0.58 -5.14 -0.13 0.00 -1.16 0.00 0.00 32.46 26.61 1x39 n ARG 119 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1x39 s ASP 120 N -2.79 3.93 0.42 0.55 -1.08 -1.26 -4.97 116.67 111.47 1x39 s ASP 120 Ca 0.45 -3.20 0.08 0.00 -0.52 0.00 0.00 52.55 49.36 1x39 s ASP 120 Cb -0.24 -1.31 0.91 0.00 -1.46 0.00 0.00 42.92 40.82 1x39 s ASP 120 CO 0.55 -0.18 2.07 -0.65 0.52 0.00 0.00 175.17 177.48 1x39 h PRO 121 N 6.07 0.48 -0.45 4.34 0.11 -1.92 -2.27 132.00 138.37 1x39 h PRO 121 Ca 0.06 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 1x39 h PRO 121 Cb 0.86 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1x39 h PRO 121 CO 0.60 0.32 -0.17 -0.92 -0.21 0.00 0.00 178.00 177.61 1x39 h TYR 122 N 0.50 0.99 -0.44 0.65 3.20 -1.93 0.33 116.97 120.27 1x39 h TYR 122 Ca 0.14 -0.21 0.07 0.00 3.14 0.00 0.00 58.73 61.87 1x39 h TYR 122 Cb -0.03 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 37.94 1x39 h TYR 122 CO -0.00 0.98 0.09 1.25 -1.64 0.00 0.00 178.16 178.84 1x39 h LEU 123 N 0.77 0.02 -0.88 2.82 5.85 -1.85 -0.71 115.31 121.34 1x39 h LEU 123 Ca 0.11 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1x39 h LEU 123 Cb 0.71 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1x39 h LEU 123 CO 0.05 0.04 0.04 0.58 -0.34 0.00 0.00 178.44 178.82 1x39 h VAL 124 N 0.23 1.25 -0.33 1.05 2.07 -1.07 -0.47 116.25 118.98 1x39 h VAL 124 Ca 0.21 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1x39 h VAL 124 Cb 0.26 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1x39 h VAL 124 CO -0.27 0.36 0.16 0.50 0.02 0.00 0.00 177.57 178.33 1x39 h LYS 125 N 0.82 0.32 -0.56 1.57 3.64 -0.53 -0.50 116.57 121.34 1x39 h LYS 125 Ca 0.16 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1x39 h LYS 125 Cb 0.43 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1x39 h LYS 125 CO 0.01 0.21 0.27 0.00 -2.27 0.00 0.00 179.45 177.67 1x39 h ARG 126 N 0.33 0.79 -0.48 1.90 3.08 -0.45 -0.52 114.38 119.03 1x39 h ARG 126 Ca 0.14 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1x39 h ARG 126 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1x39 h ARG 126 CO -0.10 0.62 0.21 0.82 -1.07 0.00 0.00 179.97 180.45 1x39 h ILE 127 N 0.79 1.20 -0.64 2.04 2.04 -0.64 -1.05 117.51 121.25 1x39 h ILE 127 Ca 0.20 -0.59 0.08 0.00 1.00 0.00 0.00 64.86 65.55 1x39 h ILE 127 Cb 0.09 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1x39 h ILE 127 CO -0.03 0.22 0.32 1.23 0.00 0.00 0.00 178.15 179.89 1x39 h GLY 128 N 0.63 0.94 0.99 5.37 0.00 -0.15 0.13 103.07 110.99 1x39 h GLY 128 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1x39 h GLY 128 CO -0.02 0.08 0.26 0.83 0.00 0.00 0.00 176.54 177.68 1x39 h GLU 129 N 0.56 0.55 -0.42 4.80 5.08 -0.77 -0.08 114.58 124.30 1x39 h GLU 129 Ca 0.31 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1x39 h GLU 129 Cb 0.29 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1x39 h GLU 129 CO -0.24 0.39 -0.03 0.00 -1.00 0.00 0.00 179.01 178.14 1x39 h ALA 130 N 1.12 0.57 -0.46 3.43 0.00 -0.90 -2.88 119.26 120.14 1x39 h ALA 130 Ca 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1x39 h ALA 130 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1x39 h ALA 130 CO -0.03 0.38 0.25 1.15 0.00 0.00 0.00 179.25 181.01 1x39 h THR 131 N 0.60 1.16 -0.76 0.00 2.02 -0.58 -1.51 112.91 113.84 1x39 h THR 131 Ca 0.12 -0.42 0.12 0.00 0.77 0.00 0.00 66.41 67.00 1x39 h THR 131 Cb 0.53 0.61 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 1x39 h THR 131 CO 0.03 0.17 0.35 0.00 0.37 0.00 0.00 175.52 176.44 1x39 h ALA 132 N 1.10 1.08 -0.40 6.16 0.00 -0.95 0.88 119.26 127.13 1x39 h ALA 132 Ca 0.16 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1x39 h ALA 132 Cb 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1x39 h ALA 132 CO -0.03 -0.12 0.00 -0.07 0.00 0.00 0.00 179.25 179.04 1x39 h LEU 133 N 0.55 0.68 -0.92 0.00 3.38 -1.21 0.10 115.31 117.89 1x39 h LEU 133 Ca 0.40 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1x39 h LEU 133 Cb 0.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1x39 h LEU 133 CO -0.34 0.82 -0.50 -0.33 0.09 0.00 0.00 178.44 178.18 1x39 h GLU 134 N 0.53 0.08 -0.10 1.13 5.08 -0.78 0.12 114.58 120.64 1x39 h GLU 134 Ca 0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1x39 h GLU 134 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1x39 h GLU 134 CO 0.02 0.57 -0.04 0.28 -1.00 0.00 0.00 179.01 178.84 1x39 h VAL 135 N 0.07 1.31 0.00 3.13 2.07 -0.64 -3.01 116.25 119.17 1x39 h VAL 135 Ca -0.00 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1x39 h VAL 135 Cb 0.92 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1x39 h VAL 135 CO 0.07 0.29 -0.12 0.03 0.02 0.00 0.00 177.57 177.86 1x39 h ARG 136 N -0.15 0.00 -0.22 1.57 2.47 -0.83 -1.55 114.38 115.67 1x39 h ARG 136 Ca 0.02 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.81 1x39 h ARG 136 Cb 0.47 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1x39 h ARG 136 CO 0.01 0.12 0.17 0.00 0.56 0.00 0.00 179.97 180.83 1x39 h ALA 137 N 1.88 2.12 -0.54 0.04 0.00 -0.62 -1.68 119.26 120.46 1x39 h ALA 137 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x39 h ALA 137 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1x39 h ALA 137 CO 0.02 -0.28 0.00 0.25 0.00 0.00 0.00 179.25 179.23 1x39 n THR 138 N -4.32 0.71 -0.86 0.00 -2.24 -0.61 -4.07 114.28 102.89 1x39 n THR 138 Ca 0.02 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1x39 n THR 138 Cb 0.31 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1x39 n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x39 n GLY 139 N 1.56 0.78 3.85 3.38 0.00 -0.63 -3.01 105.19 111.13 1x39 n GLY 139 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1x39 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x39 s ILE 140 N -3.02 5.05 -1.07 -0.61 1.01 -1.05 -4.77 121.20 116.74 1x39 s ILE 140 Ca 0.00 0.65 0.09 0.00 0.00 0.00 0.00 60.65 61.39 1x39 s ILE 140 Cb 0.00 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.87 1x39 s ILE 140 CO 0.00 0.41 0.79 0.00 0.00 0.00 0.00 174.94 176.15 1x39 n GLN 141 N 1.30 0.32 -3.67 2.79 3.00 -1.15 -3.66 117.38 116.31 1x39 n GLN 141 Ca -0.10 -1.06 -0.11 0.00 -0.01 0.00 0.00 57.00 55.72 1x39 n GLN 141 Cb 0.52 -1.17 -0.12 0.00 0.00 0.00 0.00 30.24 29.48 1x39 n GLN 141 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1x39 s TYR 142 N -0.73 -0.57 -0.12 1.08 6.04 -1.02 -1.32 117.35 120.70 1x39 s TYR 142 Ca 0.10 1.19 -0.01 0.00 0.04 0.00 0.00 57.07 58.39 1x39 s TYR 142 Cb 0.07 0.13 -0.02 0.00 -1.04 0.00 0.00 41.96 41.10 1x39 s TYR 142 CO 0.11 -0.39 -0.10 0.00 -1.54 0.00 0.00 175.55 173.64 1x39 s ALA 143 N 2.25 2.78 -1.47 3.97 0.00 -0.39 -1.65 121.76 127.26 1x39 s ALA 143 Ca -0.02 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1x39 s ALA 143 Cb -0.11 -1.29 0.03 0.00 0.00 0.00 0.00 23.12 21.75 1x39 s ALA 143 CO -0.11 0.31 2.32 1.19 0.00 0.00 0.00 175.76 179.48 1x39 n PHE 144 N 3.24 3.28 -3.52 0.00 0.99 -0.02 -3.09 117.46 118.33 1x39 n PHE 144 Ca -0.18 -2.98 -0.16 0.00 -0.00 0.00 0.00 57.45 54.13 1x39 n PHE 144 Cb 0.53 -2.48 -0.05 0.00 -1.00 0.00 0.00 39.48 36.47 1x39 n PHE 144 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x39 s ALA 145 N 2.69 -1.61 0.26 4.37 0.00 -1.14 -4.68 121.76 121.65 1x39 s ALA 145 Ca 0.50 0.98 -0.16 0.00 0.00 0.00 0.00 51.96 53.29 1x39 s ALA 145 Cb 0.14 0.24 -0.08 0.00 0.00 0.00 0.00 23.12 23.42 1x39 s ALA 145 CO -0.08 -0.46 0.69 -1.25 0.00 0.00 0.00 175.76 174.66 1x39 s PRO 146 N -1.90 4.06 -0.27 0.00 0.04 -0.90 0.01 135.00 136.03 1x39 s PRO 146 Ca -0.08 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.35 1x39 s PRO 146 Cb -0.01 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1x39 s PRO 146 CO 0.03 0.28 1.48 0.00 0.04 0.00 0.00 177.00 178.84 1x39 n ILE 148 N 6.44 2.69 -1.72 0.00 -5.35 0.75 -4.67 119.36 117.50 1x39 n ILE 148 Ca 0.17 -2.32 -0.40 0.00 -0.27 0.00 0.00 62.75 59.94 1x39 n ILE 148 Cb 0.46 -0.34 0.02 0.00 -1.74 0.00 0.00 39.64 38.04 1x39 n ILE 148 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x39 n ALA 149 N -0.92 1.46 -3.61 -1.28 0.00 -1.23 -4.92 120.51 110.01 1x39 n ALA 149 Ca 0.38 0.22 -0.40 0.00 0.00 0.00 0.00 53.44 53.64 1x39 n ALA 149 Cb 1.19 -2.30 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 1x39 n ALA 149 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x39 s VAL 150 N -1.23 4.02 -0.22 0.00 1.01 -1.26 -4.32 120.40 118.40 1x39 s VAL 150 Ca 0.64 -2.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 1x39 s VAL 150 Cb -0.47 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1x39 s VAL 150 CO 0.56 -0.79 1.49 0.00 0.00 0.00 0.00 175.10 176.36 1x39 n ARG 152 N 7.39 2.26 -3.31 0.00 5.12 0.26 -3.93 116.66 124.45 1x39 n ARG 152 Ca 0.17 -1.90 -0.02 0.00 -1.93 0.00 0.00 57.85 54.17 1x39 n ARG 152 Cb 0.45 -1.45 -0.04 0.00 -1.16 0.00 0.00 32.46 30.26 1x39 n ARG 152 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1x39 s ASP 153 N -1.95 -0.75 0.00 0.55 3.68 -1.26 -4.48 116.67 112.46 1x39 s ASP 153 Ca 0.28 0.76 0.12 0.00 2.13 0.00 0.00 52.55 55.84 1x39 s ASP 153 Cb 0.20 1.78 0.56 0.00 -1.45 0.00 0.00 42.92 44.01 1x39 s ASP 153 CO 0.29 -0.27 1.33 -0.81 0.13 0.00 0.00 175.17 175.84 1x39 n PRO 154 N 5.41 0.10 0.09 4.34 -0.04 -1.26 -2.05 135.00 141.59 1x39 n PRO 154 Ca -0.04 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.73 1x39 n PRO 154 Cb 0.50 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.85 1x39 n PRO 154 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x39 n ARG 155 N -1.37 0.10 -2.25 0.54 1.74 -1.26 -4.73 116.66 109.43 1x39 n ARG 155 Ca 0.05 0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 1x39 n ARG 155 Cb 0.11 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.78 1x39 n ARG 155 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1x39 s TRP 156 N -3.25 3.30 -1.09 -1.55 -0.00 -0.87 -1.37 118.94 114.11 1x39 s TRP 156 Ca 0.02 1.17 0.08 0.00 -0.00 0.00 0.00 56.10 57.37 1x39 s TRP 156 Cb 0.07 -3.58 0.33 0.00 -0.00 0.00 0.00 33.47 30.30 1x39 s TRP 156 CO 0.24 -1.86 1.21 0.41 -0.00 0.00 0.00 176.95 176.95 1x39 n GLY 157 N 2.85 -0.71 0.54 5.86 0.00 -1.24 -2.09 105.19 110.39 1x39 n GLY 157 Ca 0.08 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1x39 n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x39 n ARG 158 N -1.45 2.71 -0.10 1.61 1.74 -1.26 -3.84 116.66 116.06 1x39 n ARG 158 Ca 0.02 -2.29 0.13 0.00 -0.77 0.00 0.00 57.85 54.95 1x39 n ARG 158 Cb 0.08 -1.44 0.51 0.00 -1.02 0.00 0.00 32.46 30.59 1x39 n ARG 158 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x39 h TYR 160 N 0.39 0.00 -0.00 0.00 -0.00 -1.79 -1.82 116.97 113.74 1x39 h TYR 160 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.03 1x39 h TYR 160 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.38 1x39 h TYR 160 CO -0.00 0.07 -0.04 0.39 -0.00 0.00 0.00 178.16 178.58 1x39 n GLU 161 N -3.32 0.75 -3.92 0.10 1.02 0.03 -1.44 120.64 113.85 1x39 n GLU 161 Ca -0.01 -0.14 -0.35 0.00 -0.02 0.00 0.00 57.16 56.64 1x39 n GLU 161 Cb 0.25 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.08 1x39 n GLU 161 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x39 s SER 162 N -2.35 5.84 0.52 1.62 0.15 -0.69 -4.65 113.70 114.13 1x39 s SER 162 Ca 0.34 0.15 0.21 0.00 0.70 0.00 0.00 55.95 57.35 1x39 s SER 162 Cb 0.21 -2.00 1.36 0.00 -1.71 0.00 0.00 66.02 63.88 1x39 s SER 162 CO 0.44 0.19 2.12 1.88 1.20 0.00 0.00 173.24 179.07 1x39 h TYR 163 N 6.55 0.00 -1.25 3.44 -1.99 -1.75 -3.11 116.97 118.87 1x39 h TYR 163 Ca -0.39 0.00 0.26 0.00 2.00 0.00 0.00 58.73 60.60 1x39 h TYR 163 Cb 1.17 0.00 -0.22 0.00 2.00 0.00 0.00 36.73 39.67 1x39 h TYR 163 CO 0.58 0.07 0.88 0.45 -0.00 0.00 0.00 178.16 180.14 1x39 s SER 164 N -6.67 -0.09 0.14 3.88 0.15 -1.26 -3.98 113.70 105.87 1x39 s SER 164 Ca -0.04 0.04 0.24 0.00 0.70 0.00 0.00 55.95 56.89 1x39 s SER 164 Cb 0.15 0.09 0.92 0.00 -1.71 0.00 0.00 66.02 65.48 1x39 s SER 164 CO 0.63 -0.13 1.75 -1.84 1.20 0.00 0.00 173.24 174.85 1x39 n GLU 165 N 0.16 0.14 -3.43 5.44 0.28 -1.18 -3.49 120.64 118.56 1x39 n GLU 165 Ca 0.01 0.22 -0.42 0.00 -0.16 0.00 0.00 57.16 56.81 1x39 n GLU 165 Cb 0.58 -1.70 -0.10 0.00 1.43 0.00 0.00 31.44 31.65 1x39 n GLU 165 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1x39 s ASP 166 N -3.85 6.13 0.54 -1.84 -1.08 -1.26 -4.83 116.67 110.48 1x39 s ASP 166 Ca 0.09 -0.72 0.27 0.00 -0.52 0.00 0.00 52.55 51.68 1x39 s ASP 166 Cb 0.13 -2.17 1.43 0.00 -1.46 0.00 0.00 42.92 40.84 1x39 s ASP 166 CO 0.47 -0.44 1.96 0.08 0.52 0.00 0.00 175.17 177.77 1x39 h ARG 167 N 8.62 0.00 -0.78 4.34 -0.00 -1.83 -1.16 114.38 123.57 1x39 h ARG 167 Ca -0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.66 1x39 h ARG 167 Cb 1.13 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.06 1x39 h ARG 167 CO 0.73 0.00 0.32 0.00 -0.00 0.00 0.00 179.97 181.02 1x39 h ARG 168 N 0.00 1.15 -0.23 0.08 3.08 -1.94 0.19 114.38 116.71 1x39 h ARG 168 Ca 0.29 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1x39 h ARG 168 Cb 1.20 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1x39 h ARG 168 CO -0.00 0.93 -0.06 0.82 -1.07 0.00 0.00 179.97 180.59 1x39 h ILE 169 N 1.12 1.28 -0.50 2.04 2.04 -1.63 -2.12 117.51 119.76 1x39 h ILE 169 Ca 0.26 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 65.14 1x39 h ILE 169 Cb 0.20 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 1x39 h ILE 169 CO -0.02 0.33 0.16 0.58 0.00 0.00 0.00 178.15 179.19 1x39 h VAL 170 N 0.19 0.80 -0.78 1.67 2.07 -1.21 -1.61 116.25 117.38 1x39 h VAL 170 Ca 0.06 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1x39 h VAL 170 Cb 0.52 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1x39 h VAL 170 CO 0.02 0.06 0.47 1.56 0.02 0.00 0.00 177.57 179.70 1x39 h GLN 171 N 0.32 0.85 -0.39 1.57 4.20 -0.55 -2.00 115.11 119.11 1x39 h GLN 171 Ca 0.24 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 1x39 h GLN 171 Cb 0.28 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1x39 h GLN 171 CO -0.26 0.56 0.05 0.66 -0.67 0.00 0.00 178.83 179.16 1x39 h SER 172 N 0.87 0.55 0.16 1.46 4.64 -0.66 -2.65 113.55 117.92 1x39 h SER 172 Ca 0.34 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1x39 h SER 172 Cb 0.15 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1x39 h SER 172 CO -0.16 0.59 -0.01 0.23 -0.87 0.00 0.00 176.83 176.61 1x39 n MET 173 N -4.29 0.87 0.00 4.77 2.81 -0.68 -3.32 117.12 117.28 1x39 n MET 173 Ca 0.02 -0.05 0.03 0.00 -1.81 0.00 0.00 57.70 55.90 1x39 n MET 173 Cb 0.23 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.41 1x39 n MET 173 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1x39 n THR 174 N -1.02 0.97 0.24 2.03 -2.24 -1.00 -2.04 114.28 111.22 1x39 n THR 174 Ca 0.21 0.24 0.14 0.00 -2.27 0.00 0.00 64.05 62.37 1x39 n THR 174 Cb 0.16 -1.13 0.74 0.00 -2.10 0.00 0.00 70.33 68.01 1x39 n THR 174 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x39 h GLU 175 N 0.00 0.00 -0.86 -0.78 4.39 -1.79 -1.26 114.58 114.28 1x39 h GLU 175 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 1x39 h GLU 175 Cb 0.07 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 1x39 h GLU 175 CO 0.00 0.00 0.55 1.25 -1.16 0.00 0.00 179.01 179.65 1x39 h LEU 176 N 0.00 0.71 0.81 1.33 5.85 -1.62 -2.84 115.31 119.55 1x39 h LEU 176 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1x39 h LEU 176 Cb 0.23 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.15 1x39 h LEU 176 CO 0.00 0.40 -0.39 0.40 -0.34 0.00 0.00 178.44 178.51 1x39 h ILE 177 N 0.78 0.20 0.00 4.05 2.04 -1.50 0.74 117.51 123.82 1x39 h ILE 177 Ca 0.41 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.26 1x39 h ILE 177 Cb 0.51 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1x39 h ILE 177 CO -0.17 0.00 -0.01 1.55 0.00 0.00 0.00 178.15 179.52 1x39 h PRO 178 N -1.09 0.00 0.18 2.37 0.13 -1.74 0.93 132.00 132.77 1x39 h PRO 178 Ca -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1x39 h PRO 178 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1x39 h PRO 178 CO 0.18 0.01 -0.09 0.78 -0.23 0.00 0.00 178.00 178.65 1x39 h GLY 179 N 0.89 -0.25 0.98 1.56 0.00 -1.12 0.12 103.07 105.25 1x39 h GLY 179 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 1x39 h GLY 179 CO 0.00 -0.09 0.21 1.41 0.00 0.00 0.00 176.54 178.07 1x39 h LEU 180 N -0.50 0.73 0.00 3.11 3.38 -0.36 -3.08 115.31 118.58 1x39 h LEU 180 Ca -0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1x39 h LEU 180 Cb 0.38 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1x39 h LEU 180 CO 0.04 0.69 -2.01 0.00 0.09 0.00 0.00 178.44 177.25 1x39 n GLN 181 N -4.53 0.66 0.00 1.13 6.02 0.27 -1.36 117.38 119.57 1x39 n GLN 181 Ca 0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1x39 n GLN 181 Cb 0.16 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.90 