#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x38 s TYR 2 N 0.00 2.94 -0.41 -0.67 6.14 -1.26 -5.00 117.35 119.08 1x38 s TYR 2 Ca 0.00 0.96 -0.03 0.00 0.64 0.00 0.00 57.07 58.65 1x38 s TYR 2 Cb 0.00 -3.89 0.11 0.00 0.42 0.00 0.00 41.96 38.60 1x38 s TYR 2 CO 0.00 -2.93 0.21 0.08 0.64 0.00 0.00 175.55 173.55 1x38 s VAL 3 N -0.04 3.28 0.24 3.14 1.01 -1.26 -5.00 120.40 121.77 1x38 s VAL 3 Ca 0.60 -2.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.44 1x38 s VAL 3 Cb -0.44 -3.25 0.20 0.00 0.00 0.00 0.00 36.38 32.90 1x38 s VAL 3 CO 0.45 -0.70 1.82 0.25 0.00 0.00 0.00 175.10 176.92 1x38 h LEU 4 N 8.01 0.69 -2.35 3.92 6.46 -1.96 -2.28 115.31 127.81 1x38 h LEU 4 Ca -0.12 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1x38 h LEU 4 Cb 1.04 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1x38 h LEU 4 CO 0.70 0.42 -0.02 0.10 -0.62 0.00 0.00 178.44 179.01 1x38 h TYR 5 N 0.82 0.00 -0.00 1.25 -0.00 -1.88 -0.14 116.97 117.02 1x38 h TYR 5 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.11 1x38 h TYR 5 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.01 1x38 h TYR 5 CO -0.06 0.02 -0.24 1.63 -0.00 0.00 0.00 178.16 179.51 1x38 n LYS 6 N -3.22 0.29 -2.81 0.10 5.02 -0.86 -4.79 118.16 111.89 1x38 n LYS 6 Ca -0.02 -0.12 -0.43 0.00 -2.02 0.00 0.00 58.31 55.72 1x38 n LYS 6 Cb 0.17 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1x38 n LYS 6 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x38 s ASP 7 N -2.79 6.35 0.22 4.39 -1.08 -0.07 -4.92 116.67 118.76 1x38 s ASP 7 Ca 0.18 -0.32 0.18 0.00 -0.52 0.00 0.00 52.55 52.08 1x38 s ASP 7 Cb 0.19 -2.45 0.87 0.00 -1.46 0.00 0.00 42.92 40.07 1x38 s ASP 7 CO 0.58 -1.26 1.56 0.00 0.52 0.00 0.00 175.17 176.57 1x38 n ALA 8 N 7.57 1.32 1.05 3.66 0.00 -1.26 -2.14 120.51 130.71 1x38 n ALA 8 Ca 0.02 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1x38 n ALA 8 Cb 0.48 -1.29 0.39 0.00 0.00 0.00 0.00 19.45 19.03 1x38 n ALA 8 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x38 n THR 9 N -2.05 0.00 -3.22 0.00 -2.24 -1.26 -4.92 114.28 100.59 1x38 n THR 9 Ca 0.01 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 1x38 n THR 9 Cb 0.11 0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.31 1x38 n THR 9 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1x38 s LYS 10 N -2.92 3.94 0.51 -0.78 -0.14 -0.91 -5.04 119.74 114.39 1x38 s LYS 10 Ca 0.14 0.55 -0.23 0.00 -1.36 0.00 0.00 55.97 55.06 1x38 s LYS 10 Cb 0.18 -2.49 -0.06 0.00 -1.68 0.00 0.00 37.83 33.78 1x38 s LYS 10 CO 0.62 0.20 1.41 -2.14 -0.76 0.00 0.00 175.35 174.68 1x38 s PRO 11 N -2.95 3.37 0.19 -1.68 0.02 -1.26 -4.81 135.00 127.87 1x38 s PRO 11 Ca 0.52 2.36 -0.15 0.00 0.02 0.00 0.00 61.00 63.75 1x38 s PRO 11 Cb -0.10 -2.44 0.18 0.00 0.02 0.00 0.00 34.50 32.16 1x38 s PRO 11 CO 0.19 -1.05 1.65 0.28 -0.33 0.00 0.00 177.00 177.74 1x38 h VAL 12 N 1.84 0.49 -0.79 3.83 2.07 -1.96 -1.35 116.25 120.38 1x38 h VAL 12 Ca -0.51 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1x38 h VAL 12 Cb 1.29 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1x38 h VAL 12 CO 0.59 0.00 0.52 -0.33 0.02 0.00 0.00 177.57 178.38 1x38 h GLU 13 N 0.02 1.03 -0.51 1.57 4.39 -1.98 0.21 114.58 119.32 1x38 h GLU 13 Ca 0.26 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 1x38 h GLU 13 Cb 0.39 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1x38 h GLU 13 CO -0.52 0.68 0.06 -0.44 -1.16 0.00 0.00 179.01 177.63 1x38 h ASP 14 N 1.06 0.82 -0.40 1.42 3.32 -1.74 -1.95 116.42 118.96 1x38 h ASP 14 Ca 0.29 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1x38 h ASP 14 Cb -0.