1x39 n GLN 181 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x39 n GLY 182 N 1.30 1.70 3.74 1.08 0.00 0.42 -0.58 105.19 112.85 1x39 n GLY 182 Ca -0.06 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 1x39 n GLY 182 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x39 s ASP 183 N -0.33 6.82 0.58 1.61 1.01 -1.23 -4.50 116.67 120.63 1x39 s ASP 183 Ca 0.00 2.52 -0.18 0.00 0.71 0.00 0.00 52.55 55.60 1x39 s ASP 183 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1x39 s ASP 183 CO 0.00 -0.57 1.12 0.68 0.21 0.00 0.00 175.17 176.62 1x39 s VAL 184 N -0.15 3.18 0.86 -1.27 -7.23 -1.26 -4.95 120.40 109.58 1x39 s VAL 184 Ca 0.56 0.67 -0.11 0.00 -1.81 0.00 0.00 61.98 61.29 1x39 s VAL 184 Cb -0.38 -3.23 0.11 0.00 0.56 0.00 0.00 36.38 33.44 1x39 s VAL 184 CO 0.42 -0.22 1.10 -2.16 -0.31 0.00 0.00 175.10 173.93 1x39 s PRO 185 N -3.54 1.50 0.47 4.82 0.04 -1.26 -4.92 135.00 132.12 1x39 s PRO 185 Ca 0.71 1.05 0.18 0.00 0.04 0.00 0.00 61.00 62.98 1x39 s PRO 185 Cb -0.23 -1.82 1.17 0.00 0.04 0.00 0.00 34.50 33.66 1x39 s PRO 185 CO 0.31 -2.14 1.99 1.57 0.04 0.00 0.00 177.00 178.78 1x39 h LYS 186 N -1.48 0.23 -1.23 4.56 -0.00 -2.05 -2.84 116.57 113.76 1x39 h LYS 186 Ca -0.47 -0.01 -0.39 0.00 -0.00 0.00 0.00 60.65 59.78 1x39 h LYS 186 Cb 1.26 -0.05 -0.19 0.00 -0.00 0.00 0.00 32.23 33.25 1x39 h LYS 186 CO 0.51 0.15 0.50 -0.40 -0.00 0.00 0.00 179.45 180.22 1x39 n ASP 187 N -4.45 5.55 -4.76 7.07 5.75 -1.26 -4.98 116.55 119.47 1x39 n ASP 187 Ca 0.09 -3.17 -0.37 0.00 -0.01 0.00 0.00 54.79 51.32 1x39 n ASP 187 Cb 0.44 -0.91 -0.06 0.00 -1.03 0.00 0.00 41.12 39.55 1x39 n ASP 187 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1x39 s PHE 188 N -2.27 3.55 -0.28 2.11 5.36 -1.07 -5.05 117.98 120.32 1x39 s PHE 188 Ca 0.39 0.78 -0.18 0.00 -0.96 0.00 0.00 56.93 56.96 1x39 s PHE 188 Cb 0.31 -2.37 -0.02 0.00 -0.34 0.00 0.00 43.02 40.60 1x39 s PHE 188 CO 0.02 0.35 0.52 0.99 -1.46 0.00 0.00 175.22 175.64 1x39 s THR 189 N 0.02 5.05 0.17 0.12 2.01 -1.26 -5.03 115.64 116.73 1x39 s THR 189 Ca 0.21 0.75 -0.33 0.00 0.31 0.00 0.00 61.69 62.63 1x39 s THR 189 Cb -0.15 -3.87 -0.15 0.00 0.01 0.00 0.00 72.50 68.35 1x39 s THR 189 CO 0.08 0.01 1.41 -0.24 -0.69 0.00 0.00 174.62 175.18 1x39 n SER 190 N 5.61 2.39 0.00 3.53 2.88 -1.26 -1.89 113.62 124.87 1x39 n SER 190 Ca -0.04 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1x39 n SER 190 Cb 0.50 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1x39 n SER 190 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x39 n GLY 191 N 2.60 2.79 3.77 0.46 0.00 -0.23 -4.81 105.19 109.77 1x39 n GLY 191 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1x39 n GLY 191 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x39 s MET 192 N -0.98 3.91 0.51 1.61 1.00 -0.79 0.21 119.30 124.77 1x39 s MET 192 Ca 0.00 1.70 -0.17 0.00 0.00 0.00 0.00 55.69 57.22 1x39 s MET 192 Cb 0.00 -2.47 -0.08 0.00 0.00 0.00 0.00 34.83 32.28 1x39 s MET 192 CO 0.00 -0.40 0.99 -1.25 0.00 0.00 0.00 175.02 174.36 1x39 s PRO 193 N -2.60 3.94 -0.13 2.03 0.04 -1.26 -4.23 135.00 132.79 1x39 s PRO 193 Ca 0.61 1.00 -0.09 0.00 0.04 0.00 0.00 61.00 62.55 1x39 s PRO 193 Cb -0.27 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.18 1x39 s PRO 193 CO 0.33 -0.28 0.33 0.12 0.04 0.00 0.00 177.00 177.54 1x39 s PHE 194 N -2.55 -0.41 -0.06 0.56 5.36 -0.47 -4.99 117.98 115.43 1x39 s PHE 194 Ca 0.60 0.95 -0.03 0.00 -0.96 0.00 0.00 56.93 57.49 1x39 s PHE 194 Cb -0.10 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.75 1x39 s PHE 194 CO 0.29 -0.23 0.13 0.08 -1.46 0.00 0.00 175.22 174.04 1x39 s VAL 195 N 0.70 -0.04 0.39 3.12 1.01 -1.26 -4.58 120.40 119.74 1x39 s VAL 195 Ca -0.04 0.14 0.16 0.00 0.00 0.00 0.00 61.98 62.24 1x39 s VAL 195 Cb -0.06 -0.21 0.16 0.00 0.00 0.00 0.00 36.38 36.27 1x39 s VAL 195 CO -0.05 0.06 1.91 0.00 0.00 0.00 0.00 175.10 177.02 1x39 h ALA 196 N 6.96 1.43 0.00 5.51 0.00 -1.16 -3.40 119.26 128.60 1x39 h ALA 196 Ca -0.39 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1x39 h ALA 196 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x39 h ALA 196 CO 0.43 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1x39 n GLY 197 N -0.61 -0.01 0.05 0.00 0.00 -1.26 -5.00 105.19 98.37 1x39 n GLY 197 Ca -0.02 -1.29 0.11 0.00 0.00 0.00 0.00 46.02 44.82 1x39 n GLY 197 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x39 n LYS 198 N 0.00 0.10 -0.23 1.61 2.85 -1.26 -2.01 118.16 119.22 1x39 n LYS 198 Ca 0.00 0.24 0.12 0.00 -1.05 0.00 0.00 58.31 57.62 1x39 n LYS 198 Cb 0.00 -1.65 0.24 0.00 -0.65 0.00 0.00 35.03 32.96 1x39 n LYS 198 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x39 n ASN 199 N -1.83 3.58 -4.54 -5.58 5.03 -1.26 -4.94 115.26 105.72 1x39 n ASN 199 Ca 0.04 -2.00 -0.25 0.00 0.87 0.00 0.00 54.58 53.25 1x39 n ASN 199 Cb 0.26 -0.30 -0.11 0.00 -1.02 0.00 0.00 39.78 38.62 1x39 n ASN 199 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1x39 s LYS 200 N -1.39 1.82 0.11 3.52 -0.14 -0.85 -4.41 119.74 118.40 1x39 s LYS 200 Ca 0.41 -2.03 0.06 0.00 -1.36 0.00 0.00 55.97 53.05 1x39 s LYS 200 Cb 0.23 -1.26 -0.04 0.00 -1.68 0.00 0.00 37.83 35.09 1x39 s LYS 200 CO 0.32 -0.13 -0.15 0.14 -0.76 0.00 0.00 175.35 174.77 1x39 s VAL 201 N -3.00 1.34 0.32 3.17 -7.23 -0.46 -4.82 120.40 109.72 1x39 s VAL 201 Ca 0.35 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.64 1x39 s VAL 201 Cb 0.09 -1.43 -0.10 0.00 0.56 0.00 0.00 36.38 35.50 1x39 s VAL 201 CO 0.16 -0.31 1.39 0.00 -0.31 0.00 0.00 175.10 176.03 1x39 s ALA 202 N -1.78 3.56 0.48 1.32 0.00 -0.44 -3.68 121.76 121.22 1x39 s ALA 202 Ca 0.06 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.45 1x39 s ALA 202 Cb -0.07 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1x39 s ALA 202 CO 0.03 -0.77 0.50 0.00 0.00 0.00 0.00 175.76 175.52 1x39 s ALA 203 N -0.77 4.36 -0.22 0.00 0.00 -1.26 -1.26 121.76 122.61 1x39 s ALA 203 Ca 0.53 -1.76 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 1x39 s ALA 203 Cb -0.42 -1.12 0.11 0.00 0.00 0.00 0.00 23.12 21.69 1x39 s ALA 203 CO 0.52 -0.43 0.27 0.00 0.00 0.00 0.00 175.76 176.12 1x39 s ALA 205 N 2.39 3.50 0.05 0.00 0.00 -0.79 -2.13 121.76 124.78 1x39 s ALA 205 Ca 0.09 0.47 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 1x39 s ALA 205 Cb -0.15 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1x39 s ALA 205 CO -0.16 -0.78 0.13 -1.59 0.00 0.00 0.00 175.76 173.37 1x39 s LYS 206 N 2.37 0.66 -0.15 0.00 -2.85 -0.79 -1.89 119.74 117.08 1x39 s LYS 206 Ca 0.52 -0.77 -0.03 0.00 -1.00 0.00 0.00 55.97 54.69 1x39 s LYS 206 Cb -0.21 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 35.80 1x39 s LYS 206 CO 0.18 -0.18 -0.07 -1.01 0.10 0.00 0.00 175.35 174.38 1x39 s HIS 207 N -2.85 2.96 -0.19 1.78 0.09 -1.26 -0.18 115.29 115.64 1x39 s HIS 207 Ca -0.03 -0.44 -0.29 0.00 -0.00 0.00 0.00 55.06 54.30 1x39 s HIS 207 Cb 0.00 -1.93 -0.00 0.00 -0.00 0.00 0.00 32.58 30.65 1x39 s HIS 207 CO -0.06 -0.12 1.10 0.12 -0.00 0.00 0.00 174.74 175.79 1x39 s PHE 208 N 0.42 3.23 0.03 1.40 5.36 0.65 -4.06 117.98 125.01 1x39 s PHE 208 Ca -0.06 1.36 -0.04 0.00 -0.96 0.00 0.00 56.93 57.23 1x39 s PHE 208 Cb -0.15 -3.33 -0.02 0.00 -0.34 0.00 0.00 43.02 39.19 1x39 s PHE 208 CO 0.04 -0.80 0.05 0.54 -1.46 0.00 0.00 175.22 173.59 1x39 s VAL 209 N 3.09 0.13 -0.05 3.12 0.11 -1.26 -0.86 120.40 124.68 1x39 s VAL 209 Ca 0.48 -1.10 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1x39 s VAL 209 Cb -0.18 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1x39 s VAL 209 CO 0.10 -0.60 0.00 0.61 -3.33 0.00 0.00 175.10 171.88 1x39 n GLY 210 N 0.97 0.40 0.34 6.54 0.00 -1.26 -4.90 105.19 107.28 1x39 n GLY 210 Ca -0.20 -1.03 0.15 0.00 0.00 0.00 0.00 46.02 44.94 1x39 n GLY 210 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1x39 h ASP 211 N 0.00 0.07 -0.26 1.61 2.03 -1.94 -1.70 116.42 116.23 1x39 h ASP 211 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1x39 h ASP 211 Cb 0.24 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1x39 h ASP 211 CO 0.01 0.04 0.00 0.61 -1.03 0.00 0.00 179.24 178.88 1x39 n GLY 212 N -1.59 0.43 0.80 7.15 0.00 -1.26 -4.20 105.19 106.52 1x39 n GLY 212 Ca 0.06 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.76 1x39 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x39 n GLY 213 N 1.08 3.52 3.80 -0.02 0.00 -0.64 -0.57 105.19 112.35 1x39 n GLY 213 Ca 0.14 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 1x39 n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x39 s THR 214 N -2.10 3.72 0.17 2.61 -4.23 -1.26 -4.28 115.64 110.27 1x39 s THR 214 Ca 0.35 1.05 -0.33 0.00 -1.18 0.00 0.00 61.69 61.58 1x39 s THR 214 Cb 0.25 -3.43 -0.13 0.00 1.34 0.00 0.00 72.50 70.54 1x39 s THR 214 CO 0.12 -0.26 1.69 0.55 -0.54 0.00 0.00 174.62 176.18 1x39 n VAL 215 N -1.11 0.07 -1.46 2.29 3.14 0.07 -1.79 118.33 119.55 1x39 n VAL 215 Ca 0.09 -0.01 -0.16 0.00 -2.96 0.00 0.00 64.34 61.30 1x39 n VAL 215 Cb 0.52 -1.82 -0.07 0.00 -1.06 0.00 0.00 33.84 31.41 1x39 n VAL 215 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1x39 n ASP 216 N 4.09 -4.84 -1.67 6.55 8.00 -1.26 -1.63 116.55 125.79 1x39 n ASP 216 Ca 0.17 0.40 -0.18 0.00 0.71 0.00 0.00 54.79 55.89 1x39 n ASP 216 Cb 0.33 -4.17 -0.05 0.00 -0.02 0.00 0.00 41.12 37.20 1x39 n ASP 216 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x39 n GLY 217 N -0.21 0.93 3.67 0.44 0.00 -0.74 -4.59 105.19 104.69 1x39 n GLY 217 Ca -0.16 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1x39 n GLY 217 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x39 s ILE 218 N -2.77 3.58 0.31 -0.61 1.01 -0.64 -3.40 121.20 118.68 1x39 s ILE 218 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 60.65 61.16 1x39 s ILE 218 Cb 0.00 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 1x39 s ILE 218 CO 0.00 -0.05 1.50 0.21 0.00 0.00 0.00 174.94 176.60 1x39 s ASN 219 N 2.89 6.46 -0.11 3.58 3.04 -1.26 -2.45 114.94 127.09 1x39 s ASN 219 Ca 0.71 2.89 0.00 0.00 0.04 0.00 0.00 52.86 56.50 1x39 s ASN 219 Cb -0.33 -2.64 0.00 0.00 -1.54 0.00 0.00 41.25 36.74 1x39 s ASN 219 CO 0.28 -0.82 0.00 -0.62 -3.04 0.00 0.00 177.10 172.90 1x39 n GLU 220 N 1.58 -1.14 0.00 0.43 1.02 -1.26 -4.98 120.64 116.29 1x39 n GLU 220 Ca 0.05 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1x39 n GLU 220 Cb 0.39 -4.23 0.00 0.00 -0.02 0.00 0.00 31.44 27.58 1x39 n GLU 220 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1x39 n ASN 221 N -0.53 0.00 -4.71 1.62 2.85 -1.02 -4.01 115.26 109.45 1x39 n ASN 221 Ca -0.01 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.09 1x39 n ASN 221 Cb 0.30 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.25 1x39 n ASN 221 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1x39 s ASN 222 N -1.00 6.51 -0.44 1.20 2.47 -1.26 -1.04 114.94 121.37 1x39 s ASN 222 Ca 0.00 0.60 -0.16 0.00 0.42 0.00 0.00 52.86 53.71 1x39 s ASN 222 Cb 0.00 -2.22 0.04 0.00 -1.45 0.00 0.00 41.25 37.61 1x39 s ASN 222 CO 0.00 0.03 0.42 -0.89 -3.72 0.00 0.00 177.10 172.93 1x39 s THR 223 N 0.72 5.14 -0.47 -5.21 2.01 0.17 -0.75 115.64 117.24 1x39 s THR 223 Ca 0.20 -0.63 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 1x39 s THR 223 Cb -0.14 -4.07 0.09 0.00 0.01 0.00 0.00 72.50 68.39 1x39 s THR 223 CO 0.07 -0.49 0.38 -0.63 -0.69 0.00 0.00 174.62 173.26 1x39 s ILE 224 N 1.96 4.88 -0.12 1.82 1.01 -1.26 -1.11 121.20 128.38 1x39 s ILE 224 Ca 0.09 -1.32 -0.29 0.00 0.00 0.00 0.00 60.65 59.13 1x39 s ILE 224 Cb -0.20 -4.01 0.07 0.00 0.01 0.00 0.00 42.46 38.34 1x39 s ILE 224 CO 0.11 -0.65 0.70 -0.51 0.00 0.00 0.00 174.94 174.59 1x39 s ILE 225 N 1.55 0.00 0.90 2.92 2.07 -1.26 -5.02 121.20 122.36 1x39 s ILE 225 Ca 0.04 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.16 1x39 s ILE 225 Cb -0.25 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.46 1x39 s ILE 225 CO 0.04 0.00 1.09 0.54 -1.91 0.00 0.00 174.94 174.70 1x39 s ASN 226 N -0.70 3.49 0.23 4.50 2.20 -1.26 -4.76 114.94 118.64 1x39 s ASN 226 Ca -0.07 1.40 -0.07 0.00 -0.94 0.00 0.00 52.86 53.18 1x39 s ASN 226 Cb -0.02 -2.09 0.29 0.00 -2.00 0.00 0.00 41.25 37.44 1x39 s ASN 226 CO 0.07 -2.62 1.83 -0.09 -2.94 0.00 0.00 177.10 173.36 1x39 h ARG 227 N -1.53 0.83 -0.46 3.55 2.43 -2.02 -1.00 114.38 116.18 1x39 h ARG 227 Ca -0.50 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 58.71 1x39 h ARG 227 Cb 1.29 -0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 30.57 1x39 h ARG 227 CO 0.56 0.55 -0.08 1.49 -1.51 0.00 0.00 179.97 180.98 1x39 h GLU 228 N 0.86 0.03 -0.56 0.20 4.81 -1.98 0.13 114.58 118.06 1x39 h GLU 228 Ca 0.34 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.47 1x39 h GLU 228 Cb 0.17 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1x39 h GLU 228 CO -0.17 0.02 -0.04 0.78 -0.73 0.00 0.00 179.01 178.87 1x39 h GLY 229 N 0.03 1.10 0.74 1.92 0.00 -1.75 -0.94 103.07 104.18 1x39 h GLY 229 Ca 0.22 -0.84 0.04 0.00 0.00 0.00 0.00 47.33 46.75 1x39 h GLY 229 CO -0.44 0.77 0.17 -2.00 0.00 0.00 0.00 176.54 175.04 1x39 h LEU 230 N 0.90 0.23 -0.68 3.11 7.12 -0.78 -1.66 115.31 123.55 1x39 h LEU 230 Ca 0.15 0.03 -0.10 0.00 0.13 0.00 0.00 57.88 58.10 1x39 h LEU 230 Cb 0.60 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.70 1x39 h LEU 230 CO 0.04 0.17 -0.46 0.24 -0.13 0.00 0.00 178.44 178.30 1x39 h MET 231 N 0.36 0.00 0.00 1.25 2.86 -0.52 -1.10 114.93 117.78 1x39 h MET 231 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1x39 h MET 231 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1x39 h MET 231 CO -0.14 0.46 -1.23 0.27 1.06 0.00 0.00 176.91 177.32 1x39 n ASN 232 N -3.48 0.54 -0.03 1.22 6.94 -0.38 -3.94 115.26 116.14 1x39 n ASN 232 Ca 0.00 -0.10 -0.08 0.00 -0.02 0.00 0.00 54.58 54.38 1x39 n ASN 232 Cb 0.59 1.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.98 1x39 n ASN 232 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1x39 n ILE 233 N -2.14 0.93 0.04 1.53 5.41 -0.64 -4.79 119.36 119.70 1x39 n ILE 233 Ca 0.00 0.05 0.05 0.00 1.00 0.00 0.00 62.75 63.86 1x39 n ILE 233 Cb 0.48 -1.75 -0.08 0.00 -0.71 0.00 0.00 39.64 37.58 1x39 n ILE 233 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1x39 n HIS 234 N -3.66 0.68 -0.01 1.39 8.25 -0.49 -4.42 115.22 116.96 1x39 n HIS 234 Ca -0.14 0.21 -0.16 0.00 -0.26 0.00 0.00 57.72 57.37 1x39 n HIS 234 Cb 0.45 -0.91 -0.14 0.00 1.12 0.00 0.00 29.99 30.51 1x39 n HIS 234 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1x39 n MET 235 N -2.67 0.71 -0.28 -0.41 0.00 -0.75 -4.54 117.12 109.18 1x39 n MET 235 Ca -0.07 0.28 0.09 0.00 0.00 0.00 0.00 57.70 57.99 1x39 n MET 235 Cb 0.71 -1.74 0.23 0.00 0.00 0.00 0.00 33.22 32.41 1x39 n MET 235 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1x39 h PRO 236 N 0.04 0.18 0.00 2.12 0.11 -1.77 0.25 132.00 132.93 1x39 h PRO 236 Ca -0.37 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 1x39 h PRO 236 Cb 2.03 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 33.10 1x39 h PRO 236 CO 0.09 0.12 -0.08 0.00 -0.21 0.00 0.00 178.00 177.91 1x39 h ALA 237 N 1.73 1.46 -0.47 -0.75 0.00 -1.87 -1.61 119.26 117.75 1x39 h ALA 237 Ca 0.48 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 1x39 h ALA 237 Cb 0.91 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1x39 h ALA 237 CO -0.64 0.10 0.05 1.88 0.00 0.00 0.00 179.25 180.64 1x39 h TYR 238 N 0.00 0.78 -0.46 0.00 -1.99 -1.23 0.13 116.97 114.20 1x39 h TYR 238 Ca -0.00 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.59 1x39 h TYR 238 Cb 0.20 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 1x39 h TYR 238 CO 0.00 0.71 0.09 -0.22 -0.00 0.00 0.00 178.16 178.74 1x39 h LYS 239 N 0.71 0.75 -0.89 4.88 1.63 -1.33 -0.56 116.57 121.77 1x39 h LYS 239 Ca 0.15 -0.19 0.05 0.00 -0.85 0.00 0.00 60.65 59.80 1x39 h LYS 239 Cb 0.37 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.85 1x39 h LYS 239 CO 0.01 0.76 0.57 -0.91 -3.45 0.00 0.00 179.45 176.42 1x39 h ASN 240 N 0.62 0.92 -0.52 4.20 4.21 -1.29 -0.82 115.58 122.90 1x39 h ASN 240 Ca 0.14 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.67 1x39 h ASN 240 Cb 0.36 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.33 1x39 h ASN 240 CO 0.01 0.61 0.33 0.00 -1.29 0.00 0.00 177.43 177.09 1x39 h ALA 241 N 1.39 0.67 -0.44 -0.83 0.00 -0.62 -2.00 119.26 117.43 1x39 h ALA 241 Ca 0.37 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.30 1x39 h ALA 241 Cb 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1x39 h ALA 241 CO -0.14 0.07 0.17 0.52 0.00 0.00 0.00 179.25 179.87 1x39 h MET 242 N 0.68 0.34 0.00 0.00 2.86 -0.57 -1.84 114.93 116.39 1x39 h MET 242 Ca 0.20 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1x39 h MET 242 Cb -0.04 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 1x39 h MET 242 CO -0.06 0.22 -0.04 -0.44 1.06 0.00 0.00 176.91 177.65 1x39 h ASP 243 N 0.35 0.00 -0.66 1.22 3.32 -0.69 -0.42 116.42 119.54 1x39 h ASP 243 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1x39 h ASP 243 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1x39 h ASP 243 CO -0.19 0.04 0.00 0.29 -1.72 0.00 0.00 179.24 177.66 1x39 n LYS 244 N -3.96 2.83 -2.53 3.56 5.02 -0.79 -4.81 118.16 117.46 1x39 n LYS 244 Ca -0.03 -2.57 -0.13 0.00 -2.02 0.00 0.00 58.31 53.56 1x39 n LYS 244 Cb 0.13 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 1x39 n LYS 244 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x39 n GLY 245 N 1.39 -0.09 3.64 0.72 0.00 -0.81 -4.64 105.19 105.40 1x39 n GLY 245 Ca 0.22 -0.28 -0.47 0.00 0.00 0.00 0.00 46.02 45.49 1x39 n GLY 245 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x39 n VAL 246 N -4.01 0.62 0.09 1.61 3.14 -0.75 -1.37 118.33 117.66 1x39 n VAL 246 Ca -0.10 -0.16 -0.11 0.00 -2.96 0.00 0.00 64.34 61.01 1x39 n VAL 246 Cb 0.59 -1.24 -0.09 0.00 -1.06 0.00 0.00 33.84 32.05 1x39 n VAL 246 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1x39 h SER 247 N 4.37 0.25 -5.24 6.55 0.02 -1.81 -3.41 113.55 114.29 1x39 h SER 247 Ca -0.45 -0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 60.13 1x39 h SER 247 Cb 1.30 -0.08 -0.15 0.00 0.14 0.00 0.00 62.40 63.61 1x39 h SER 247 CO 0.77 1.14 -0.68 0.42 -1.14 0.00 0.00 176.83 177.34 1x39 s THR 248 N -2.87 0.22 -0.04 -2.27 -4.23 -0.95 -2.46 115.64 103.05 1x39 s THR 248 Ca -0.02 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 1x39 s THR 248 Cb 0.09 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.38 1x39 s THR 248 CO 0.85 -0.95 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.23 1x39 s VAL 249 N -3.92 0.56 -0.16 2.29 1.01 -0.85 -1.88 120.40 117.45 1x39 s VAL 249 Ca 0.09 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1x39 s VAL 249 Cb 0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1x39 s VAL 249 CO -0.09 0.22 0.12 -0.32 0.00 0.00 0.00 175.10 175.04 1x39 s MET 250 N 0.78 3.80 0.33 2.72 0.00 -0.80 -0.82 119.30 125.31 1x39 s MET 250 Ca -0.11 -0.20 -0.26 0.00 0.00 0.00 0.00 55.69 55.12 1x39 s MET 250 Cb -0.14 -3.27 -0.10 0.00 0.00 0.00 0.00 34.83 31.32 1x39 s MET 250 CO 0.00 0.52 0.95 0.42 0.00 0.00 0.00 175.02 176.92 1x39 s ILE 251 N -0.28 4.17 0.30 10.11 -1.09 -0.37 -0.25 121.20 133.79 1x39 s ILE 251 Ca 0.11 1.78 -0.27 0.00 -2.23 0.00 0.00 60.65 60.03 1x39 s ILE 251 Cb -0.12 -3.98 -0.10 0.00 -1.58 0.00 0.00 42.46 36.69 1x39 s ILE 251 CO 0.01 0.13 0.96 -0.55 -1.23 0.00 0.00 174.94 174.25 1x39 s SER 252 N -1.61 7.41 0.55 3.58 0.15 -0.04 -3.61 113.70 120.13 1x39 s SER 252 Ca 0.51 1.91 0.24 0.00 0.70 0.00 0.00 55.95 59.30 1x39 s SER 252 Cb -0.19 -2.59 1.51 0.00 -1.71 0.00 0.00 66.02 63.04 1x39 s SER 252 CO 0.24 -0.01 2.13 1.88 1.20 0.00 0.00 173.24 178.68 1x39 h TYR 253 N 3.51 0.00 -3.52 3.44 0.99 -1.91 -3.36 116.97 116.11 1x39 h TYR 253 Ca -0.46 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 59.84 1x39 h TYR 253 Cb 1.20 0.00 0.19 0.00 1.00 0.00 0.00 36.73 39.11 1x39 h TYR 253 CO 0.61 0.00 0.09 -1.54 -0.00 0.00 0.00 178.16 177.32 1x39 s SER 254 N -6.40 1.36 0.25 3.88 1.04 -1.26 -4.70 113.70 107.88 1x39 s SER 254 Ca -0.05 1.11 0.11 0.00 0.48 0.00 0.00 55.95 57.59 1x39 s SER 254 Cb 0.17 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.55 1x39 s SER 254 CO 0.62 -3.91 -0.12 -0.44 0.98 0.00 0.00 173.24 170.37 1x39 s SER 255 N -3.26 3.98 -0.18 7.02 0.01 -0.21 -1.76 113.70 119.31 1x39 s SER 255 Ca 0.68 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 57.12 1x39 s SER 255 Cb -0.18 -0.53 0.03 0.00 0.21 0.00 0.00 66.02 65.55 1x39 s SER 255 CO 0.59 0.04 -0.13 0.86 0.41 0.00 0.00 173.24 175.01 1x39 s TRP 256 N -2.26 2.44 -1.62 2.43 -0.00 -0.03 -0.66 118.94 119.24 1x39 s TRP 256 Ca 0.29 -1.51 -0.12 0.00 -0.00 0.00 0.00 56.10 54.76 1x39 s TRP 256 Cb -0.06 -1.69 0.11 0.00 -0.00 0.00 0.00 33.47 31.83 1x39 s TRP 256 CO 0.16 -0.74 0.61 0.09 -0.00 0.00 0.00 176.95 177.07 1x39 n ASN 257 N 4.69 -2.04 0.00 5.86 3.02 -0.27 -1.87 115.26 124.66 1x39 n ASN 257 Ca -0.17 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1x39 n ASN 257 Cb 0.48 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1x39 n ASN 257 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x39 n GLY 258 N -1.65 1.07 3.58 7.41 0.00 -1.26 -5.03 105.19 109.31 1x39 n GLY 258 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1x39 n GLY 258 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x39 s VAL 259 N -3.08 4.98 0.17 1.61 1.01 -0.78 -5.04 120.40 119.26 1x39 s VAL 259 Ca 0.00 0.05 -0.32 0.00 0.00 0.00 0.00 61.98 61.71 1x39 s VAL 259 Cb 0.00 -3.33 -0.12 0.00 0.00 0.00 0.00 36.38 32.93 1x39 s VAL 259 CO 0.00 0.33 1.74 0.29 0.00 0.00 0.00 175.10 177.46 1x39 n LYS 260 N 4.57 2.66 -0.33 2.72 4.76 -1.26 -0.85 118.16 130.43 1x39 n LYS 260 Ca -0.15 0.96 0.10 0.00 -2.87 0.00 0.00 58.31 56.35 1x39 n LYS 260 Cb 0.52 -2.81 0.27 0.00 -1.84 0.00 0.00 35.03 31.17 1x39 n LYS 260 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1x39 h MET 261 N 7.20 0.68 0.00 1.97 2.86 -1.54 -0.98 114.93 125.12 1x39 h MET 261 Ca -0.44 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1x39 h MET 261 Cb 1.22 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1x39 h MET 261 CO 0.94 0.45 0.00 0.72 1.06 0.00 0.00 176.91 180.09 1x39 n HIS 262 N -4.81 0.07 -0.03 -0.22 8.25 -1.26 -1.98 115.22 115.24 1x39 n HIS 262 Ca 0.20 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1x39 n HIS 262 Cb 0.50 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1x39 n HIS 262 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x39 n ALA 263 N -1.53 2.01 -3.06 -1.41 0.00 -0.41 -3.83 120.51 112.28 1x39 n ALA 263 Ca 0.01 -0.94 -0.45 0.00 0.00 0.00 0.00 53.44 52.07 1x39 n ALA 263 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 1x39 n ALA 263 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x39 s ASN 264 N -0.88 6.60 0.20 0.00 3.84 -0.84 -4.79 114.94 119.07 1x39 s ASN 264 Ca 0.00 -2.12 -0.09 0.00 0.21 0.00 0.00 52.86 50.86 1x39 s ASN 264 Cb 0.00 -2.34 0.13 0.00 -0.55 0.00 0.00 41.25 38.50 1x39 s ASN 264 CO 0.00 -0.95 1.76 -0.61 -2.79 0.00 0.00 177.10 174.51 1x39 h GLN 265 N 8.61 1.12 -0.75 0.43 4.15 -1.89 -1.34 115.11 125.44 1x39 h GLN 265 Ca 0.08 -0.21 0.08 0.00 0.77 0.00 0.00 58.65 59.36 1x39 h GLN 265 Cb 1.04 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.48 1x39 h GLN 265 CO 1.01 0.92 0.42 -0.44 -1.93 0.00 0.00 178.83 178.81 1x39 h ASP 266 N 1.08 0.61 0.09 -0.69 5.19 -1.89 0.96 116.42 121.77 1x39 h ASP 266 Ca 0.25 0.04 -0.22 0.00 -0.62 0.00 0.00 57.03 56.47 1x39 h ASP 266 Cb 0.23 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 1x39 h ASP 266 CO -0.02 0.37 -1.12 -0.07 -3.12 0.00 0.00 179.24 175.28 1x39 h LEU 267 N 0.74 0.31 0.01 1.55 3.38 -1.91 -0.21 115.31 119.18 1x39 h LEU 267 Ca 0.35 -0.85 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1x39 h LEU 267 Cb 0.28 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1x39 h LEU 267 CO -0.22 1.49 -0.00 0.58 0.09 0.00 0.00 178.44 180.38 1x39 h VAL 268 N -0.48 1.35 0.00 1.22 2.07 -1.22 0.74 116.25 119.93 1x39 h VAL 268 Ca -0.24 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.08 1x39 h VAL 268 Cb 1.60 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1x39 h VAL 268 CO 0.04 0.28 -0.89 0.74 0.02 0.00 0.00 177.57 177.76 1x39 h THR 269 N -0.47 0.52 -0.81 2.57 2.02 -0.83 -2.34 112.91 113.57 1x39 h THR 269 Ca -0.00 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.52 1x39 h THR 269 Cb 0.46 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 1x39 h THR 269 CO 0.00 0.18 0.49 1.23 0.37 0.00 0.00 175.52 177.79 1x39 h GLY 270 N -1.00 1.18 0.00 2.16 0.00 -0.79 0.16 103.07 104.78 1x39 h GLY 270 Ca -0.19 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1x39 h GLY 270 CO -0.11 0.48 -0.58 2.98 0.00 0.00 0.00 176.54 179.31 1x39 n TYR 271 N -4.45 0.11 0.23 5.60 9.36 -0.14 -3.02 117.16 124.85 1x39 n TYR 271 Ca 0.08 0.05 -0.15 0.00 3.32 0.00 0.00 57.90 61.20 1x39 n TYR 271 Cb 0.06 -0.37 -0.08 0.00 -0.63 0.00 0.00 39.34 38.33 1x39 n TYR 271 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1x39 h LEU 272 N -0.64 -0.74 -0.00 2.98 5.85 -0.90 0.43 115.31 122.29 1x39 h LEU 272 Ca 0.00 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1x39 h LEU 272 Cb 0.58 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1x39 h LEU 272 CO 0.00 -0.43 -0.09 0.11 -0.34 0.00 0.00 178.44 177.69 1x39 h LYS 273 N -0.66 0.07 0.00 1.25 1.57 -1.32 -2.53 116.57 114.95 1x39 h LYS 273 Ca -0.03 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 1x39 h LYS 273 Cb 0.57 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1x39 h LYS 273 CO -0.00 0.82 -1.02 -0.44 -0.57 0.00 0.00 179.45 178.24 1x39 h ASP 274 N -0.65 0.00 0.00 0.86 5.19 -0.74 -2.67 116.42 118.41 1x39 h ASP 274 Ca -0.01 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.09 1x39 h ASP 274 Cb 0.85 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.31 1x39 h ASP 274 CO 0.02 0.41 -2.07 0.41 -3.12 0.00 0.00 179.24 174.88 1x39 n THR 275 N -2.94 1.06 0.70 0.35 -1.04 -0.32 -4.52 114.28 107.56 1x39 n THR 275 Ca -0.04 -0.31 0.13 0.00 -2.04 0.00 0.00 64.05 61.79 1x39 n THR 275 Cb 0.74 -1.57 0.47 0.00 -1.82 0.00 0.00 70.33 68.14 1x39 n THR 275 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1x39 n LEU 276 N -3.61 0.52 -2.79 -4.42 4.77 -0.01 -4.93 117.00 106.52 1x39 n LEU 276 Ca -0.36 0.56 -0.21 0.00 -0.03 0.00 0.00 56.01 55.97 1x39 n LEU 276 Cb 0.79 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1x39 n LEU 276 CO 0.07 -0.18 -0.02 0.29 -1.33 0.00 0.00 177.39 176.22 1x39 n LYS 277 N -2.00 -4.40 -1.83 3.23 4.76 -1.01 -4.49 118.16 112.43 1x39 n LYS 277 Ca 0.05 0.86 -0.42 0.00 -2.87 0.00 0.00 58.31 55.94 1x39 n LYS 277 Cb 0.37 -5.60 -0.03 0.00 -1.84 0.00 0.00 35.03 27.93 1x39 n LYS 277 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1x39 s PHE 278 N -3.13 2.54 -0.05 2.13 5.36 -0.97 -4.40 117.98 119.46 1x39 s PHE 278 Ca 0.26 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 1x39 s PHE 278 Cb -0.12 -4.06 0.01 0.00 -0.34 0.00 0.00 43.02 38.52 1x39 s PHE 278 CO 0.33 -4.18 0.72 1.63 -1.46 0.00 0.00 175.22 172.26 1x39 n LYS 279 N 5.03 0.69 -0.03 10.12 4.76 0.13 -4.66 118.16 134.20 1x39 n LYS 279 Ca 0.16 -0.94 0.00 0.00 -2.87 0.00 0.00 58.31 54.66 1x39 n LYS 279 Cb 0.38 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 1x39 n LYS 279 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x39 n GLY 280 N -0.17 -0.62 3.75 0.72 0.00 -1.25 -4.67 105.19 102.95 1x39 n GLY 280 Ca 0.00 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 1x39 n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x39 s PHE 281 N -0.18 3.19 -0.23 1.61 -0.12 -1.03 -4.83 117.98 116.39 1x39 s PHE 281 Ca 0.00 0.13 -0.10 0.00 -0.05 0.00 0.00 56.93 56.90 1x39 s PHE 281 Cb 0.00 -1.68 -0.05 0.00 -0.63 0.00 0.00 43.02 40.66 1x39 s PHE 281 CO 0.00 0.52 0.15 0.08 -0.05 0.00 0.00 175.22 175.92 1x39 s VAL 282 N -1.24 5.36 0.00 -2.49 1.01 -1.26 -2.01 120.40 119.78 1x39 s VAL 282 Ca 0.24 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.45 1x39 s VAL 282 Cb -0.12 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1x39 s VAL 282 CO 0.16 0.36 -0.13 -0.51 0.00 0.00 0.00 175.10 174.97 1x39 s ILE 283 N 0.95 3.14 0.84 2.22 2.07 0.00 -0.64 121.20 129.77 1x39 s ILE 283 Ca 0.08 -0.92 -0.11 0.00 -1.41 0.00 0.00 60.65 58.29 1x39 s ILE 283 Cb -0.13 -2.31 0.09 0.00 0.13 0.00 0.00 42.46 40.24 1x39 s ILE 283 CO 0.03 0.43 1.09 -0.94 -1.91 0.00 0.00 174.94 173.65 1x39 s SER 284 N -1.22 4.01 0.96 4.50 1.04 -0.50 -1.23 113.70 121.26 1x39 s SER 284 Ca 0.14 1.54 -0.14 0.00 0.48 0.00 0.00 55.95 57.98 1x39 s SER 284 Cb -0.11 -2.24 0.21 0.00 0.10 0.00 0.00 66.02 63.98 1x39 s SER 284 CO 0.05 -2.31 1.25 -0.67 0.98 0.00 0.00 173.24 172.54 1x39 n ASP 285 N -3.67 0.30 -4.63 7.02 -0.08 -1.24 -4.33 116.55 109.92 1x39 n ASP 285 Ca 0.07 -1.58 -0.43 0.00 -1.51 0.00 0.00 54.79 51.35 1x39 n ASP 285 Cb 0.55 -0.94 -0.02 0.00 2.34 0.00 0.00 41.12 43.05 1x39 n ASP 285 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1x39 s TRP 286 N -3.71 2.72 -1.54 -0.67 -0.11 -1.26 -1.41 118.94 112.95 1x39 s TRP 286 Ca 0.72 0.88 0.00 0.00 1.22 0.00 0.00 56.10 58.92 1x39 s TRP 286 Cb -0.02 -3.94 0.00 0.00 -1.50 0.00 0.00 33.47 28.01 1x39 s TRP 286 CO 0.50 -1.62 0.00 0.39 -4.62 0.00 0.00 176.95 171.60 1x39 n GLU 287 N 7.34 -1.74 -0.35 5.86 1.02 -1.07 -4.87 120.64 126.83 1x39 n GLU 287 Ca 0.14 0.87 -0.01 0.00 -0.02 0.00 0.00 57.16 58.14 1x39 n GLU 287 Cb 0.47 -5.38 0.15 0.00 -0.02 0.00 0.00 31.44 26.65 1x39 n GLU 287 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x39 h GLY 288 N 0.00 1.37 1.36 0.62 0.00 -1.48 -2.23 103.07 102.71 1x39 h GLY 288 Ca -0.37 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.30 1x39 h GLY 288 CO 0.48 0.47 -0.46 0.16 0.00 0.00 0.00 176.54 177.18 1x39 h ILE 289 N 1.28 1.30 -0.94 2.60 3.07 -1.90 -2.77 117.51 120.14 1x39 h ILE 289 Ca 0.36 -1.66 0.14 0.00 1.55 0.00 0.00 64.86 65.26 1x39 h ILE 289 Cb -0.09 1.59 -0.08 0.00 -0.27 0.00 0.00 36.82 37.97 1x39 h ILE 289 CO -0.09 0.53 0.60 0.44 -1.05 0.00 0.00 178.15 178.58 1x39 h ASP 290 N 0.55 0.76 -0.14 2.16 5.19 -1.79 -2.25 116.42 120.90 1x39 h ASP 290 Ca 0.03 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1x39 h ASP 290 Cb 1.02 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.43 1x39 h ASP 290 CO 0.10 0.38 0.00 0.54 -3.12 0.00 0.00 179.24 177.13 1x39 n ARG 291 N -4.60 1.53 -0.34 3.56 1.74 -0.89 -0.63 116.66 117.03 1x39 n ARG 291 Ca 0.18 -0.80 -0.03 0.00 -0.77 0.00 0.00 57.85 56.43 1x39 n ARG 291 Cb 0.44 -1.33 0.09 0.00 -1.02 0.00 0.00 32.46 30.64 1x39 n ARG 291 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1x39 h ILE 292 N 1.56 1.24 -3.01 0.55 2.04 -1.35 -3.45 117.51 115.08 1x39 h ILE 292 Ca 0.00 -0.46 -0.48 0.00 1.00 0.00 0.00 64.86 64.92 1x39 h ILE 292 Cb 0.34 -0.10 0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1x39 h ILE 292 CO 0.00 0.24 -0.09 0.42 0.00 0.00 0.00 178.15 178.71 1x39 s THR 293 N -6.08 4.89 -0.17 -0.27 -4.23 -1.19 -4.96 115.64 103.64 1x39 s THR 293 Ca -0.13 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1x39 s THR 293 Cb 0.17 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 70.23 1x39 s THR 293 CO 0.81 -0.61 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.27 1x39 s THR 294 N -2.47 1.57 0.80 3.99 2.01 -1.26 -2.38 115.64 117.91 1x39 s THR 294 Ca 0.43 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.55 1x39 s THR 294 Cb -0.10 -1.54 0.08 0.00 0.01 0.00 0.00 72.50 70.95 1x39 s THR 294 CO 0.39 0.35 1.17 -2.84 -0.69 0.00 0.00 174.62 173.00 1x39 s PRO 295 N 1.46 1.74 0.32 4.92 0.02 -1.26 -4.98 135.00 137.22 1x39 s PRO 295 Ca 0.03 1.61 -0.29 0.00 0.02 0.00 0.00 61.00 62.37 1x39 s PRO 295 Cb -0.14 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.45 1x39 s PRO 295 CO -0.10 -2.11 1.38 0.00 -0.33 0.00 0.00 177.00 175.85 1x39 n ALA 296 N -3.38 1.55 -0.96 -1.55 0.00 -1.00 -2.54 120.51 112.63 1x39 n ALA 296 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1x39 n ALA 296 Cb 0.51 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1x39 n ALA 296 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x39 n GLY 297 N 1.24 0.53 0.03 0.00 0.00 0.19 -4.90 105.19 102.29 1x39 n GLY 297 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1x39 n GLY 297 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x39 n SER 298 N -0.14 0.23 -3.00 1.61 3.41 -1.05 -4.14 113.62 110.53 1x39 n SER 298 Ca 0.00 0.53 -0.14 0.00 -0.26 0.00 0.00 58.87 59.00 1x39 n SER 298 Cb 0.07 -0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 63.41 1x39 n SER 298 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1x39 n ASP 299 N -1.72 -2.03 0.13 4.04 -0.08 -1.26 -5.01 116.55 110.62 1x39 n ASP 299 Ca 0.06 -2.80 0.02 0.00 -1.51 0.00 0.00 54.79 50.56 1x39 n ASP 299 Cb 0.34 0.79 0.39 0.00 2.34 0.00 0.00 41.12 44.98 1x39 n ASP 299 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1x39 h TYR 300 N 4.86 0.21 -0.30 -0.67 3.20 -1.96 -1.36 116.97 120.95 1x39 h TYR 300 Ca 0.08 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.97 1x39 h TYR 300 Cb 1.01 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 1x39 h TYR 300 CO 0.17 0.37 0.06 1.03 -1.64 0.00 0.00 178.16 178.14 1x39 h SER 301 N 0.19 0.02 -0.43 -2.11 0.87 -1.95 -0.77 113.55 109.36 1x39 h SER 301 Ca 0.04 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1x39 h SER 301 Cb 0.41 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1x39 h SER 301 CO 0.03 0.04 0.27 0.22 -0.53 0.00 0.00 176.83 176.86 1x39 h TYR 302 N 0.17 0.57 -0.63 2.24 3.20 -1.81 -1.91 