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1x38 h ASP 14 CO -0.06 0.89 -0.03 0.03 -1.72 0.00 0.00 179.24 178.35 1x38 h ARG 15 N 0.73 0.72 0.04 3.56 3.08 -0.21 -1.03 114.38 121.27 1x38 h ARG 15 Ca 0.15 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1x38 h ARG 15 Cb 0.43 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1x38 h ARG 15 CO 0.01 0.83 -0.11 0.28 -1.07 0.00 0.00 179.97 179.91 1x38 h VAL 16 N 0.54 0.74 -0.67 2.04 2.07 -0.60 -1.33 116.25 119.05 1x38 h VAL 16 Ca 0.11 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 1x38 h VAL 16 Cb 0.52 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1x38 h VAL 16 CO 0.03 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.75 1x38 h ALA 17 N 0.73 0.96 -0.41 1.67 0.00 -1.28 0.46 119.26 121.40 1x38 h ALA 17 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1x38 h ALA 17 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1x38 h ALA 17 CO -0.08 0.66 0.21 0.22 0.00 0.00 0.00 179.25 180.26 1x38 h ASP 18 N 1.02 0.52 -0.10 0.00 3.58 -1.06 -1.92 116.42 118.47 1x38 h ASP 18 Ca 0.21 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1x38 h ASP 18 Cb 0.40 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 1x38 h ASP 18 CO 0.01 0.48 -0.02 0.25 -2.88 0.00 0.00 179.24 177.08 1x38 h LEU 19 N 0.53 0.19 -0.73 2.28 5.85 -1.01 -3.22 115.31 119.20 1x38 h LEU 19 Ca 0.14 -0.36 0.12 0.00 0.84 0.00 0.00 57.88 58.63 1x38 h LEU 19 Cb 0.08 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 1x38 h LEU 19 CO -0.02 0.50 0.32 0.25 -0.34 0.00 0.00 178.44 179.15 1x38 h LEU 20 N -0.13 0.35 -1.24 2.25 5.85 -0.83 -1.14 115.31 120.42 1x38 h LEU 20 Ca 0.03 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1x38 h LEU 20 Cb 0.42 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1x38 h LEU 20 CO 0.01 0.16 0.00 1.23 -0.34 0.00 0.00 178.44 179.50 1x38 h GLY 21 N 0.50 0.00 0.25 3.75 0.00 -1.35 -2.33 103.07 103.89 1x38 h GLY 21 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1x38 h GLY 21 CO -0.35 0.00 -1.07 0.54 0.00 0.00 0.00 176.54 175.66 1x38 n ARG 22 N -2.32 0.15 -3.05 4.80 1.74 -0.44 -5.01 116.66 112.53 1x38 n ARG 22 Ca -0.00 -0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.66 1x38 n ARG 22 Cb 0.12 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 29.98 1x38 n ARG 22 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1x38 s MET 23 N -3.11 4.47 0.78 5.56 -1.94 -0.88 -5.08 119.30 119.10 1x38 s MET 23 Ca 0.05 1.05 -0.12 0.00 -1.71 0.00 0.00 55.69 54.97 1x38 s MET 23 Cb 0.16 -3.24 0.06 0.00 2.01 0.00 0.00 34.83 33.81 1x38 s MET 23 CO 0.84 0.58 1.13 0.95 -0.01 0.00 0.00 175.02 178.51 1x38 s THR 24 N -1.15 2.76 0.23 2.05 -4.23 -1.26 -4.86 115.64 109.16 1x38 s THR 24 Ca 0.34 0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 61.02 1x38 s THR 24 Cb -0.22 -3.18 0.19 0.00 1.34 0.00 0.00 72.50 70.62 1x38 s THR 24 CO 0.24 -0.32 1.86 0.25 -0.54 0.00 0.00 174.62 176.12 1x38 h LEU 25 N -0.94 0.84 -0.75 4.79 5.85 -1.99 -0.61 115.31 122.49 1x38 h LEU 25 Ca -0.46 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.27 1x38 h LEU 25 Cb 1.29 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1x38 h LEU 25 CO 0.64 0.57 0.49 0.00 -0.34 0.00 0.00 178.44 179.80 1x38 h ALA 26 N 1.34 0.97 -0.50 1.25 0.00 -1.99 0.05 119.26 120.38 1x38 h ALA 26 Ca 0.33 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1x38 h ALA 26 Cb 0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1x38 