116.97 118.80 1x39 h TYR 302 Ca 0.14 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.12 1x39 h TYR 302 Cb 0.15 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.15 1x39 h TYR 302 CO -0.17 0.39 0.21 0.77 -1.64 0.00 0.00 178.16 177.72 1x39 h SER 303 N 0.58 0.17 -0.14 -2.11 0.02 -0.80 0.35 113.55 111.61 1x39 h SER 303 Ca 0.16 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1x39 h SER 303 Cb -0.02 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1x39 h SER 303 CO -0.03 0.09 -0.00 0.58 -1.14 0.00 0.00 176.83 176.33 1x39 h VAL 304 N 0.37 1.26 0.03 2.27 2.07 -1.02 -1.89 116.25 119.33 1x39 h VAL 304 Ca 0.33 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1x39 h VAL 304 Cb 0.45 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1x39 h VAL 304 CO -0.35 0.25 -0.02 0.50 0.02 0.00 0.00 177.57 177.96 1x39 h LYS 305 N -0.01 -0.05 -0.12 1.57 3.64 -0.70 -1.73 116.57 119.17 1x39 h LYS 305 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1x39 h LYS 305 Cb 0.38 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1x39 h LYS 305 CO 0.01 -0.03 0.08 0.00 -2.27 0.00 0.00 179.45 177.23 1x39 h ALA 306 N 0.93 0.15 -0.18 5.00 0.00 -0.32 -1.60 119.26 123.23 1x39 h ALA 306 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1x39 h ALA 306 Cb 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1x39 h ALA 306 CO -0.00 -0.35 -0.37 0.66 0.00 0.00 0.00 179.25 179.18 1x39 h SER 307 N 0.15 0.64 -0.40 0.00 4.64 -1.29 -0.65 113.55 116.65 1x39 h SER 307 Ca 0.04 -0.55 -0.09 0.00 -0.47 0.00 0.00 61.79 60.72 1x39 h SER 307 Cb -0.00 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1x39 h SER 307 CO -0.01 1.08 -0.10 0.40 -0.87 0.00 0.00 176.83 177.33 1x39 h ILE 308 N 0.24 1.28 0.00 0.95 1.08 -1.35 -2.39 117.51 117.32 1x39 h ILE 308 Ca 0.01 -1.19 -0.07 0.00 -0.39 0.00 0.00 64.86 63.22 1x39 h ILE 308 Cb 0.97 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.93 1x39 h ILE 308 CO 0.08 0.40 -0.31 -0.07 -0.69 0.00 0.00 178.15 177.56 1x39 h LEU 309 N 0.59 0.00 -1.58 1.44 3.38 -1.28 -2.30 115.31 115.56 1x39 h LEU 309 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1x39 h LEU 309 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1x39 h LEU 309 CO 0.04 0.31 -0.17 0.00 0.09 0.00 0.00 178.44 178.72 1x39 h ALA 310 N 1.69 1.16 0.00 1.53 0.00 -0.78 -3.47 119.26 119.39 1x39 h ALA 310 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1x39 h ALA 310 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1x39 h ALA 310 CO 0.04 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1x39 n GLY 311 N -0.33 1.32 3.76 0.00 0.00 -0.86 -3.26 105.19 105.83 1x39 n GLY 311 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1x39 n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x39 s LEU 312 N 0.00 4.11 -0.20 0.99 1.02 -0.93 -4.83 118.68 118.85 1x39 s LEU 312 Ca 0.00 2.71 -0.01 0.00 0.02 0.00 0.00 54.13 56.84 1x39 s LEU 312 Cb 0.00 -4.00 -0.12 0.00 0.02 0.00 0.00 46.19 42.09 1x39 s LEU 312 CO 0.00 -1.06 -0.20 0.47 0.02 0.00 0.00 176.35 175.59 1x39 n ASP 313 N -0.20 2.23 -4.15 2.29 10.43 0.18 -4.66 116.55 122.67 1x39 n ASP 313 Ca 0.05 -0.02 -0.27 0.00 2.57 0.00 0.00 54.79 57.13 1x39 n ASP 313 Cb 0.44 -0.39 -0.16 0.00 1.84 0.00 0.00 41.12 42.85 1x39 n ASP 313 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1x39 s MET 314 N -2.39 1.95 -0.23 -1.24 0.00 -0.30 -4.61 119.30 112.47 1x39 s MET 314 Ca -0.27 -0.65 -0.06 0.00 0.00 0.00 0.00 55.69 54.71 1x39 s MET 314 Cb 0.08 -1.66 -0.02 0.00 0.00 0.00 0.00 34.83 33.22 1x39 s MET 314 CO 0.43 0.24 0.04 0.42 0.00 0.00 0.00 175.02 176.15 1x39 s ILE 315 N 0.07 4.09 -0.97 10.11 -1.09 0.19 -1.40 121.20 132.20 1x39 s ILE 315 Ca -0.05 -0.25 -0.24 0.00 -2.23 0.00 0.00 60.65 57.88 1x39 s ILE 315 Cb -0.12 -2.89 0.05 0.00 -1.58 0.00 0.00 42.46 37.92 1x39 s ILE 315 CO 0.03 0.38 1.41 -0.32 -1.23 0.00 0.00 174.94 175.20 1x39 s MET 316 N 1.42 3.52 0.09 2.79 -2.45 -1.26 -1.21 119.30 122.20 1x39 s MET 316 Ca 0.05 -1.00 -0.32 0.00 -1.25 0.00 0.00 55.69 53.18 1x39 s MET 316 Cb -0.15 -5.15 -0.15 0.00 1.25 0.00 0.00 34.83 30.63 1x39 s MET 316 CO 0.02 -2.18 1.62 0.28 1.05 0.00 0.00 175.02 175.80 1x39 h VAL 317 N 6.64 0.30 -0.01 10.11 2.07 -1.68 -2.83 116.25 130.85 1x39 h VAL 317 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1x39 h VAL 317 Cb 1.02 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1x39 h VAL 317 CO 1.39 0.00 -0.55 -0.81 0.02 0.00 0.00 177.57 177.62 1x39 n PRO 318 N -5.47 0.98 -0.09 1.57 -0.04 -1.26 -3.37 135.00 127.32 1x39 n PRO 318 Ca -0.11 -0.80 -0.17 0.00 -0.04 0.00 0.00 63.50 62.37 1x39 n PRO 318 Cb 0.36 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 1x39 n PRO 318 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x39 n ASN 319 N -0.31 1.60 -3.55 3.54 5.03 -1.26 -0.78 115.26 119.53 1x39 n ASN 319 Ca 0.09 0.15 -0.40 0.00 0.87 0.00 0.00 54.58 55.28 1x39 n ASN 319 Cb 0.44 -0.46 -0.00 0.00 -1.02 0.00 0.00 39.78 38.73 1x39 n ASN 319 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1x39 n LYS 320 N -3.61 4.47 0.04 3.52 4.01 -1.26 -4.71 118.16 120.62 1x39 n LYS 320 Ca -0.34 -3.51 -0.02 0.00 -0.51 0.00 0.00 58.31 53.93 1x39 n LYS 320 Cb 0.77 -2.67 0.23 0.00 -0.51 0.00 0.00 35.03 32.85 1x39 n LYS 320 CO 0.00 0.00 0.00 0.10 -1.11 0.00 0.00 177.40 176.39 1x39 h TYR 321 N 4.78 0.45 -0.39 2.13 -0.00 -1.96 -2.19 116.97 119.79 1x39 h TYR 321 Ca 0.65 -0.09 -0.04 0.00 0.00 0.00 0.00 58.73 59.25 1x39 h TYR 321 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 36.73 36.96 1x39 h TYR 321 CO 1.54 0.63 0.11 0.37 -0.00 0.00 0.00 178.16 180.81 1x39 h GLN 322 N 0.36 0.62 -0.23 0.10 4.15 -1.99 0.41 115.11 118.52 1x39 h GLN 322 Ca 0.05 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1x39 h GLN 322 Cb 0.64 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1x39 h GLN 322 CO 0.05 0.64 0.11 0.37 -1.93 0.00 0.00 178.83 178.06 1x39 h GLN 323 N 0.49 0.34 -0.02 1.69 4.15 -1.94 -0.30 115.11 119.51 1x39 h GLN 323 Ca 0.13 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.52 1x39 h GLN 323 Cb 0.29 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1x39 h GLN 323 CO -0.00 0.36 -0.16 0.35 -1.93 0.00 0.00 178.83 177.44 1x39 h PHE 324 N 0.24 -0.42 -0.74 3.99 3.57 -1.12 -0.03 116.94 122.43 1x39 h PHE 324 Ca 0.08 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1x39 h PHE 324 Cb 0.14 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1x39 h PHE 324 CO -0.02 -0.24 0.29 0.82 -2.23 0.00 0.00 178.31 176.93 1x39 h ILE 325 N -0.26 1.25 -0.29 1.41 2.04 -0.86 -1.11 117.51 119.69 1x39 h ILE 325 Ca 0.06 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1x39 h ILE 325 Cb 0.34 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1x39 h ILE 325 CO -0.17 0.33 0.08 -1.28 0.00 0.00 0.00 178.15 177.10 1x39 h SER 326 N 1.07 0.44 -0.11 1.72 0.87 -0.71 -0.60 113.55 116.25 1x39 h SER 326 Ca 0.25 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1x39 h SER 326 Cb 0.22 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1x39 h SER 326 CO -0.02 0.55 0.02 0.40 -0.53 0.00 0.00 176.83 177.25 1x39 h ILE 327 N 0.31 1.21 -0.47 2.23 1.08 -0.83 -1.27 117.51 119.77 1x39 h ILE 327 Ca 0.09 -0.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.91 1x39 h ILE 327 Cb 0.28 1.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 1x39 h ILE 327 CO -0.00 0.19 0.27 0.25 -0.69 0.00 0.00 178.15 178.16 1x39 h LEU 328 N -0.05 0.58 -0.67 1.44 5.85 -1.15 -1.15 115.31 120.16 1x39 h LEU 328 Ca 0.03 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1x39 h LEU 328 Cb 0.27 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1x39 h LEU 328 CO 0.00 0.49 0.37 0.74 -0.34 0.00 0.00 178.44 179.70 1x39 h THR 329 N 0.62 0.96 -0.57 1.05 2.02 -1.02 -1.81 112.91 114.15 1x39 h THR 329 Ca 0.17 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1x39 h THR 329 Cb 0.03 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1x39 h THR 329 CO -0.03 0.12 0.36 1.23 0.37 0.00 0.00 175.52 177.57 1x39 h GLY 330 N 0.68 0.82 1.12 2.16 0.00 -0.70 0.12 103.07 107.28 1x39 h GLY 330 Ca 0.30 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1x39 h GLY 330 CO -0.19 0.32 0.34 0.45 0.00 0.00 0.00 176.54 177.46 1x39 h HIS 331 N 0.77 1.13 -0.11 5.60 -0.00 -0.84 0.35 115.15 122.05 1x39 h HIS 331 Ca 0.21 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 1x39 h HIS 331 Cb -0.04 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.02 1x39 h HIS 331 CO -0.03 0.84 -0.09 0.28 -0.00 0.00 0.00 177.93 178.93 1x39 h VAL 332 N 1.10 1.35 -0.54 2.45 2.07 -1.06 0.60 116.25 122.22 1x39 h VAL 332 Ca 0.26 -1.22 0.08 0.00 0.82 0.00 0.00 66.70 66.64 1x39 h VAL 332 Cb 0.16 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1x39 h VAL 332 CO -0.03 0.35 0.36 0.78 0.02 0.00 0.00 177.57 179.06 1x39 h ASN 333 N -0.14 0.35 0.23 0.57 2.35 -0.58 -2.01 115.58 116.35 1x39 h ASN 333 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1x39 h ASN 333 Cb 0.60 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1x39 h ASN 333 CO 0.02 0.22 -0.17 0.61 -1.65 0.00 0.00 177.43 176.46 1x39 n GLY 334 N -1.52 -0.62 2.01 2.83 0.00 0.10 -4.94 105.19 103.05 1x39 n GLY 334 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1x39 n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x39 n GLY 335 N 1.29 0.74 0.15 -0.02 0.00 -0.76 -4.93 105.19 101.67 1x39 n GLY 335 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1x39 n GLY 335 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x39 h VAL 336 N 0.00 1.41 -3.27 1.61 2.07 -1.13 -3.41 116.25 113.54 1x39 h VAL 336 Ca 0.00 -2.51 -0.66 0.00 0.82 0.00 0.00 66.70 64.35 1x39 h VAL 336 Cb 0.00 2.47 -0.30 0.00 -1.52 0.00 0.00 31.29 31.93 1x39 h VAL 336 CO 0.00 0.75 -0.79 -0.63 0.02 0.00 0.00 177.57 176.92 1x39 s ILE 337 N -3.21 2.79 0.57 4.57 1.01 -1.01 -5.00 121.20 120.91 1x39 s ILE 337 Ca -0.05 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.72 1x39 s ILE 337 Cb 0.09 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 1x39 s ILE 337 CO 0.87 0.49 1.05 -2.16 0.00 0.00 0.00 174.94 175.19 1x39 s PRO 338 N 1.10 3.47 0.54 2.79 0.04 -1.26 -4.28 135.00 137.39 1x39 s PRO 338 Ca 0.00 1.21 0.21 0.00 0.04 0.00 0.00 61.00 62.46 1x39 s PRO 338 Cb -0.14 -2.05 1.41 0.00 0.04 0.00 0.00 34.50 33.76 1x39 s PRO 338 CO -0.04 -0.69 2.14 0.52 0.04 0.00 0.00 177.00 178.97 1x39 h MET 339 N 0.69 0.00 -0.48 4.56 2.86 -1.97 -1.90 114.93 118.69 1x39 h MET 339 Ca -0.47 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.18 1x39 h MET 339 Cb 1.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 1x39 h MET 339 CO 0.58 0.00 0.32 0.66 1.06 0.00 0.00 176.91 179.53 1x39 h SER 340 N 0.00 0.53 -0.15 1.22 4.64 -1.98 0.12 113.55 117.92 1x39 h SER 340 Ca 0.05 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 1x39 h SER 340 Cb 0.19 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1x39 h SER 340 CO -0.00 0.38 -0.30 -0.09 -0.87 0.00 0.00 176.83 175.95 1x39 h ARG 341 N 0.63 0.47 -0.51 4.77 9.65 -1.72 -1.05 114.38 126.61 1x39 h ARG 341 Ca 0.18 -0.30 -0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1x39 h ARG 341 Cb -0.03 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1x39 h ARG 341 CO -0.04 0.91 0.31 0.82 2.80 0.00 0.00 179.97 184.77 1x39 h ILE 342 N 0.09 1.16 -0.78 1.20 1.08 -1.43 -1.95 117.51 116.87 1x39 h ILE 342 Ca 0.00 -0.35 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1x39 h ILE 342 Cb 0.90 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 35.07 1x39 h ILE 342 CO 0.07 0.16 0.34 0.44 -0.69 0.00 0.00 178.15 178.47 1x39 h ASP 343 N 0.69 1.03 -0.19 1.72 3.32 -0.73 -1.03 116.42 121.24 1x39 h ASP 343 Ca 0.18 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1x39 h ASP 343 Cb -0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1x39 h ASP 343 CO -0.03 0.89 0.11 -0.78 -1.72 0.00 0.00 179.24 177.70 1x39 h ASP 344 N 1.11 0.23 -0.38 6.45 3.58 -1.03 0.17 116.42 126.55 1x39 h ASP 344 Ca 0.26 -0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.65 1x39 h ASP 344 Cb 0.16 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1x39 h ASP 344 CO -0.03 0.24 0.24 0.00 -2.88 0.00 0.00 179.24 176.81 1x39 h ALA 345 N 1.00 0.48 -0.34 -0.78 0.00 -1.02 -2.06 119.26 116.54 1x39 h ALA 345 Ca 0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1x39 h ALA 345 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1x39 h ALA 345 CO -0.01 -0.08 -0.42 0.28 0.00 0.00 0.00 179.25 179.02 1x39 h VAL 346 N 0.50 1.28 -0.67 0.00 2.07 -1.14 -1.94 116.25 116.34 1x39 h VAL 346 Ca 0.14 -1.60 0.10 0.00 0.82 0.00 0.00 66.70 66.17 1x39 h VAL 346 Cb -0.04 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 1x39 h VAL 346 CO -0.04 0.53 0.28 0.74 0.02 0.00 0.00 177.57 179.09 1x39 h THR 347 N 0.69 0.76 -0.14 2.57 2.02 -0.74 0.98 112.91 119.07 1x39 h THR 347 Ca 0.05 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1x39 h THR 347 Cb 1.00 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1x39 h THR 347 CO 0.10 0.09 -0.03 0.03 0.37 0.00 0.00 175.52 176.07 1x39 h ARG 348 N 0.47 0.26 -0.09 6.66 3.08 -1.15 0.91 114.38 124.52 1x39 h ARG 348 Ca 0.34 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.31 1x39 h ARG 348 Cb 0.43 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1x39 h ARG 348 CO -0.32 0.56 -0.01 0.82 -1.07 0.00 0.00 179.97 179.95 1x39 h ILE 349 N -0.05 0.93 -0.80 2.04 2.04 -1.06 -2.16 117.51 118.45 1x39 h ILE 349 Ca 0.03 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1x39 h ILE 349 Cb 0.46 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1x39 h ILE 349 CO 0.01 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 178.46 1x39 h LEU 350 N 0.02 1.07 -0.42 1.44 3.38 -0.78 -1.83 115.31 118.19 1x39 h LEU 350 Ca 0.04 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1x39 h LEU 350 Cb 0.05 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 1x39 h LEU 350 CO -0.08 0.92 0.08 -0.09 0.09 0.00 0.00 178.44 179.36 1x39 h ARG 351 N 1.14 0.21 -0.44 1.13 2.43 -0.58 0.23 114.38 118.50 1x39 h ARG 351 Ca 0.27 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 1x39 h ARG 351 Cb 0.15 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1x39 h ARG 351 CO -0.03 0.14 0.15 0.28 -1.51 0.00 0.00 179.97 178.99 1x39 h VAL 352 N 0.21 1.22 -0.14 0.20 2.07 -1.18 0.18 116.25 118.82 1x39 h VAL 352 Ca 0.21 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1x39 h VAL 352 Cb 0.26 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1x39 h VAL 352 CO -0.27 0.26 0.07 0.11 0.02 0.00 0.00 177.57 177.75 1x39 h LYS 353 N 0.58 0.20 -0.31 1.57 1.57 -0.68 -1.68 116.57 117.82 1x39 h LYS 353 Ca 0.14 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1x39 h LYS 353 Cb 0.25 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1x39 h LYS 353 CO -0.01 0.25 0.11 0.74 -0.57 0.00 0.00 179.45 179.98 1x39 h PHE 354 N 0.10 0.48 -0.78 -1.35 -1.00 -0.52 -1.93 116.94 111.94 1x39 h PHE 354 Ca 0.05 -0.04 0.07 0.00 2.81 0.00 0.00 57.97 60.85 1x39 h PHE 354 Cb 0.12 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 39.48 1x39 h PHE 354 CO -0.03 0.48 0.46 1.15 -1.61 0.00 0.00 178.31 178.76 1x39 h THR 355 N 0.35 0.99 0.00 -1.55 2.02 -0.81 -2.09 112.91 111.82 1x39 h THR 355 Ca 0.10 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1x39 h THR 355 Cb 0.21 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1x39 h THR 355 CO -0.01 0.15 0.00 1.15 0.37 0.00 0.00 175.52 177.18 1x39 n MET 356 N -4.71 0.45 -0.66 6.66 0.00 -0.64 -4.56 117.12 113.66 1x39 n MET 356 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.82 1x39 n MET 356 Cb 0.19 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.91 1x39 n MET 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x39 n GLY 357 N 1.19 0.64 0.34 3.17 0.00 -0.79 -4.21 105.19 105.54 1x39 n GLY 357 Ca 0.14 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1x39 n GLY 357 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x39 h LEU 358 N 0.00 0.69 -1.13 0.99 6.46 -1.56 0.55 115.31 121.30 1x39 h LEU 358 Ca 0.00 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 1x39 h LEU 358 Cb 0.00 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 1x39 h LEU 358 CO 0.00 0.47 -0.29 -0.26 -0.62 0.00 0.00 178.44 177.75 1x39 h PHE 359 N 0.80 0.00 0.02 1.25 -1.00 -1.88 -1.87 116.94 114.26 1x39 h PHE 359 Ca 0.27 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.76 1x39 h PHE 359 Cb 0.09 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 1x39 h PHE 359 CO -0.00 0.29 -1.62 0.93 -1.61 0.00 0.00 178.31 176.30 1x39 h GLU 360 N 0.00 0.05 -2.08 1.51 3.07 -1.41 -3.41 114.58 112.32 1x39 h GLU 360 Ca -0.00 -0.09 -0.56 0.00 -0.50 0.00 0.00 59.36 58.21 1x39 h GLU 360 Cb 0.76 0.03 -0.40 0.00 -0.84 0.00 0.00 28.75 28.30 1x39 h GLU 360 CO 0.04 0.70 -0.95 0.09 -1.40 0.00 0.00 179.01 177.49 1x39 n ASN 361 N -3.17 1.62 0.23 1.42 3.02 -0.00 -4.94 115.26 113.43 1x39 n ASN 361 Ca -0.16 -3.04 0.15 0.00 -0.03 0.00 0.00 54.58 51.50 1x39 n ASN 361 Cb 1.03 -0.64 0.55 0.00 -0.61 0.00 0.00 39.78 40.12 1x39 n ASN 361 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1x39 h PRO 362 N 3.76 0.00 -6.20 3.52 0.13 -1.58 -3.44 132.00 128.20 1x39 h PRO 362 Ca 0.11 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.74 1x39 h PRO 362 Cb 0.80 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.89 1x39 h PRO 362 CO 0.60 0.00 -0.51 0.71 -0.23 0.00 0.00 178.00 178.56 1x39 s TYR 363 N -3.48 3.03 0.69 1.56 1.51 -1.26 -4.97 117.35 114.43 1x39 s TYR 363 Ca 0.03 -0.17 -0.13 0.00 -1.01 0.00 0.00 57.07 55.80 1x39 s TYR 363 Cb 0.09 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.46 1x39 s TYR 363 CO 0.53 0.44 1.09 0.00 -1.11 0.00 0.00 175.55 176.50 1x39 s ALA 364 N -2.19 2.48 -0.39 3.71 0.00 -1.26 -5.03 121.76 119.08 1x39 s ALA 364 Ca 0.35 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 1x39 s ALA 364 Cb -0.07 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1x39 s ALA 364 CO 0.25 -1.35 0.23 0.34 0.00 0.00 0.00 175.76 175.23 1x39 s ASP 365 N -3.08 5.78 0.61 0.00 2.15 -1.26 -4.96 116.67 115.90 1x39 s ASP 365 Ca 0.63 -1.10 0.32 0.00 0.43 0.00 0.00 52.55 52.84 1x39 s ASP 365 Cb -0.18 -2.04 1.93 0.00 -0.30 0.00 0.00 42.92 42.33 1x39 s ASP 365 CO 0.48 -0.43 2.27 1.55 -0.17 0.00 0.00 175.17 178.86 1x39 h PRO 366 N 8.47 0.00 0.00 4.34 0.13 -1.96 -0.01 132.00 142.97 1x39 h PRO 366 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1x39 h PRO 366 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1x39 h PRO 366 CO 0.70 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 1x39 h ALA 367 N 1.97 1.00 0.00 -0.56 0.00 -1.98 -2.64 119.26 117.05 1x39 h ALA 367 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x39 h ALA 367 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1x39 h ALA 367 CO -0.00 0.00 -0.36 -1.33 0.00 0.00 0.00 179.25 177.56 1x39 n MET 368 N -2.77 0.24 -0.32 0.00 2.81 -0.02 -4.13 117.12 112.93 1x39 n MET 368 Ca 0.00 0.12 0.14 0.00 -1.81 0.00 0.00 57.70 56.15 1x39 n MET 368 Cb 0.22 -1.70 0.37 0.00 -0.71 0.00 0.00 33.22 31.40 1x39 n MET 368 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x39 h ALA 369 N 2.58 1.81 0.00 3.04 0.00 -1.58 -0.29 119.26 124.83 1x39 h ALA 369 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x39 h ALA 369 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1x39 h ALA 369 CO 0.00 -0.14 0.00 -0.85 0.00 0.00 0.00 179.25 178.26 1x39 n GLU 370 N -4.66 0.03 0.22 0.00 0.28 -1.26 -2.43 120.64 112.82 1x39 n GLU 370 Ca 0.21 0.30 0.10 0.00 -0.16 0.00 0.00 57.16 57.61 1x39 n GLU 370 Cb 0.58 -1.50 0.49 0.00 1.43 0.00 0.00 31.44 32.44 1x39 n GLU 370 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1x39 h GLN 371 N 0.00 0.00 -6.48 3.44 1.08 -1.33 -3.42 115.11 108.40 1x39 h GLN 371 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 1x39 h GLN 371 Cb 0.16 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1x39 h GLN 371 CO 0.00 0.23 1.05 -1.17 -0.95 0.00 0.00 178.83 177.99 1x39 s LEU 372 N -6.92 4.38 -1.76 1.46 2.96 -1.02 -2.52 118.68 115.25 1x39 s LEU 372 Ca -0.00 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 1x39 s LEU 372 Cb 0.11 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1x39 s LEU 372 CO 0.63 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 1x39 n GLY 373 N 4.10 1.31 3.75 7.98 0.00 -1.20 -4.92 105.19 116.20 1x39 n GLY 373 Ca 0.17 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1x39 n GLY 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x39 n LYS 374 N -2.53 2.43 -0.22 1.61 5.02 -1.05 -4.77 118.16 118.65 1x39 n LYS 374 Ca -0.18 0.85 0.07 0.00 -2.02 0.00 0.00 58.31 57.04 1x39 n LYS 374 Cb 0.59 -2.55 0.34 0.00 -0.02 0.00 0.00 35.03 33.39 1x39 n LYS 374 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1x39 h GLN 375 N 2.72 0.77 -0.96 1.97 5.75 -1.92 -0.02 115.11 123.41 1x39 h GLN 375 Ca -0.49 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.00 1x39 h GLN 375 Cb 1.26 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.58 1x39 h GLN 375 CO 0.63 0.51 0.63 0.93 -2.65 0.00 0.00 178.83 178.87 1x39 h GLU 376 N 0.79 1.17 -0.25 1.69 3.07 -1.99 0.17 114.58 119.24 1x39 h GLU 376 Ca 0.35 -0.07 -0.18 0.00 -0.50 0.00 0.00 59.36 58.96 1x39 h GLU 376 Cb 0.33 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1x39 h GLU 376 CO -0.13 0.78 -0.57 0.45 -1.40 0.00 0.00 179.01 178.14 1x39 h HIS 377 N 1.21 0.97 -0.61 4.33 3.86 -1.39 -2.21 115.15 121.32 1x39 h HIS 377 Ca 0.38 -0.35 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1x39 h HIS 377 Cb 0.01 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 1x39 h HIS 377 CO -0.00 1.15 0.16 0.00 0.86 0.00 0.00 177.93 180.10 1x39 h ARG 378 N 0.58 0.93 -0.81 2.45 3.08 -0.76 -0.57 114.38 119.29 1x39 h ARG 378 Ca 0.01 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1x39 h ARG 378 Cb 1.16 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.03 1x39 h ARG 378 CO 0.12 0.82 0.42 -0.44 -1.07 0.00 0.00 179.97 179.82 1x39 h ASP 379 N 0.90 1.04 -0.34 7.04 3.32 -0.51 0.92 116.42 128.79 1x39 h ASP 379 Ca 0.20 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1x39 h ASP 379 Cb 0.30 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1x39 h ASP 379 CO -0.00 0.86 0.11 0.25 -1.72 0.00 0.00 179.24 178.73 1x39 h LEU 380 N 1.15 0.50 -1.12 1.55 5.85 -1.00 -1.58 115.31 120.66 1x39 h LEU 380 Ca 0.28 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1x39 h LEU 380 Cb 0.07 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1x39 h LEU 380 CO -0.04 0.57 0.37 0.00 -0.34 0.00 0.00 178.44 179.00 1x39 h ALA 381 N 0.95 1.33 -0.40 1.25 0.00 -0.72 -0.58 119.26 121.09 1x39 h ALA 381 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1x39 h ALA 381 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1x39 h ALA 381 CO -0.00 0.54 0.11 -0.09 0.00 0.00 0.00 179.25 179.81 1x39 h ARG 382 N 0.98 0.63 -0.25 0.00 2.43 -0.62 0.26 114.38 117.82 1x39 h ARG 382 Ca 0.25 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1x39 h ARG 382 Cb 0.05 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1x39 h ARG 382 CO -0.04 0.65 0.07 1.49 -1.51 0.00 0.00 179.97 180.63 1x39 h GLU 383 N 0.50 0.17 -0.43 0.20 4.81 -0.98 -2.03 114.58 116.82 1x39 h GLU 383 Ca 0.13 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1x39 h GLU 383 Cb 0.29 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1x39 h GLU 383 CO -0.00 0.11 0.18 0.00 -0.73 0.00 0.00 179.01 178.57 1x39 h ALA 384 N 1.17 0.56 -0.32 2.92 0.00 -0.83 -1.23 119.26 121.53 1x39 h ALA 384 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1x39 h ALA 384 Cb 0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1x39 h ALA 384 CO -0.13 0.16 0.13 0.00 0.00 0.00 0.00 179.25 179.41 1x39 h ALA 385 N 1.02 0.38 -0.51 0.00 0.00 -0.85 -0.43 119.26 118.88 1x39 h ALA 385 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1x39 h ALA 385 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1x39 h ALA 385 CO -0.01 -0.25 0.32 -0.09 0.00 0.00 0.00 179.25 179.21 1x39 h ARG 386 N 0.29 0.67 0.00 0.00 1.12 -1.21 -2.55 114.38 112.70 1x39 h ARG 386 Ca 0.14 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.93 1x39 h ARG 386 Cb 0.08 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 29.89 1x39 h ARG 386 CO -0.12 0.47 -0.13 0.87 -3.11 0.00 0.00 179.97 177.95 1x39 h LYS 387 N 0.68 0.00 0.00 0.20 1.57 -0.88 -2.86 116.57 115.28 1x39 h LYS 387 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1x39 h LYS 387 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1x39 h LYS 387 CO -0.04 0.13 0.00 0.66 -0.57 0.00 0.00 179.45 179.63 1x39 h SER 388 N 0.00 0.00 -3.25 0.86 4.64 -0.65 -3.25 113.55 111.90 1x39 h SER 388 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1x39 h SER 388 Cb 0.54 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1x39 h SER 388 CO 0.02 0.00 0.69 -0.76 -0.87 0.00 0.00 176.83 175.91 1x39 s LEU 389 N -5.75 4.40 -0.24 5.97 1.43 -1.08 -4.75 118.68 118.66 1x39 s LEU 389 Ca 0.08 2.41 -0.03 0.00 -1.03 0.00 0.00 54.13 55.55 1x39 s LEU 389 Cb 0.07 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1x39 s LEU 389 CO 0.64 -0.59 -0.04 -0.69 0.23 0.00 0.00 176.35 175.90 1x39 s VAL 390 N 0.43 3.26 -0.35 -1.59 1.01 0.04 -2.84 120.40 120.35 1x39 s VAL 390 Ca 0.60 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 1x39 s VAL 390 Cb -0.37 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1x39 s VAL 390 CO 0.36 0.32 1.09 -0.22 0.00 0.00 0.00 175.10 176.65 1x39 s LEU 391 N 1.43 3.87 -0.05 3.92 2.96 -1.26 -0.63 118.68 128.92 1x39 s LEU 391 Ca 0.04 0.93 0.18 0.00 -0.22 0.00 0.00 54.13 55.05 1x39 s LEU 391 Cb -0.15 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.78 1x39 s LEU 391 CO -0.03 -0.96 0.52 0.18 -1.32 0.00 0.00 176.35 174.73 1x39 n LEU 392 N 7.08 0.45 -3.68 -0.68 4.77 -0.20 -1.05 117.00 123.69 1x39 n LEU 392 Ca 0.12 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 1x39 n LEU 392 Cb 0.47 0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 1x39 n LEU 392 CO 0.62 0.26 0.24 -0.75 -1.33 0.00 0.00 177.39 176.42 1x39 s LYS 393 N -2.85 0.64 -0.43 3.23 2.20 -1.16 -4.90 119.74 116.47 1x39 s LYS 393 Ca -0.06 0.81 0.05 0.00 -0.36 0.00 0.00 55.97 56.41 1x39 s LYS 393 Cb 0.09 0.28 0.18 0.00 -1.51 0.00 0.00 37.83 36.87 1x39 s LYS 393 CO 0.83 -0.09 0.44 -1.71 -0.36 0.00 0.00 175.35 174.46 1x39 n ASN 394 N 3.00 -0.95 0.00 1.43 5.15 -1.26 -1.50 115.26 121.14 1x39 n ASN 394 Ca -0.15 -2.52 0.00 0.00 -0.60 0.00 0.00 54.58 51.31 1x39 n ASN 394 Cb 0.56 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.68 1x39 n ASN 394 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x39 n GLY 395 N 2.65 3.72 0.24 8.20 0.00 0.14 -4.24 105.19 115.89 1x39 n GLY 395 Ca 0.26 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 1x39 n GLY 395 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x39 h LYS 396 N 0.00 0.54 -5.39 1.61 3.64 -1.75 -3.43 116.57 111.79 1x39 h LYS 396 Ca 0.00 -0.03 -0.66 0.00 -1.27 0.00 0.00 60.65 58.69 1x39 h LYS 396 Cb 0.00 -0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 31.57 1x39 h LYS 396 CO 0.00 0.36 -0.55 0.95 -2.27 0.00 0.00 179.45 177.94 1x39 s THR 397 N -6.09 1.51 -0.17 1.00 -4.23 -1.26 -5.00 115.64 101.39 1x39 s THR 397 Ca -0.13 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.68 1x39 s THR 397 Cb 0.16 -2.51 0.33 0.00 1.34 0.00 0.00 72.50 71.83 1x39 s THR 397 CO 0.75 0.00 1.86 0.77 -0.54 0.00 0.00 174.62 177.46 1x39 h SER 398 N 1.52 0.00 -0.01 3.99 4.64 -1.97 -2.75 113.55 118.97 1x39 h SER 398 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1x39 h SER 398 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1x39 h SER 398 CO 0.77 0.00 -0.45 0.35 -0.87 0.00 0.00 176.83 176.63 1x39 n THR 399 N -2.71 0.00 -1.64 2.95 -2.24 -1.26 -4.99 114.28 104.38 1x39 n THR 399 Ca 0.01 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 1x39 n THR 399 Cb 0.28 1.21 0.06 0.00 -2.10 0.00 0.00 70.33 69.78 1x39 n THR 399 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x39 s ASP 400 N -2.26 5.01 0.38 3.42 1.11 -1.04 -4.99 116.67 118.30 1x39 s ASP 400 Ca 0.15 1.93 -0.27 0.00 0.18 0.00 0.00 52.55 54.54 1x39 s ASP 400 Cb 0.16 -2.54 -0.11 0.00 1.07 0.00 0.00 42.92 41.50 1x39 s ASP 400 CO 0.52 -1.69 1.42 0.00 1.18 0.00 0.00 175.17 176.60 1x39 n ALA 401 N -2.70 2.01 -1.94 5.23 0.00 -1.26 -4.92 120.51 116.92 1x39 n ALA 401 Ca 0.10 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1x39 n ALA 401 Cb 0.52 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 1x39 n ALA 401 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x39 s PRO 402 N -2.10 4.22 0.04 0.00 0.04 -1.26 -4.49 135.00 131.44 1x39 s PRO 402 Ca 0.55 2.34 -0.19 0.00 0.04 0.00 0.00 61.00 63.74 1x39 s PRO 402 Cb -0.50 -3.26 -0.15 0.00 0.04 0.00 0.00 34.50 30.63 1x39 s PRO 402 CO 0.62 -0.63 1.29 1.25 0.04 0.00 0.00 177.00 179.58 1x39 h LEU 403 N 7.19 0.49 -9.64 -3.56 5.85 -1.90 -3.45 115.31 110.30 1x39 h LEU 403 Ca -0.43 -0.55 -0.66 0.00 0.84 0.00 0.00 57.88 57.08 1x39 h LEU 403 Cb 1.20 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 1x39 h LEU 403 CO 0.92 0.96 -0.45 -0.76 -0.34 0.00 0.00 178.44 178.76 1x39 s LEU 404 N -8.87 4.40 0.46 2.25 1.43 -1.26 -3.54 118.68 113.54 1x39 s LEU 404 Ca -0.14 0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 53.27 1x39 s LEU 404 Cb 0.05 -2.12 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 1x39 s LEU 404 CO 0.79 0.40 1.05 -2.16 0.23 0.00 0.00 176.35 176.65 1x39 s PRO 405 N -1.02 3.90 0.40 1.29 0.04 -1.26 -4.99 135.00 133.36 1x39 s PRO 405 Ca 0.16 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1x39 s PRO 405 Cb -0.12 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 1x39 s PRO 405 CO 0.05 -0.36 0.84 -0.51 0.04 0.00 0.00 177.00 177.06 1x39 s LEU 406 N -3.22 3.90 0.21 -3.56 1.43 0.07 -4.94 118.68 112.58 1x39 s LEU 406 Ca 0.64 1.40 -0.30 0.00 -1.03 0.00 0.00 54.13 54.85 1x39 s LEU 406 Cb -0.19 -4.26 -0.08 0.00 0.03 0.00 0.00 46.19 41.69 1x39 s LEU 406 CO 0.23 -0.35 1.02 -2.16 0.23 0.00 0.00 176.35 175.32 1x39 s PRO 407 N -3.41 4.71 0.46 1.29 0.04 -1.26 -4.52 135.00 132.32 1x39 s PRO 407 Ca 0.56 1.62 0.26 0.00 0.04 0.00 0.00 61.00 63.49 1x39 s PRO 407 Cb -0.10 -3.27 0.80 0.00 0.04 0.00 0.00 34.50 31.97 1x39 s PRO 407 CO 0.22 0.28 1.77 0.87 0.04 0.00 0.00 177.00 180.18 1x39 h LYS 408 N 4.56 0.00 -4.94 4.56 1.57 -1.93 -3.42 116.57 116.97 1x39 h LYS 408 Ca -0.45 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.67 1x39 h LYS 408 Cb 1.21 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.26 1x39 h LYS 408 CO 0.70 0.10 -0.67 0.21 -0.57 0.00 0.00 179.45 179.22 1x39 s LYS 409 N -3.44 3.39 -0.01 3.15 2.20 -1.26 -1.15 119.74 122.62 1x39 s LYS 409 Ca 0.03 -0.64 -0.27 0.00 -0.36 0.00 0.00 55.97 54.74 1x39 s LYS 409 Cb 0.08 -3.19 0.06 0.00 -1.51 0.00 0.00 37.83 33.26 1x39 s LYS 409 CO 0.63 -0.25 0.60 0.00 -0.36 0.00 0.00 175.35 175.96 1x39 s ALA 410 N 1.52 -1.55 0.18 3.13 0.00 -1.26 -5.06 121.76 118.73 1x39 s ALA 410 Ca 0.05 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 52.88 1x39 s ALA 410 Cb -0.15 0.15 0.15 0.00 0.00 0.00 0.00 23.12 23.26 1x39 s ALA 410 CO 0.00 -0.41 1.80 -1.35 0.00 0.00 0.00 175.76 175.80 1x39 h PRO 411 N 3.00 0.54 -2.38 0.00 0.11 -1.94 -3.35 132.00 127.97 1x39 h PRO 411 Ca -0.29 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 1x39 h PRO 411 Cb 1.17 -0.12 -0.23 0.00 0.11 0.00 0.00 31.00 31.93 1x39 h PRO 411 CO 0.39 0.36 -0.10 0.21 -0.21 0.00 0.00 178.00 178.65 1x39 s LYS 412 N -6.13 0.60 0.11 1.05 2.20 -1.26 -2.06 119.74 114.26 1x39 s LYS 412 Ca -0.13 0.85 0.04 0.00 -0.36 0.00 0.00 55.97 56.37 1x39 s LYS 412 Cb 0.14 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 1x39 s LYS 412 CO 0.74 -0.11 -0.09 0.96 -0.36 0.00 0.00 175.35 176.49 1x39 s ILE 413 N 0.75 0.97 -0.12 5.43 -4.36 0.40 -0.58 121.20 123.68 1x39 s ILE 413 Ca -0.04 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 1x39 s ILE 413 Cb -0.05 -1.57 -0.02 0.00 1.25 0.00 0.00 42.46 42.07 1x39 s ILE 413 CO -0.05 -0.67 -0.13 -0.22 0.24 0.00 0.00 174.94 174.11 1x39 s LEU 414 N -2.78 2.76 -0.15 0.37 2.96 -0.72 -1.18 118.68 119.94 1x39 s LEU 414 Ca 0.10 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1x39 s LEU 414 Cb 0.00 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1x39 s LEU 414 CO -0.01 0.19 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.44 1x39 s VAL 415 N 0.18 3.31 0.14 1.68 1.01 0.39 -0.51 120.40 126.61 1x39 s VAL 415 Ca -0.07 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1x39 s VAL 415 Cb -0.15 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1x39 s VAL 415 CO 0.05 0.50 0.11 0.00 0.00 0.00 0.00 175.10 175.76 1x39 s ALA 416 N 0.59 0.69 0.00 5.51 0.00 0.16 -1.80 121.76 126.91 1x39 s ALA 416 Ca -0.06 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1x39 s ALA 416 Cb -0.15 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1x39 s ALA 416 CO 0.03 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1x39 n GLY 417 N -0.13 2.69 0.33 0.00 0.00 -0.37 -0.88 105.19 106.83 1x39 n GLY 417 Ca -0.05 -1.81 0.22 0.00 0.00 0.00 0.00 46.02 44.37 1x39 n GLY 417 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x39 h SER 418 N 0.00 0.00 -0.14 1.61 4.64 -1.62 -2.80 113.55 115.24 1x39 h SER 418 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x39 h SER 418 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1x39 h SER 418 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1x39 n HIS 419 N -3.20 0.17 0.12 4.77 8.25 -0.39 -4.57 115.22 120.38 1x39 n HIS 419 Ca -0.03 -0.15 -0.02 0.00 -0.26 0.00 0.00 57.72 57.26 1x39 n HIS 419 Cb 0.08 -0.01 0.11 0.00 1.12 0.00 0.00 29.99 31.29 1x39 n HIS 419 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x39 h ALA 420 N 2.56 0.83 -1.69 -1.41 0.00 -1.55 -3.37 119.26 114.64 1x39 h ALA 420 Ca 0.00 -0.64 -0.46 0.00 0.00 0.00 0.00 54.91 53.81 1x39 h ALA 420 Cb 0.62 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 17.90 1x39 h ALA 420 CO 0.00 0.88 -1.13 -3.47 0.00 0.00 0.00 179.25 175.53 1x39 n ASP 421 N -3.69 1.52 -3.40 0.00 2.03 -1.26 -0.09 116.55 111.66 1x39 n ASP 421 Ca -0.01 -3.01 -0.19 0.00 0.52 0.00 0.00 54.79 52.10 1x39 n ASP 421 Cb 0.69 -0.58 -0.10 0.00 -0.72 0.00 0.00 41.12 40.41 1x39 n ASP 421 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1x39 s ASN 422 N -2.79 1.77 0.19 1.67 3.84 -1.26 -4.94 114.94 113.42 1x39 s ASN 422 Ca 0.37 -1.29 -0.12 0.00 0.21 0.00 0.00 52.86 52.03 1x39 s ASN 422 Cb 0.38 0.36 0.12 0.00 -0.55 0.00 0.00 41.25 41.56 1x39 s ASN 422 CO -0.05 -0.33 1.85 0.25 -2.79 0.00 0.00 177.10 176.02 1x39 h LEU 423 N 7.65 0.78 -0.67 3.21 5.85 -1.92 -2.26 115.31 127.96 1x39 h LEU 423 Ca -0.04 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1x39 h LEU 423 Cb 1.05 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1x39 h LEU 423 CO 0.28 0.59 0.35 1.23 -0.34 0.00 0.00 178.44 180.55 1x39 h GLY 424 N 0.91 0.98 1.07 3.75 0.00 -1.19 -1.92 103.07 106.67 1x39 h GLY 424 Ca 0.24 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1x39 h GLY 424 CO -0.05 0.12 0.32 -0.97 0.00 0.00 0.00 176.54 175.96 1x39 h TYR 425 N 0.64 1.20 0.00 5.60 0.99 -1.55 -1.56 116.97 122.28 1x39 h TYR 425 Ca 0.31 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.95 1x39 h TYR 425 Cb 0.25 -0.36 0.00 0.00 1.00 0.00 0.00 36.73 37.62 1x39 h TYR 425 CO -0.09 0.90 0.00 -0.56 -0.00 0.00 0.00 178.16 178.41 1x39 h GLN 426 N 1.15 0.00 0.06 4.88 3.07 -0.86 -3.12 115.11 120.29 1x39 h GLN 426 Ca 0.27 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.70 1x39 h GLN 426 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.74 1x39 h GLN 426 CO -0.02 0.00 -1.64 0.00 0.09 0.00 0.00 178.83 177.25 1x39 n GLY 428 N 1.65 -0.66 3.60 0.00 0.00 -0.62 -4.71 105.19 104.45 1x39 n GLY 428 Ca -0.18 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 1x39 n GLY 428 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x39 s GLY 429 N -1.52 1.55 -1.34 -0.02 0.00 -1.24 -3.91 107.32 100.83 1x39 s GLY 429 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.38 1x39 s GLY 429 CO 0.00 0.34 0.67 0.79 0.00 0.00 0.00 173.10 174.90 1x39 n TRP 430 N -4.52 -1.89 -3.56 1.90 7.02 -0.38 -4.72 117.44 111.29 1x39 n TRP 430 Ca 0.04 0.83 -0.24 0.00 -1.02 0.00 0.00 57.50 57.11 1x39 n TRP 430 Cb 0.56 -4.25 -0.15 0.00 -2.42 0.00 0.00 31.31 25.05 1x39 n TRP 430 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1x39 s THR 431 N -3.70 -0.15 0.00 -0.99 2.01 -1.25 -4.71 115.64 106.85 1x39 s THR 431 Ca 0.05 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.77 1x39 s THR 431 Cb -0.03 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1x39 s THR 431 CO 0.83 -0.35 0.00 -0.38 -0.69 0.00 0.00 174.62 174.02 1x39 n ILE 432 N 5.28 0.00 -4.14 1.82 2.08 0.71 -4.22 119.36 120.91 1x39 n ILE 432 Ca -0.06 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.02 1x39 n ILE 432 Cb 0.48 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.32 1x39 n ILE 432 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1x39 s GLU 433 N 0.00 2.85 0.16 0.38 0.41 -1.26 -3.72 118.70 117.52 1x39 s GLU 433 Ca 0.00 -1.09 -0.19 0.00 -0.41 0.00 0.00 54.97 53.28 1x39 s GLU 433 Cb 0.00 -2.52 0.07 0.00 -1.78 0.00 0.00 34.13 29.90 1x39 s GLU 433 CO 0.00 0.40 1.65 2.35 -0.49 0.00 0.00 175.26 179.17 1x39 h TRP 434 N 1.60 -0.40 -0.21 1.61 7.01 -1.87 -1.88 115.95 121.81 1x39 h TRP 434 Ca -0.48 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.56 1x39 h TRP 434 Cb 1.24 0.23 0.00 0.00 -2.10 0.00 0.00 29.16 28.53 1x39 h TRP 434 CO 0.57 -0.24 0.00 1.04 -2.79 0.00 0.00 178.44 177.02 1x39 n GLN 435 N -5.34 1.57 0.00 2.65 1.13 -1.26 -1.25 117.38 114.87 1x39 n GLN 435 Ca 0.01 -0.87 0.00 0.00 -1.94 0.00 0.00 57.00 54.20 1x39 n GLN 435 Cb 0.25 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.34 1x39 n GLN 435 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x39 n GLY 436 N 0.96 -1.27 3.85 1.08 0.00 -0.71 -3.36 105.19 105.74 1x39 n GLY 436 Ca 0.11 -1.19 -0.03 0.00 0.00 0.00 0.00 46.02 44.91 1x39 n GLY 436 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x39 s ASP 437 N -4.00 -0.03 0.01 1.61 2.15 -1.26 -4.60 116.67 110.55 1x39 s ASP 437 Ca 0.00 -0.62 0.02 0.00 0.43 0.00 0.00 52.55 52.39 1x39 s ASP 437 Cb 0.00 0.49 -0.04 0.00 -0.30 0.00 0.00 42.92 43.07 1x39 s ASP 437 CO 0.00 -0.96 -0.03 0.28 -0.17 0.00 0.00 175.17 174.29 1x39 s THR 438 N -2.37 3.95 0.00 1.71 -1.32 -1.26 -3.73 115.64 112.62 1x39 s THR 438 Ca 0.20 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 1x39 s THR 438 Cb -0.02 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 1x39 s THR 438 CO 0.05 0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 1x39 n GLY 439 N 1.37 -1.25 3.47 6.08 0.00 -1.26 -4.68 105.19 108.92 1x39 n GLY 439 Ca -0.15 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 1x39 n GLY 439 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x39 s ARG 440 N 0.00 3.91 0.08 1.61 3.52 -1.26 -0.87 118.95 125.95 1x39 s ARG 440 Ca 0.00 -2.23 0.23 0.00 -0.13 0.00 0.00 55.73 53.60 1x39 s ARG 440 Cb 0.00 -5.07 0.06 0.00 -1.56 0.00 0.00 34.95 28.38 1x39 s ARG 440 CO 0.00 -1.83 1.04 0.25 -0.81 0.00 0.00 175.30 173.95 1x39 n THR 441 N 5.12 0.26 -3.20 4.11 -2.24 -1.26 -4.98 114.28 112.08 1x39 n THR 441 Ca 0.34 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1x39 n THR 441 Cb 0.45 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1x39 n THR 441 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1x39 n THR 442 N -2.13 0.00 -2.95 4.28 5.66 -1.26 -4.92 114.28 112.96 1x39 n THR 442 Ca 0.01 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.61 1x39 n THR 442 Cb 0.47 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.20 1x39 n THR 442 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1x39 s VAL 443 N -2.75 4.97 -0.01 1.08 1.01 -1.26 -4.96 120.40 118.48 1x39 s VAL 443 Ca 0.00 1.57 -0.05 0.00 0.00 0.00 0.00 61.98 63.50 1x39 s VAL 443 Cb 0.00 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1x39 s VAL 443 CO 0.00 0.16 0.25 0.61 0.00 0.00 0.00 175.10 176.12 1x39 n GLY 444 N 3.22 0.48 2.91 4.51 0.00 -1.26 -4.87 105.19 110.18 1x39 n GLY 444 Ca 0.02 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1x39 n GLY 444 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x39 s THR 445 N -2.08 1.05 0.89 2.61 2.01 0.30 -5.02 115.64 115.39 1x39 s THR 445 Ca 0.06 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 1x39 s THR 445 Cb -0.00 -1.07 0.13 0.00 0.01 0.00 0.00 72.50 71.57 1x39 s THR 445 CO -0.00 0.36 1.20 0.42 -0.69 0.00 0.00 174.62 175.91 1x39 s THR 446 N 1.70 1.98 0.17 -0.82 -4.23 -1.26 -1.01 115.64 112.16 1x39 s THR 446 Ca 0.05 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.41 1x39 s THR 446 Cb -0.13 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 70.86 1x39 s THR 446 CO -0.08 0.00 1.82 0.40 -0.54 0.00 0.00 174.62 176.21 1x39 h ILE 447 N -1.39 1.15 -0.27 2.99 2.04 -1.78 -0.13 117.51 120.11 1x39 h ILE 447 Ca -0.47 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.13 1x39 h ILE 447 Cb 1.31 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1x39 h ILE 447 CO 0.57 0.14 0.04 0.25 0.00 0.00 0.00 178.15 179.15 1x39 h LEU 448 N 0.69 -0.01 -1.15 1.44 5.85 -0.86 0.60 115.31 121.87 1x39 h LEU 448 Ca 0.19 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1x39 h LEU 448 Cb -0.04 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1x39 h LEU 448 CO -0.04 0.03 0.39 -0.33 -0.34 0.00 0.00 178.44 178.15 1x39 h GLU 449 N 0.14 0.97 -0.42 1.25 5.08 -1.74 -1.39 114.58 118.47 1x39 h GLU 449 Ca 0.13 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1x39 h GLU 449 Cb 0.14 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1x39 h GLU 449 CO -0.18 0.71 -0.10 0.00 -1.00 0.00 0.00 179.01 178.44 1x39 h ALA 450 N 1.45 0.58 -0.21 3.43 0.00 -0.36 -1.47 119.26 122.68 1x39 h ALA 450 Ca 0.25 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1x39 h ALA 450 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1x39 h ALA 450 CO -0.04 0.46 0.11 0.28 0.00 0.00 0.00 179.25 180.06 1x39 h VAL 451 N 0.64 1.01 -0.44 0.00 2.07 -0.53 -1.46 116.25 117.54 1x39 h VAL 451 Ca 0.11 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1x39 h VAL 451 Cb 0.64 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1x39 h VAL 451 CO 0.04 0.04 0.22 0.11 0.02 0.00 0.00 177.57 178.01 1x39 h LYS 452 N 0.23 0.60 0.00 1.57 1.57 -1.12 -1.16 116.57 118.27 1x39 h LYS 452 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1x39 h LYS 452 Cb 0.01 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1x39 h LYS 452 CO -0.05 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.29 1x39 h ALA 453 N 1.64 1.00 0.01 3.86 0.00 -0.84 -3.34 119.26 121.59 1x39 h ALA 453 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.68 1x39 h ALA 453 Cb 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1x39 h ALA 453 CO -0.02 0.00 -2.39 0.00 0.00 0.00 0.00 179.25 176.83 1x39 n ALA 454 N -1.94 1.39 -1.69 0.00 0.00 -0.51 -5.02 120.51 112.75 1x39 n ALA 454 Ca 0.03 -1.08 -0.32 0.00 0.00 0.00 0.00 53.44 52.07 1x39 n ALA 454 Cb 0.38 -0.20 0.01 0.00 0.00 0.00 0.00 19.45 19.65 1x39 n ALA 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1x39 s VAL 455 N -2.52 3.99 0.50 0.00 -7.23 -0.80 -4.97 120.40 109.37 1x39 s VAL 455 Ca -0.29 0.89 -0.21 0.00 -1.81 0.00 0.00 61.98 60.56 1x39 s VAL 455 Cb 0.08 -3.46 -0.09 0.00 0.56 0.00 0.00 36.38 33.48 1x39 s VAL 455 CO 0.66 -0.61 0.87 -0.67 -0.31 0.00 0.00 175.10 175.05 1x39 n ASP 456 N -2.15 0.53 0.25 4.85 2.03 -0.30 -4.87 116.55 116.89 1x39 n ASP 456 Ca 0.08 0.90 0.16 0.00 0.52 0.00 0.00 54.79 56.46 1x39 n ASP 456 Cb 0.53 -1.31 0.87 0.00 -0.72 0.00 0.00 41.12 40.49 1x39 n ASP 456 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1x39 h PRO 457 N 0.94 0.00 0.00 -0.67 0.13 -1.94 -1.17 132.00 129.29 1x39 h PRO 457 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1x39 h PRO 457 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1x39 h PRO 457 CO 0.53 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.17 1x39 n SER 458 N -3.81 0.30 -4.66 1.44 3.41 -1.26 -4.79 113.62 104.25 1x39 n SER 458 Ca -0.00 0.53 -0.40 0.00 -0.26 0.00 0.00 58.87 58.74 1x39 n SER 458 Cb 0.22 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.50 1x39 n SER 458 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x39 s THR 459 N -3.05 4.98 -0.16 6.66 -1.32 -0.44 -4.79 115.64 117.52 1x39 s THR 459 Ca 0.12 1.31 -0.27 0.00 -1.21 0.00 0.00 61.69 61.63 1x39 s THR 459 Cb 0.15 -4.00 -0.01 0.00 -1.51 0.00 0.00 72.50 67.14 1x39 s THR 459 CO 0.52 0.09 0.93 -0.69 -2.21 0.00 0.00 174.62 173.26 1x39 s VAL 460 N 1.97 4.80 -0.23 5.08 1.01 -0.88 -4.91 120.40 127.25 1x39 s VAL 460 Ca 0.31 1.85 -0.07 0.00 0.00 0.00 0.00 61.98 64.07 1x39 s VAL 460 Cb -0.16 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1x39 s VAL 460 CO 0.11 -0.03 0.07 -0.69 0.00 0.00 0.00 175.10 174.56 1x39 s VAL 461 N 2.35 4.49 -0.15 2.92 1.01 -1.26 -0.45 120.40 129.30 1x39 s VAL 461 Ca 0.43 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 1x39 s VAL 461 Cb -0.17 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1x39 s VAL 461 CO 0.13 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 174.85 1x39 s VAL 462 N 1.28 3.69 -0.17 2.92 1.01 -0.33 -4.98 120.40 123.81 1x39 s VAL 462 Ca 0.05 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1x39 s VAL 462 Cb -0.15 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1x39 s VAL 462 CO 0.04 0.50 0.04 0.12 0.00 0.00 0.00 175.10 175.79 1x39 s PHE 463 N 0.43 3.21 -0.06 5.22 5.36 -1.26 -0.46 117.98 130.42 1x39 s PHE 463 Ca -0.05 0.00 -0.02 0.00 -0.96 0.00 0.00 56.93 55.90 1x39 s PHE 463 Cb -0.15 -2.05 0.03 0.00 -0.34 0.00 0.00 43.02 40.52 1x39 s PHE 463 CO 0.03 0.13 0.07 0.00 -1.46 0.00 0.00 175.22 173.99 1x39 s ALA 464 N 0.34 0.23 0.17 11.12 0.00 -0.75 -4.99 121.76 127.88 1x39 s ALA 464 Ca 0.02 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1x39 s ALA 464 Cb -0.13 -0.68 0.07 0.00 0.00 0.00 0.00 23.12 22.38 1x39 s ALA 464 CO 0.01 -0.57 1.78 1.49 0.00 0.00 0.00 175.76 178.47 1x39 h GLU 465 N 8.43 0.78 -1.63 0.00 4.81 -1.85 -3.23 114.58 121.91 1x39 h GLU 465 Ca -0.12 -0.09 -0.49 0.00 -0.13 0.00 0.00 59.36 58.52 1x39 h GLU 465 Cb 1.12 -0.15 -0.34 0.00 0.63 0.00 0.00 28.75 30.01 1x39 h GLU 465 CO 0.17 0.60 -0.98 -1.71 -0.73 0.00 0.00 179.01 176.36 1x39 n ASN 466 N -4.61 -0.50 -4.78 1.04 5.15 -1.26 -1.23 115.26 109.06 1x39 n ASN 466 Ca 0.03 -2.79 -0.36 0.00 -0.60 0.00 0.00 54.58 50.87 1x39 n ASN 466 Cb 0.08 -0.13 -0.03 0.00 -0.53 0.00 0.00 39.78 39.18 1x39 n ASN 466 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1x39 s PRO 467 N -0.72 3.85 0.63 1.20 0.04 -1.26 -5.03 135.00 133.70 1x39 s PRO 467 Ca 0.34 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 1x39 s PRO 467 Cb 0.17 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1x39 s PRO 467 CO -0.14 -0.42 0.96 0.16 0.04 0.00 0.00 177.00 177.60 1x39 s ASP 468 N -1.70 5.50 0.28 6.66 3.84 -1.26 -4.73 116.67 125.26 1x39 s ASP 468 Ca 0.64 0.81 0.02 0.00 -0.00 0.00 0.00 52.55 54.03 1x39 s ASP 468 Cb -0.21 -1.73 0.61 0.00 -1.38 0.00 0.00 42.92 40.21 1x39 s ASP 468 CO 0.26 -1.17 1.78 0.00 -0.00 0.00 0.00 175.17 176.04 1x39 h ALA 469 N -0.33 1.46 -0.42 2.11 0.00 -1.96 -2.12 119.26 117.99 1x39 h ALA 469 Ca -0.45 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1x39 h ALA 469 Cb 1.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1x39 h ALA 469 CO 0.62 -0.02 -0.19 1.49 0.00 0.00 0.00 179.25 181.15 1x39 h GLU 470 N 0.74 0.83 -0.68 0.00 4.81 -1.93 -1.37 114.58 116.97 1x39 h GLU 470 Ca 0.51 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1x39 h GLU 470 Cb 0.72 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 1x39 h GLU 470 CO -0.35 0.95 0.39 0.35 -0.73 0.00 0.00 179.01 179.62 1x39 h PHE 471 N 0.73 0.73 -0.00 0.92 3.57 -1.77 -1.88 116.94 119.23 1x39 h PHE 471 Ca 0.11 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1x39 h PHE 471 Cb 0.71 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1x39 h PHE 471 CO 0.04 0.37 -0.01 0.28 -2.23 0.00 0.00 178.31 176.77 1x39 h VAL 472 N 0.74 1.42 -0.50 1.41 2.07 -1.31 -2.67 116.25 117.42 1x39 h VAL 472 Ca 0.29 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1x39 h VAL 472 Cb 0.13 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1x39 h VAL 472 CO -0.16 0.33 0.32 0.50 0.02 0.00 0.00 177.57 178.58 1x39 h LYS 473 N -0.52 0.66 -0.04 1.57 1.63 -1.17 -2.56 116.57 116.14 1x39 h LYS 473 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1x39 h LYS 473 Cb 0.54 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1x39 h LYS 473 CO 0.00 0.45 0.00 -1.13 -3.45 0.00 0.00 179.45 175.32 1x39 n SER 474 N -4.45 2.78 0.05 4.20 3.41 -0.72 -4.51 113.62 114.38 1x39 n SER 474 Ca 0.04 -1.92 0.12 0.00 -0.26 0.00 0.00 58.87 56.86 1x39 n SER 474 Cb 0.06 -0.01 0.49 0.00 -0.26 0.00 0.00 64.21 64.49 1x39 n SER 474 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x39 n GLY 475 N 1.33 -1.46 2.74 5.00 0.00 -0.97 -4.93 105.19 106.90 1x39 n GLY 475 Ca 0.15 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1x39 n GLY 475 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x39 n GLY 476 N 1.02 -0.16 3.81 -0.02 0.00 -1.26 -5.00 105.19 103.58 1x39 n GLY 476 Ca 0.05 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1x39 n GLY 476 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x39 s PHE 477 N -3.06 3.66 0.04 1.61 0.40 -1.26 -4.52 117.98 114.85 1x39 s PHE 477 Ca 0.27 1.39 -0.09 0.00 -0.60 0.00 0.00 56.93 57.90 1x39 s PHE 477 Cb -0.12 -2.62 -0.32 0.00 0.51 0.00 0.00 43.02 40.48 1x39 s PHE 477 CO 0.34 0.35 1.03 0.77 0.70 0.00 0.00 175.22 178.41 1x39 h SER 478 N 3.47 0.61 -5.26 1.36 0.02 -1.23 -3.48 113.55 109.04 1x39 h SER 478 Ca -0.48 -0.68 0.14 0.00 -0.84 0.00 0.00 61.79 59.94 1x39 h SER 478 Cb 1.19 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.47 1x39 h SER 478 CO 0.65 1.54 0.44 -0.72 -1.14 0.00 0.00 176.83 177.60 1x39 s TYR 479 N -2.62 -0.10 0.06 3.45 -0.85 -1.26 -4.66 117.35 111.37 1x39 s TYR 479 Ca -0.07 -0.28 0.05 0.00 -0.52 0.00 0.00 57.07 56.25 1x39 s TYR 479 Cb 0.06 0.67 -0.03 0.00 0.38 0.00 0.00 41.96 43.04 1x39 s TYR 479 CO 0.91 -0.96 -0.13 0.00 -1.52 0.00 0.00 175.55 173.84 1x39 s ALA 480 N -3.18 1.07 -0.19 9.51 0.00 -0.30 -1.75 121.76 126.92 1x39 s ALA 480 Ca 0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1x39 s ALA 480 Cb -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1x39 s ALA 480 CO 0.04 0.15 -0.15 0.42 0.00 0.00 0.00 175.76 176.22 1x39 s ILE 481 N -1.20 2.48 -0.12 0.00 1.01 0.34 -0.99 121.20 122.72 1x39 s ILE 481 Ca -0.03 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1x39 s ILE 481 Cb -0.10 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1x39 s ILE 481 CO 0.02 0.50 -0.20 0.54 0.00 0.00 0.00 174.94 175.80 1x39 s VAL 482 N 1.35 1.86 -0.14 2.92 0.11 -0.33 -0.66 120.40 125.51 1x39 s VAL 482 Ca 0.05 -0.87 0.02 0.00 -2.93 0.00 0.00 61.98 58.25 1x39 s VAL 482 Cb -0.13 -1.65 0.01 0.00 -1.53 0.00 0.00 36.38 33.08 1x39 s VAL 482 CO -0.10 0.51 -0.20 0.00 -3.33 0.00 0.00 175.10 171.98 1x39 s ALA 483 N 0.73 2.13 0.27 1.54 0.00 -0.06 -0.11 121.76 126.27 1x39 s ALA 483 Ca -0.10 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.84 1x39 s ALA 483 Cb -0.16 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1x39 s ALA 483 CO 0.01 -0.09 0.26 0.14 0.00 0.00 0.00 175.76 176.08 1x39 s VAL 484 N 0.93 0.00 -5.00 0.00 -7.23 -0.82 -1.26 120.40 107.02 1x39 s VAL 484 Ca -0.05 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1x39 s VAL 484 Cb -0.15 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1x39 s VAL 484 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1x39 n GLY 485 N -0.45 0.13 3.84 2.32 0.00 -1.26 -0.58 105.19 109.18 1x39 n GLY 485 Ca 0.04 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 1x39 n GLY 485 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x39 s GLU 486 N -2.00 3.92 0.48 1.61 2.02 -0.18 -4.22 118.70 120.33 1x39 s GLU 486 Ca 0.00 0.99 -0.04 0.00 0.02 0.00 0.00 54.97 55.93 1x39 s GLU 486 Cb 0.00 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 1x39 s GLU 486 CO 0.00 -0.29 0.77 -1.01 0.02 0.00 0.00 175.26 174.75 1x39 s HIS 487 N -2.58 3.51 0.41 1.61 3.76 -1.26 -4.84 115.29 115.90 1x39 s HIS 487 Ca 0.59 0.72 -0.27 0.00 -0.15 0.00 0.00 55.06 55.96 1x39 s HIS 487 Cb -0.10 -2.31 -0.09 0.00 1.11 0.00 0.00 32.58 31.18 1x39 s HIS 487 CO 0.30 -0.31 1.43 -2.14 -0.85 0.00 0.00 174.74 173.18 1x39 s PRO 488 N -4.72 3.91 0.15 8.40 0.02 -1.26 -4.93 135.00 136.56 1x39 s PRO 488 Ca 0.47 2.44 -0.20 0.00 0.02 0.00 0.00 61.00 63.74 1x39 s PRO 488 Cb -0.10 -2.81 0.05 0.00 0.02 0.00 0.00 34.50 31.66 1x39 s PRO 488 CO 0.44 -0.64 0.50 1.52 -0.33 0.00 0.00 177.00 178.49 1x39 s TYR 489 N -1.17 -0.37 -0.10 6.54 -0.85 -1.21 -4.84 117.35 115.34 1x39 s TYR 489 Ca 0.57 0.10 -0.09 0.00 -0.52 0.00 0.00 57.07 57.13 1x39 s TYR 489 Cb -0.44 0.41 0.03 0.00 0.38 0.00 0.00 41.96 42.34 1x39 s TYR 489 CO 0.58 -0.78 0.27 0.99 -1.52 0.00 0.00 175.55 175.09 1x39 s THR 490 N -3.78 -0.01 0.00 -3.49 2.01 -1.26 -3.72 115.64 105.39 1x39 s THR 490 Ca 0.02 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1x39 s THR 490 Cb 0.00 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.12 1x39 s THR 490 CO -0.12 0.01 0.00 -0.62 -0.69 0.00 0.00 174.62 173.20 1x39 n GLU 491 N 3.20 0.00 0.03 4.92 1.02 -1.25 -2.98 120.64 125.58 1x39 n GLU 491 Ca -0.15 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.01 1x39 n GLU 491 Cb 0.57 0.00 0.39 0.00 -0.02 0.00 0.00 31.44 32.38 1x39 n GLU 491 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1x39 h THR 492 N 0.00 1.14 -0.17 2.62 2.02 -1.94 -0.32 112.91 116.26 1x39 h THR 492 Ca 0.00 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.76 1x39 h THR 492 Cb 0.00 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1x39 h THR 492 CO 0.00 0.17 0.24 0.11 0.37 0.00 0.00 175.52 176.42 1x39 h LYS 493 N 0.46 0.00 0.00 6.66 1.79 -1.93 -0.83 116.57 122.72 1x39 h LYS 493 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1x39 h LYS 493 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1x39 h LYS 493 CO -0.01 0.00 -0.53 0.41 -1.08 0.00 0.00 179.45 178.24 1x39 n GLY 494 N -1.35 -1.28 3.72 3.86 0.00 -0.13 -4.83 105.19 105.17 1x39 n GLY 494 Ca 0.01 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1x39 n GLY 494 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x39 n ASP 495 N -1.61 3.65 -3.40 1.61 8.00 -0.32 -3.70 116.55 120.78 1x39 n ASP 495 Ca 0.05 1.11 -0.03 0.00 0.71 0.00 0.00 54.79 56.63 1x39 n ASP 495 Cb 0.35 -1.54 -0.05 0.00 -0.02 0.00 0.00 41.12 39.86 1x39 n ASP 495 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1x39 s ASN 496 N 0.72 -0.68 0.05 -2.24 3.84 -0.47 -4.90 114.94 111.26 1x39 s ASN 496 Ca 0.70 0.86 0.25 0.00 0.21 0.00 0.00 52.86 54.88 1x39 s ASN 496 Cb -0.54 1.75 0.60 0.00 -0.55 0.00 0.00 41.25 42.51 1x39 s ASN 496 CO 0.42 -0.26 1.49 0.18 -2.79 0.00 0.00 177.10 176.15 1x39 n LEU 497 N 5.41 0.49 -0.06 3.21 4.77 -1.26 -4.20 117.00 125.36 1x39 n LEU 497 Ca -0.05 0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 56.06 1x39 n LEU 497 Cb 0.50 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 1x39 n LEU 497 CO 0.02 0.03 -0.90 -0.46 -1.33 0.00 0.00 177.39 174.75 1x39 n ASN 498 N -1.72 1.74 -4.13 -1.43 0.23 -1.26 -4.93 115.26 103.75 1x39 n ASN 498 Ca 0.05 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 53.76 1x39 n ASN 498 Cb 0.37 0.91 -0.01 0.00 -2.08 0.00 0.00 39.78 38.97 1x39 n ASN 498 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1x39 n LEU 499 N -2.44 -1.94 -4.61 -4.53 4.77 -1.26 -4.75 117.00 102.24 1x39 n LEU 499 Ca -0.20 -0.96 -0.34 0.00 -0.03 0.00 0.00 56.01 54.49 1x39 n LEU 499 Cb 0.87 -2.20 -0.11 0.00 -2.33 0.00 0.00 43.42 39.66 1x39 n LEU 499 CO 0.28 0.34 -0.36 0.42 -1.33 0.00 0.00 177.39 176.74 1x39 s THR 500 N -3.35 3.85 0.53 -5.08 -4.23 -1.26 -0.69 115.64 105.41 1x39 s THR 500 Ca 0.66 -0.47 -0.20 0.00 -1.18 0.00 0.00 61.69 60.50 1x39 s THR 500 Cb -0.35 -2.60 -0.06 0.00 1.34 0.00 0.00 72.50 70.82 1x39 s THR 500 CO 0.90 0.56 1.15 0.27 -0.54 0.00 0.00 174.62 176.96 1x39 s ILE 501 N -0.86 3.10 0.73 2.99 -4.36 -1.26 -4.98 121.20 116.56 1x39 s ILE 501 Ca 0.14 0.72 -0.14 0.00 -0.26 0.00 0.00 60.65 61.10 1x39 s ILE 501 Cb -0.11 -3.31 0.04 0.00 1.25 0.00 0.00 42.46 40.33 1x39 s ILE 501 CO 0.03 -0.12 1.18 -2.16 0.24 0.00 0.00 174.94 174.11 1x39 s PRO 502 N -3.15 2.18 0.12 0.37 0.04 -1.26 -4.89 135.00 128.42 1x39 s PRO 502 Ca 0.71 1.64 0.02 0.00 0.04 0.00 0.00 61.00 63.41 1x39 s PRO 502 Cb -0.26 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1x39 s PRO 502 CO 0.29 -1.77 0.22 -1.21 0.04 0.00 0.00 177.00 174.57 1x39 s GLU 503 N -4.06 3.30 0.05 4.56 0.41 -1.26 -3.43 118.70 118.27 1x39 s GLU 503 Ca 0.71 -0.61 -0.31 0.00 -0.41 0.00 0.00 54.97 54.36 1x39 s GLU 503 Cb -0.26 -2.91 -0.06 0.00 -1.78 0.00 0.00 34.13 29.12 1x39 s GLU 503 CO 0.46 0.54 1.23 -1.25 -0.49 0.00 0.00 175.26 175.75 1x39 s PRO 504 N -2.95 4.40 0.00 0.39 0.04 -1.26 -5.10 135.00 130.52 1x39 s PRO 504 Ca 0.34 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1x39 s PRO 504 Cb -0.11 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1x39 s PRO 504 CO 0.27 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1x39 n GLY 505 N 3.29 -0.91 0.32 0.56 0.00 -1.22 -4.69 105.19 102.54 1x39 n GLY 505 Ca 0.10 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 1x39 n GLY 505 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x39 h LEU 506 N 0.00 0.99 -0.90 0.99 5.85 -1.90 -1.82 115.31 118.51 1x39 h LEU 506 Ca 0.00 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1x39 h LEU 506 Cb 0.00 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1x39 h LEU 506 CO 0.00 0.77 0.59 0.77 -0.34 0.00 0.00 178.44 180.23 1x39 h SER 507 N 1.12 0.99 -0.17 1.25 4.64 -1.96 0.20 113.55 119.62 1x39 h SER 507 Ca 0.29 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 1x39 h SER 507 Cb -0.03 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1x39 h SER 507 CO -0.05 0.69 0.02 0.74 -0.87 0.00 0.00 176.83 177.35 1x39 h THR 508 N 1.16 1.23 -0.44 2.95 2.02 -1.79 -0.78 112.91 117.26 1x39 h THR 508 Ca 0.35 -0.77 0.06 0.00 0.77 0.00 0.00 66.41 66.82 1x39 h THR 508 Cb -0.03 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1x39 h THR 508 CO -0.11 0.23 0.16 0.58 0.37 0.00 0.00 175.52 176.75 1x39 h VAL 509 N 0.06 0.87 -0.63 3.16 2.07 -1.05 -0.38 116.25 120.34 1x39 h VAL 509 Ca 0.05 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1x39 h VAL 509 Cb 0.33 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1x39 h VAL 509 CO 0.01 0.06 0.40 1.56 0.02 0.00 0.00 177.57 179.62 1x39 h GLN 510 N 0.33 0.84 -0.36 1.57 4.20 -0.80 0.44 115.11 121.33 1x39 h GLN 510 Ca 0.21 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 1x39 h GLN 510 Cb 0.20 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1x39 h GLN 510 CO -0.21 0.58 0.09 0.00 -0.67 0.00 0.00 178.83 178.61 1x39 h ALA 511 N 1.21 0.47 0.13 3.87 0.00 -0.77 -1.11 119.26 123.07 1x39 h ALA 511 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1x39 h ALA 511 Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1x39 h ALA 511 CO -0.05 0.15 -0.06 0.28 0.00 0.00 0.00 179.25 179.56 1x39 h VAL 512 N 0.43 1.03 0.00 0.00 2.07 -0.98 -3.16 116.25 115.63 1x39 h VAL 512 Ca 0.11 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 1x39 h VAL 512 Cb 0.31 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1x39 h VAL 512 CO 0.00 0.23 -0.23 0.00 0.02 0.00 0.00 177.57 177.59 1x39 h GLY 514 N 1.01 0.00 0.00 0.00 0.00 -1.23 -3.30 103.07 99.55 1x39 h GLY 514 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1x39 h GLY 514 CO 0.03 0.00 -1.96 0.61 0.00 0.00 0.00 176.54 175.22 1x39 n GLY 515 N -0.30 -0.87 3.47 4.60 0.00 -0.49 -4.98 105.19 106.61 1x39 n GLY 515 Ca -0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 1x39 n GLY 515 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x39 s VAL 516 N -3.07 0.00 0.30 1.61 0.11 -0.86 -4.42 120.40 114.08 1x39 s VAL 516 Ca -0.07 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.68 1x39 s VAL 516 Cb 0.10 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.83 1x39 s VAL 516 CO 0.77 0.00 1.44 -2.11 -3.33 0.00 0.00 175.10 171.87 1x39 n ARG 517 N 0.12 2.33 -4.06 1.54 1.85 -1.26 -4.21 116.66 112.98 1x39 n ARG 517 Ca -0.16 0.83 -0.14 0.00 -1.00 0.00 0.00 57.85 57.37 1x39 n ARG 517 Cb 0.62 -2.51 -0.13 0.00 -1.05 0.00 0.00 32.46 29.39 1x39 n ARG 517 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x39 s ALA 519 N -0.54 3.09 -0.15 0.00 0.00 -0.16 -2.15 121.76 121.85 1x39 s ALA 519 Ca -0.03 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 1x39 s ALA 519 Cb -0.04 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 1x39 s ALA 519 CO -0.00 -0.75 0.42 0.99 0.00 0.00 0.00 175.76 176.42 1x39 s THR 520 N 1.54 5.21 -0.30 0.00 2.01 0.05 -1.19 115.64 122.97 1x39 s THR 520 Ca 0.04 0.80 -0.06 0.00 0.31 0.00 0.00 61.69 62.79 1x39 s THR 520 Cb -0.16 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.61 1x39 s THR 520 CO 0.03 0.31 0.06 -0.69 -0.69 0.00 0.00 174.62 173.64 1x39 s VAL 521 N 0.84 3.69 -0.27 3.82 1.01 0.84 -0.81 120.40 129.51 1x39 s VAL 521 Ca 0.22 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 1x39 s VAL 521 Cb -0.15 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1x39 s VAL 521 CO 0.08 0.02 0.40 -0.22 0.00 0.00 0.00 175.10 175.39 1x39 s LEU 522 N 1.43 4.06 -0.29 3.92 2.96 0.42 -1.95 118.68 129.23 1x39 s LEU 522 Ca 0.01 0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 54.11 1x39 s LEU 522 Cb -0.18 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1x39 s LEU 522 CO 0.01 -0.22 0.18 -0.63 -1.32 0.00 0.00 176.35 174.37 1x39 s ILE 523 N 2.13 5.07 0.17 6.68 -1.09 0.25 -1.11 121.20 133.29 1x39 s ILE 523 Ca 0.16 -0.04 -0.21 0.00 -2.23 0.00 0.00 60.65 58.33 1x39 s ILE 523 Cb -0.16 -3.47 0.06 0.00 -1.58 0.00 0.00 42.46 37.31 1x39 s ILE 523 CO 0.10 0.19 0.57 -0.94 -1.23 0.00 0.00 174.94 173.62 1x39 s SER 524 N 1.71 -0.46 0.00 3.58 1.04 -0.66 -1.01 113.70 117.90 1x39 s SER 524 Ca 0.06 -0.14 0.19 0.00 0.48 0.00 0.00 55.95 56.54 1x39 s SER 524 Cb -0.16 0.59 0.55 0.00 0.10 0.00 0.00 66.02 67.09 1x39 s SER 524 CO 0.09 -0.98 1.44 0.61 0.98 0.00 0.00 173.24 175.37 1x39 n GLY 525 N -0.36 0.98 3.60 7.32 0.00 -1.26 -3.21 105.19 112.27 1x39 n GLY 525 Ca -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1x39 n GLY 525 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x39 s ARG 526 N -1.56 0.12 0.49 1.61 1.70 -1.26 -2.84 118.95 117.22 1x39 s ARG 526 Ca 0.33 -0.06 -0.24 0.00 -0.47 0.00 0.00 55.73 55.30 1x39 s ARG 526 Cb 0.18 0.05 -0.07 0.00 -0.57 0.00 0.00 34.95 34.54 1x39 s ARG 526 CO 0.26 -0.06 1.40 -1.25 -1.08 0.00 0.00 175.30 174.57 1x39 s PRO 527 N -2.15 3.46 0.19 3.89 0.04 -1.26 -5.02 135.00 134.14 1x39 s PRO 527 Ca 0.13 2.34 0.01 0.00 0.04 0.00 0.00 61.00 63.52 1x39 s PRO 527 Cb 0.03 -2.49 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 1x39 s PRO 527 CO -0.04 -0.97 0.03 0.14 0.04 0.00 0.00 177.00 176.20 1x39 s VAL 528 N -1.25 0.55 -0.13 -0.36 -7.23 -1.26 -5.00 120.40 105.71 1x39 s VAL 528 Ca 0.65 -1.98 -0.35 0.00 -1.81 0.00 0.00 61.98 58.50 1x39 s VAL 528 Cb -0.42 -2.23 -0.12 0.00 0.56 0.00 0.00 36.38 34.16 1x39 s VAL 528 CO 0.52 -0.36 1.86 0.52 -0.31 0.00 0.00 175.10 177.34 1x39 n VAL 529 N -0.27 0.53 0.00 1.32 0.31 0.14 -4.83 118.33 115.53 1x39 n VAL 529 Ca -0.05 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1x39 n VAL 529 Cb 0.64 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1x39 n VAL 529 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1x39 n VAL 530 N 5.06 0.00 -0.17 2.52 3.14 -1.26 -4.76 118.33 122.85 1x39 n VAL 530 Ca 0.23 -0.25 -0.02 0.00 -2.96 0.00 0.00 64.34 61.35 1x39 n VAL 530 Cb 0.26 0.85 0.08 0.00 -1.06 0.00 0.00 33.84 33.97 1x39 n VAL 530 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1x39 h GLN 531 N 0.00 0.25 -0.76 1.45 7.50 -1.93 0.21 115.11 121.83 1x39 h GLN 531 Ca 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 1x39 h GLN 531 Cb 0.00 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.44 1x39 h GLN 531 CO 0.00 0.16 0.40 -1.35 -1.50 0.00 0.00 178.83 176.55 1x39 h PRO 532 N 0.25 1.08 -0.39 1.46 0.11 -2.00 0.15 132.00 132.66 1x39 h PRO 532 Ca 0.27 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1x39 h PRO 532 Cb 0.36 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1x39 h PRO 532 CO -0.34 0.81 0.22 -0.07 -0.21 0.00 0.00 178.00 178.42 1x39 h LEU 533 N 1.06 0.48 -0.29 2.35 3.38 -1.74 -2.66 115.31 117.90 1x39 h LEU 533 Ca 0.27 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1x39 h LEU 533 Cb 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1x39 h LEU 533 CO -0.04 0.42 0.08 -0.07 0.09 0.00 0.00 178.44 178.92 1x39 h LEU 534 N 0.51 0.07 -0.89 1.67 4.07 -0.64 -2.43 115.31 117.66 1x39 h LEU 534 Ca 0.14 0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.19 1x39 h LEU 534 Cb 0.04 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 41.75 1x39 h LEU 534 CO -0.02 0.07 0.57 0.00 -1.08 0.00 0.00 178.44 177.97 1x39 h ALA 535 N 1.20 1.21 0.00 1.53 0.00 -0.81 -2.45 119.26 119.94 1x39 h ALA 535 Ca 0.13 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1x39 h ALA 535 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1x39 h ALA 535 CO -0.15 0.35 -0.61 0.00 0.00 0.00 0.00 179.25 178.84 1x39 h ALA 536 N 1.40 0.84 -2.66 0.00 0.00 -1.31 -3.47 119.26 114.05 1x39 h ALA 536 Ca 0.38 -0.55 -0.58 0.00 0.00 0.00 0.00 54.91 54.15 1x39 h ALA 536 Cb 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1x39 h ALA 536 CO -0.15 0.76 -0.24 -1.12 0.00 0.00 0.00 179.25 178.50 1x39 s SER 537 N -6.67 6.62 -0.02 0.00 0.01 -0.92 -4.73 113.70 107.99 1x39 s SER 537 Ca 0.00 0.78 -0.20 0.00 1.31 0.00 0.00 55.95 57.84 1x39 s SER 537 Cb 0.11 -2.17 -0.30 0.00 0.21 0.00 0.00 66.02 63.87 1x39 s SER 537 CO 0.75 0.12 0.97 0.44 0.41 0.00 0.00 173.24 175.93 1x39 h ASP 538 N 3.41 0.57 -4.57 2.44 5.19 -1.80 -3.41 116.42 118.26 1x39 h ASP 538 Ca -0.48 -0.90 -0.36 0.00 -0.62 0.00 0.00 57.03 54.67 1x39 h ASP 538 Cb 1.18 -0.18 -0.22 0.00 0.18 0.00 0.00 39.33 40.29 1x39 h ASP 538 CO 0.68 1.42 -0.76 0.00 -3.12 0.00 0.00 179.24 177.45 1x39 s ALA 539 N -2.67 0.92 -0.02 3.45 0.00 -0.91 0.24 121.76 122.77 1x39 s ALA 539 Ca -0.13 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1x39 s ALA 539 Cb 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.11 1x39 s ALA 539 CO 0.85 0.10 0.01 -1.17 0.00 0.00 0.00 175.76 175.55 1x39 s LEU 540 N -1.60 1.40 -0.12 0.00 0.20 -0.56 -0.77 118.68 117.24 1x39 s LEU 540 Ca -0.05 0.01 0.03 0.00 0.69 0.00 0.00 54.13 54.81 1x39 s LEU 540 Cb -0.10 -0.10 0.01 0.00 -0.43 0.00 0.00 46.19 45.57 1x39 s LEU 540 CO 0.01 -0.08 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.09 1x39 s VAL 541 N 0.71 1.97 -0.45 1.68 1.01 0.01 -1.03 120.40 124.31 1x39 s VAL 541 Ca -0.06 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 1x39 s VAL 541 Cb -0.09 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1x39 s VAL 541 CO -0.02 0.54 0.89 0.00 0.00 0.00 0.00 175.10 176.51 1x39 s ALA 542 N 0.60 3.27 -1.88 5.51 0.00 0.20 -0.44 121.76 129.02 1x39 s ALA 542 Ca -0.13 -0.80 0.21 0.00 0.00 0.00 0.00 51.96 51.24 1x39 s ALA 542 Cb -0.17 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 1x39 s ALA 542 CO 0.03 -1.97 1.03 0.00 0.00 0.00 0.00 175.76 174.86 1x39 n ALA 543 N 7.01 3.50 -0.87 0.00 0.00 -0.27 -0.78 120.51 129.10 1x39 n ALA 543 Ca 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1x39 n ALA 543 Cb 0.48 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1x39 n ALA 543 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1x39 n TRP 544 N -0.07 0.00 -3.90 0.00 7.02 -1.23 -3.60 117.44 115.65 1x39 n TRP 544 Ca 0.08 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.28 1x39 n TRP 544 Cb 0.44 0.02 -0.12 0.00 -2.42 0.00 0.00 31.31 29.22 1x39 n TRP 544 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x39 s LEU 545 N 0.00 4.64 0.06 -0.99 1.43 -1.20 -1.66 118.68 120.97 1x39 s LEU 545 Ca 0.00 -3.64 0.20 0.00 -1.03 0.00 0.00 54.13 49.66 1x39 s LEU 545 Cb 0.00 -1.62 0.85 0.00 0.03 0.00 0.00 46.19 45.45 1x39 s LEU 545 CO 0.00 -0.12 1.64 -0.81 0.23 0.00 0.00 176.35 177.29 1x39 n PRO 546 N 2.25 0.05 0.00 1.29 -0.04 -1.03 -1.84 135.00 135.68 1x39 n PRO 546 Ca 0.16 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1x39 n PRO 546 Cb 0.34 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1x39 n PRO 546 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x39 n GLY 547 N 0.47 -1.10 0.18 0.55 0.00 -0.92 -3.05 105.19 101.32 1x39 n GLY 547 Ca 0.04 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.44 1x39 n GLY 547 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x39 h SER 548 N 0.83 0.00 -3.24 1.61 4.64 -1.33 -3.39 113.55 112.67 1x39 h SER 548 Ca 0.00 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.55 1x39 h SER 548 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 1x39 h SER 548 CO 0.00 0.00 0.40 -0.62 -0.87 0.00 0.00 176.83 175.74 1x39 n GLU 549 N -2.70 3.61 0.29 4.77 -0.58 -1.26 -0.54 120.64 124.22 1x39 n GLU 549 Ca 0.04 -4.51 0.18 0.00 -0.42 0.00 0.00 57.16 52.45 1x39 n GLU 549 Cb 0.41 -2.50 0.94 0.00 -0.57 0.00 0.00 31.44 29.72 1x39 n GLU 549 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1x39 h GLY 550 N 6.01 0.00 2.00 0.62 0.00 -1.30 -1.36 103.07 109.04 1x39 h GLY 550 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1x39 h GLY 550 CO 1.08 0.00 0.00 1.46 0.00 0.00 0.00 176.54 179.08 1x39 h GLN 551 N 0.00 0.00 -0.63 4.80 4.20 -1.84 -1.71 115.11 119.92 1x39 h GLN 551 Ca 0.04 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.77 1x39 h GLN 551 Cb 0.43 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1x39 h GLN 551 CO -0.00 0.00 0.42 0.78 -0.67 0.00 0.00 178.83 179.36 1x39 h GLY 552 N 1.34 0.85 0.61 3.46 0.00 -1.42 0.14 103.07 108.06 1x39 h GLY 552 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1x39 h GLY 552 CO 0.00 0.27 -0.02 -2.08 0.00 0.00 0.00 176.54 174.71 1x39 h VAL 553 N 0.76 1.34 0.00 4.60 2.07 -1.51 -3.26 116.25 120.24 1x39 h VAL 553 Ca 0.25 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 1x39 h VAL 553 Cb 0.05 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1x39 h VAL 553 CO -0.07 0.28 -0.45 0.71 0.02 0.00 0.00 177.57 178.06 1x39 h THR 554 N -0.33 1.09 -0.93 2.57 1.35 -1.52 -1.92 112.91 113.23 1x39 h THR 554 Ca 0.01 -1.68 0.16 0.00 -0.55 0.00 0.00 66.41 64.35 1x39 h THR 554 Cb 0.46 1.97 -0.08 0.00 -1.73 0.00 0.00 68.15 68.77 1x39 h THR 554 CO 0.01 0.44 0.59 0.44 -0.25 0.00 0.00 175.52 176.75 1x39 h ASP 555 N 0.00 0.67 0.19 5.36 3.32 -1.01 -0.84 116.42 124.11 1x39 h ASP 555 Ca -0.00 0.05 -0.35 0.00 0.02 0.00 0.00 57.03 56.74 1x39 h ASP 555 Cb 0.93 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1x39 h ASP 555 CO 0.06 0.31 -1.82 0.00 -1.72 0.00 0.00 179.24 176.07 1x39 h ALA 556 N 1.60 0.25 -0.93 3.45 0.00 -1.56 -1.51 119.26 120.56 1x39 h ALA 556 Ca 0.48 -1.22 0.04 0.00 0.00 0.00 0.00 54.91 54.21 1x39 h ALA 556 Cb 0.80 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1x39 h ALA 556 CO -0.24 1.12 0.61 -0.07 0.00 0.00 0.00 179.25 180.67 1x39 h LEU 557 N 0.10 1.00 -2.21 0.00 3.38 -0.99 -2.38 115.31 114.21 1x39 h LEU 557 Ca -0.36 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1x39 h LEU 557 Cb 2.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1x39 h LEU 557 CO 0.15 0.68 0.00 0.49 0.09 0.00 0.00 178.44 179.85 1x39 n PHE 558 N -4.45 0.65 -1.15 1.13 3.01 -0.35 -0.75 117.46 115.54 1x39 n PHE 558 Ca 0.13 -0.32 -0.05 0.00 1.01 0.00 0.00 57.45 58.21 1x39 n PHE 558 Cb 0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.57 1x39 n PHE 558 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x39 n GLY 559 N 1.48 0.78 0.25 1.37 0.00 -0.90 -4.68 105.19 103.49 1x39 n GLY 559 Ca 0.20 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.51 1x39 n GLY 559 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x39 h ASP 560 N 0.00 0.23 -4.67 1.61 3.32 -1.57 0.18 116.42 115.52 1x39 h ASP 560 Ca -0.11 -0.03 -0.23 0.00 0.02 0.00 0.00 57.03 56.68 1x39 h ASP 560 Cb 0.36 -0.06 -0.17 0.00 0.22 0.00 0.00 39.33 39.68 1x39 h ASP 560 CO 0.15 0.32 -0.71 -0.36 -1.72 0.00 0.00 179.24 176.93 1x39 s PHE 561 N -4.88 0.82 0.36 4.55 0.40 -0.86 -4.76 117.98 113.62 1x39 s PHE 561 Ca -0.06 -0.80 -0.09 0.00 -0.60 0.00 0.00 56.93 55.37 1x39 s PHE 561 Cb 0.16 -0.48 -0.06 0.00 0.51 0.00 0.00 43.02 43.14 1x39 s PHE 561 CO 0.72 -0.14 0.71 0.20 0.70 0.00 0.00 175.22 177.41 1x39 s GLY 562 N -2.64 1.96 0.21 4.36 0.00 -1.26 -4.40 107.32 105.57 1x39 s GLY 562 Ca 0.06 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.20 1x39 s GLY 562 CO -0.03 -0.10 1.40 -1.36 0.00 0.00 0.00 173.10 173.01 1x39 s PHE 563 N -2.25 3.12 0.00 1.90 0.40 -1.25 -4.85 117.98 115.05 1x39 s PHE 563 Ca 0.50 1.05 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 1x39 s PHE 563 Cb -0.10 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.68 1x39 s PHE 563 CO 0.30 -2.45 0.00 0.25 0.70 0.00 0.00 175.22 174.01 1x39 n THR 564 N 2.72 0.00 -1.82 0.64 -2.24 -1.26 -3.55 114.28 108.77 1x39 n THR 564 Ca 0.08 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 1x39 n THR 564 Cb 0.41 0.56 0.04 0.00 -2.10 0.00 0.00 70.33 69.24 1x39 n THR 564 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x39 s GLY 565 N -0.27 2.88 0.00 3.38 0.00 -1.13 -4.99 107.32 107.19 1x39 s GLY 565 Ca 0.00 1.30 0.05 0.00 0.00 0.00 0.00 44.72 46.07 1x39 s GLY 565 CO 0.00 1.82 -0.15 0.50 0.00 0.00 0.00 173.10 175.26 1x39 s ARG 566 N -2.90 1.18 -0.01 2.90 0.52 -0.67 -4.56 118.95 115.42 1x39 s ARG 566 Ca 0.71 -0.61 -0.36 0.00 -0.52 0.00 0.00 55.73 54.95 1x39 s ARG 566 Cb -0.39 -1.16 -0.15 0.00 0.52 0.00 0.00 34.95 33.77 1x39 s ARG 566 CO 0.47 0.31 1.58 1.28 0.02 0.00 0.00 175.30 178.95 1x39 n LEU 567 N 2.50 2.46 -0.61 2.53 4.77 0.30 -4.32 117.00 124.63 1x39 n LEU 567 Ca -0.15 1.08 0.12 0.00 -0.03 0.00 0.00 56.01 57.02 1x39 n LEU 567 Cb 0.55 -1.27 0.39 0.00 -2.33 0.00 0.00 43.42 40.76 1x39 n LEU 567 CO 0.24 -0.56 0.79 -0.81 -1.33 0.00 0.00 177.39 175.72 1x39 n PRO 568 N 4.05 1.82 -3.90 3.23 -0.04 -1.26 -0.28 135.00 138.61 1x39 n PRO 568 Ca 0.21 -1.22 -0.10 0.00 -0.04 0.00 0.00 63.50 62.35 1x39 n PRO 568 Cb 0.22 -1.44 -0.09 0.00 -0.04 0.00 0.00 33.50 32.15 1x39 n PRO 568 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x39 s ARG 569 N -1.86 0.63 0.22 0.54 0.52 -1.26 -3.08 118.95 114.65 1x39 s ARG 569 Ca 0.35 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 1x39 s ARG 569 Cb 0.19 0.25 -0.09 0.00 0.52 0.00 0.00 34.95 35.82 1x39 s ARG 569 CO 0.30 -0.17 1.33 0.99 0.02 0.00 0.00 175.30 177.77 1x39 s THR 570 N -2.65 3.08 -0.38 0.02 2.01 -1.26 -4.05 115.64 112.41 1x39 s THR 570 Ca -0.04 0.90 -0.15 0.00 0.31 0.00 0.00 61.69 62.71 1x39 s THR 570 Cb -0.01 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.93 1x39 s THR 570 CO -0.05 0.14 0.33 0.86 -0.69 0.00 0.00 174.62 175.22 1x39 s TRP 571 N 0.02 3.21 0.68 4.92 -0.11 -0.14 -4.84 118.94 122.69 1x39 s TRP 571 Ca 0.57 -0.33 -0.12 0.00 1.22 0.00 0.00 56.10 57.44 1x39 s TRP 571 Cb -0.38 -2.65 0.00 0.00 -1.50 0.00 0.00 33.47 28.94 1x39 s TRP 571 CO 0.40 -0.53 1.06 -0.59 -4.62 0.00 0.00 176.95 172.67 1x39 s PHE 572 N 1.87 3.07 0.04 5.86 -0.12 -1.26 -0.52 117.98 126.92 1x39 s PHE 572 Ca 0.08 1.44 -0.13 0.00 -0.05 0.00 0.00 56.93 58.27 1x39 s PHE 572 Cb -0.18 -2.91 -0.34 0.00 -0.63 0.00 0.00 43.02 38.96 1x39 s PHE 572 CO 0.11 -1.22 1.02 0.87 -0.05 0.00 0.00 175.22 175.95 1x39 h LYS 573 N -0.51 0.49 -3.07 1.99 1.57 -1.89 -3.39 116.57 111.76 1x39 h LYS 573 Ca -0.44 -0.84 -0.07 0.00 -1.87 0.00 0.00 60.65 57.44 1x39 h LYS 573 Cb 1.21 0.31 -0.15 0.00 0.08 0.00 0.00 32.23 33.68 1x39 h LYS 573 CO 0.57 1.40 -0.06 -1.54 -0.57 0.00 0.00 179.45 179.25 1x39 s SER 574 N -7.50 -0.31 0.59 0.86 1.04 -1.26 -4.92 113.70 102.19 1x39 s SER 574 Ca -0.08 -0.05 0.37 0.00 0.48 0.00 0.00 55.95 56.67 1x39 s SER 574 Cb 0.05 0.46 1.69 0.00 0.10 0.00 0.00 66.02 68.31 1x39 s SER 574 CO 0.93 -0.73 2.10 -0.37 0.98 0.00 0.00 173.24 176.15 1x39 h VAL 575 N 2.77 0.01 0.00 5.02 -1.51 -1.92 -2.15 116.25 118.47 1x39 h VAL 575 Ca -0.32 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1x39 h VAL 575 Cb 1.22 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1x39 h VAL 575 CO 0.44 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.88 1x39 n ASP 576 N -3.09 0.07 0.21 4.19 3.85 -1.26 -1.77 116.55 118.75 1x39 n ASP 576 Ca -0.00 0.51 0.14 0.00 -0.71 0.00 0.00 54.79 54.73 1x39 n ASP 576 Cb 0.24 -0.53 0.45 0.00 -1.35 0.00 0.00 41.12 39.92 1x39 n ASP 576 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 1x39 h GLN 577 N 0.00 0.00 -6.94 0.11 4.20 -1.81 -3.47 115.11 107.19 1x39 h GLN 577 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1x39 h GLN 577 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1x39 h GLN 577 CO 0.00 0.00 0.38 -0.51 -0.67 0.00 0.00 178.83 178.03 1x39 s LEU 578 N -5.71 4.19 0.43 1.46 1.43 -0.73 -3.98 118.68 115.78 1x39 s LEU 578 Ca 0.05 1.93 -0.23 0.00 -1.03 0.00 0.00 54.13 54.86 1x39 s LEU 578 Cb 0.08 -4.16 -0.09 0.00 0.03 0.00 0.00 46.19 42.06 1x39 s LEU 578 CO 0.57 -0.33 1.06 -2.16 0.23 0.00 0.00 176.35 175.72 1x39 s PRO 579 N -2.41 4.00 -0.23 1.29 0.04 -1.26 -5.06 135.00 131.37 1x39 s PRO 579 Ca 0.55 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1x39 s PRO 579 Cb -0.20 -2.38 0.12 0.00 0.04 0.00 0.00 34.50 32.08 1x39 s PRO 579 CO 0.25 -0.28 0.33 1.41 0.04 0.00 0.00 177.00 178.75 1x39 s MET 580 N -2.76 0.30 0.18 4.56 1.75 -1.26 -5.12 119.30 116.96 1x39 s MET 580 Ca 0.61 0.41 0.09 0.00 -1.25 0.00 0.00 55.69 55.56 1x39 s MET 580 Cb -0.21 -0.70 -0.04 0.00 2.84 0.00 0.00 34.83 36.72 1x39 s MET 580 CO 0.26 -0.66 -0.19 -0.80 -0.65 0.00 0.00 175.02 172.98 1x39 s ASN 581 N 2.48 2.82 0.17 1.11 -0.87 -1.26 -4.79 114.94 114.59 1x39 s ASN 581 Ca 0.11 -0.88 -0.34 0.00 -1.57 0.00 0.00 52.86 50.18 1x39 s ASN 581 Cb -0.15 -0.18 -0.15 0.00 -0.02 0.00 0.00 41.25 40.75 1x39 s ASN 581 CO -0.15 -0.02 1.45 1.33 -2.57 0.00 0.00 177.10 177.13 1x39 n VAL 582 N 0.19 0.31 0.00 1.60 0.24 -1.26 -1.61 118.33 117.80 1x39 n VAL 582 Ca -0.12 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1x39 n VAL 582 Cb 0.57 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 1x39 n VAL 582 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x39 n GLY 583 N 2.79 1.89 3.76 7.63 0.00 -1.26 -5.07 105.19 114.93 1x39 n GLY 583 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1x39 n GLY 583 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x39 s ASP 584 N -1.54 5.95 0.16 1.61 1.11 -0.64 -4.93 116.67 118.39 1x39 s ASP 584 Ca 0.00 2.61 -0.15 0.00 0.18 0.00 0.00 52.55 55.19 1x39 s ASP 584 Cb 0.00 -2.63 0.09 0.00 1.07 0.00 0.00 42.92 41.46 1x39 s ASP 584 CO 0.00 -1.09 1.75 0.00 1.18 0.00 0.00 175.17 177.01 1x39 h ALA 585 N 2.14 0.48 -2.16 5.23 0.00 -1.98 -3.28 119.26 119.69 1x39 h ALA 585 Ca -0.50 0.05 -0.73 0.00 0.00 0.00 0.00 54.91 53.73 1x39 h ALA 585 Cb 1.26 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.86 1x39 h ALA 585 CO 0.60 -0.24 -0.18 -1.58 0.00 0.00 0.00 179.25 177.85 1x39 s HIS 586 N -6.15 3.18 -0.25 0.00 5.65 -1.26 -5.00 115.29 111.46 1x39 s HIS 586 Ca -0.13 -0.97 0.00 0.00 0.25 0.00 0.00 55.06 54.21 1x39 s HIS 586 Cb 0.13 -3.51 0.07 0.00 -1.18 0.00 0.00 32.58 28.08 1x39 s HIS 586 CO 0.72 -0.96 -0.02 -0.47 -0.65 0.00 0.00 174.74 173.36 1x39 s TYR 587 N 1.92 2.30 -0.46 3.88 5.04 -1.24 -4.85 117.35 123.95 1x39 s TYR 587 Ca 0.06 -1.78 0.08 0.00 -2.44 0.00 0.00 57.07 53.00 1x39 s TYR 587 Cb -0.25 -1.66 0.28 0.00 0.35 0.00 0.00 41.96 40.68 1x39 s TYR 587 CO 0.06 -0.79 0.65 -3.47 -1.34 0.00 0.00 175.55 170.66 1x39 n ASP 588 N 4.69 1.43 -4.84 4.32 2.03 -1.26 -5.11 116.55 117.82 1x39 n ASP 588 Ca -0.09 -3.00 -0.32 0.00 0.52 0.00 0.00 54.79 51.90 1x39 n ASP 588 Cb 0.44 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 40.19 1x39 n ASP 588 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x39 s PRO 589 N -1.89 3.75 0.08 -0.67 0.04 -1.26 -4.43 135.00 130.61 1x39 s PRO 589 Ca 0.38 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 62.23 1x39 s PRO 589 Cb 0.21 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 1x39 s PRO 589 CO -0.09 -0.44 1.45 1.25 0.04 0.00 0.00 177.00 179.21 1x39 h LEU 590 N 0.63 0.53 -7.56 -3.56 5.85 -1.00 -3.44 115.31 106.76 1x39 h LEU 590 Ca -0.46 -0.40 -0.36 0.00 0.84 0.00 0.00 57.88 57.49 1x39 h LEU 590 Cb 1.19 -0.15 -0.35 0.00 0.37 0.00 0.00 40.66 41.73 1x39 h LEU 590 CO 0.60 0.81 -0.75 -0.36 -0.34 0.00 0.00 178.44 178.40 1x39 s PHE 591 N -4.63 0.35 0.66 1.25 0.40 -0.96 -5.03 117.98 110.03 1x39 s PHE 591 Ca -0.13 -0.00 -0.15 0.00 -0.60 0.00 0.00 56.93 56.05 1x39 s PHE 591 Cb 0.07 -0.49 0.00 0.00 0.51 0.00 0.00 43.02 43.12 1x39 s PHE 591 CO 0.77 -0.17 1.11 -0.98 0.70 0.00 0.00 175.22 176.65 1x39 s ARG 592 N 1.30 2.78 0.23 0.44 1.70 -1.26 -0.96 118.95 123.18 1x39 s ARG 592 Ca -0.06 1.37 -0.31 0.00 -0.47 0.00 0.00 55.73 56.26 1x39 s ARG 592 Cb -0.13 -1.95 -0.14 0.00 -0.57 0.00 0.00 34.95 32.16 1x39 s ARG 592 CO -0.02 -1.26 1.34 -0.11 -1.08 0.00 0.00 175.30 174.17 1x39 n LEU 593 N -2.47 2.70 0.00 -1.89 0.00 -1.26 -1.87 117.00 112.21 1x39 n LEU 593 Ca 0.10 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.26 1x39 n LEU 593 Cb 0.52 -1.37 0.00 0.00 0.00 0.00 0.00 43.42 42.57 1x39 n LEU 593 CO 0.48 -0.70 0.00 0.61 0.00 0.00 0.00 177.39 177.78 1x39 n GLY 594 N 2.09 1.07 3.77 -3.96 0.00 0.61 -4.95 105.19 103.82 1x39 n GLY 594 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1x39 n GLY 594 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x39 s TYR 595 N -2.27 2.94 -0.30 1.61 5.04 -0.78 -4.40 117.35 119.20 1x39 s TYR 595 Ca 0.00 1.35 -0.16 0.00 -2.44 0.00 0.00 57.07 55.81 1x39 s TYR 595 Cb 0.00 -3.76 0.21 0.00 0.35 0.00 0.00 41.96 38.76 1x39 s TYR 595 CO 0.00 -2.14 1.28 0.20 -1.34 0.00 0.00 175.55 173.55 1x39 s GLY 596 N -0.38 0.67 0.56 8.97 0.00 -1.26 -0.54 107.32 115.33 1x39 s GLY 596 Ca 0.50 3.90 -0.09 0.00 0.00 0.00 0.00 44.72 49.03 1x39 s GLY 596 CO 0.55 2.83 0.92 1.08 0.00 0.00 0.00 173.10 178.48 1x39 s LEU 597 N 1.08 3.41 0.26 0.66 1.43 -0.22 -4.96 118.68 120.34 1x39 s LEU 597 Ca -0.08 1.22 0.11 0.00 -1.03 0.00 0.00 54.13 54.35 1x39 s LEU 597 Cb -0.02 -4.22 -0.05 0.00 0.03 0.00 0.00 46.19 41.93 1x39 s LEU 597 CO -0.10 -0.74 -0.18 0.42 0.23 0.00 0.00 176.35 175.98 1x39 s THR 598 N -2.97 2.26 0.23 5.49 -4.23 -1.26 -4.37 115.64 110.79 1x39 s THR 598 Ca 0.52 -2.35 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 1x39 s THR 598 Cb -0.11 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 1x39 s THR 598 CO 0.49 -0.46 0.03 0.42 -0.54 0.00 0.00 174.62 174.57 1x39 s THR 599 N -2.64 0.81 0.04 3.99 -4.23 -1.23 -4.89 115.64 107.50 1x39 s THR 599 Ca 0.28 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1x39 s THR 599 Cb -0.04 -2.43 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1x39 s THR 599 CO 0.13 -0.23 -0.03 0.20 -0.54 0.00 0.00 174.62 174.15 1x39 s ASN 600 N -3.29 4.86 0.39 3.99 0.02 -1.26 -3.78 114.94 115.87 1x39 s ASN 600 Ca 0.31 -0.15 -0.27 0.00 -1.02 0.00 0.00 52.86 51.73 1x39 s ASN 600 Cb 0.07 -1.16 -0.11 0.00 0.02 0.00 0.00 41.25 40.07 1x39 s ASN 600 CO 0.10 0.23 1.36 0.00 0.02 0.00 0.00 177.10 178.81 1x39 n ALA 601 N 1.06 1.70 1.21 0.60 0.00 -1.26 -4.71 120.51 119.12 1x39 n ALA 601 Ca -0.13 0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.72 1x39 n ALA 601 Cb 0.52 -2.32 0.58 0.00 0.00 0.00 0.00 19.45 18.23 1x39 n ALA 601 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75