h ALA 26 CO -0.12 0.34 -0.10 0.93 0.00 0.00 0.00 179.25 180.30 1x38 h GLU 27 N 0.99 0.91 -0.02 0.00 5.08 -1.79 -0.67 114.58 119.09 1x38 h GLU 27 Ca 0.29 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1x38 h GLU 27 Cb -0.07 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1x38 h GLU 27 CO -0.08 0.96 0.00 0.87 -1.00 0.00 0.00 179.01 179.77 1x38 h LYS 28 N 0.82 0.04 -0.47 2.33 1.57 -0.63 -2.41 116.57 117.81 1x38 h LYS 28 Ca 0.14 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1x38 h LYS 28 Cb 0.62 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1x38 h LYS 28 CO 0.04 0.27 0.00 0.82 -0.57 0.00 0.00 179.45 180.01 1x38 h ILE 29 N -0.20 1.24 -0.68 1.86 2.04 -0.99 -2.24 117.51 118.54 1x38 h ILE 29 Ca 0.01 -0.99 0.09 0.00 1.00 0.00 0.00 64.86 64.97 1x38 h ILE 29 Cb 0.25 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 1x38 h ILE 29 CO 0.00 0.35 0.33 1.23 0.00 0.00 0.00 178.15 180.06 1x38 h GLY 30 N 0.97 1.01 1.53 5.37 0.00 -1.06 -1.53 103.07 109.37 1x38 h GLY 30 Ca 0.14 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1x38 h GLY 30 CO 0.02 0.05 0.22 1.46 0.00 0.00 0.00 176.54 178.29 1x38 h GLN 31 N 0.57 0.26 -0.00 4.80 1.08 -0.88 0.69 115.11 121.62 1x38 h GLN 31 Ca 0.34 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1x38 h GLN 31 Cb 0.36 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1x38 h GLN 31 CO -0.27 0.17 -0.01 -1.33 -0.95 0.00 0.00 178.83 176.44 1x38 n MET 32 N -4.48 0.91 -3.76 1.46 2.81 -0.59 -4.28 117.12 109.19 1x38 n MET 32 Ca 0.03 -0.08 -0.36 0.00 -1.81 0.00 0.00 57.70 55.48 1x38 n MET 32 Cb 0.21 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.09 1x38 n MET 32 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1x38 s THR 33 N -2.15 4.25 -0.16 2.03 2.01 -0.61 -0.39 115.64 120.62 1x38 s THR 33 Ca 0.42 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 1x38 s THR 33 Cb 0.21 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1x38 s THR 33 CO 0.39 0.33 -0.06 -1.58 -0.69 0.00 0.00 174.62 173.01 1x38 s GLN 34 N 1.60 3.56 0.17 4.92 0.74 -0.20 -2.51 119.66 127.94 1x38 s GLN 34 Ca 0.06 -0.58 0.10 0.00 0.05 0.00 0.00 55.36 55.00 1x38 s GLN 34 Cb -0.15 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.05 1x38 s GLN 34 CO 0.03 0.17 -0.22 0.96 -0.55 0.00 0.00 175.29 175.68 1x38 s ILE 35 N 0.53 2.14 0.35 -2.34 -4.36 -0.69 -1.81 121.20 115.02 1x38 s ILE 35 Ca -0.04 -1.93 -0.28 0.00 -0.26 0.00 0.00 60.65 58.13 1x38 s ILE 35 Cb -0.15 -1.98 -0.10 0.00 1.25 0.00 0.00 42.46 41.48 1x38 s ILE 35 CO 0.03 -0.15 1.34 -1.61 0.24 0.00 0.00 174.94 174.79 1x38 s GLU 36 N -2.57 4.25 0.54 0.37 0.41 -0.01 -1.23 118.70 120.46 1x38 s GLU 36 Ca 0.17 2.28 0.26 0.00 -0.41 0.00 0.00 54.97 57.28 1x38 s GLU 36 Cb -0.08 -3.00 1.42 0.00 -1.78 0.00 0.00 34.13 30.69 1x38 s GLU 36 CO 0.08 -0.30 1.98 0.07 -0.49 0.00 0.00 175.26 176.60 1x38 h ARG 37 N 3.20 0.00 0.00 1.61 0.11 -1.61 -1.42 114.38 116.27 1x38 h ARG 37 Ca -0.49 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.58 1x38 h ARG 37 Cb 1.23 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 1x38 h ARG 37 CO 0.65 0.00 -0.03 -0.07 0.10 0.00 0.00 179.97 180.62 1x38 h LEU 38 N 0.00 0.00 -1.78 0.08 3.38 -1.91 -2.16 115.31 112.92 1x38 h LEU 38 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1x38 h LEU 38 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1x38 h LEU 38 CO -0.00 0.03 0.00 1.33 0.09 0.00 0.00 178.44 179.88 1x38 n VAL 39 N -3.35 0.21 -3.17 1.22 0.24 -0.55 -5.02 118.33 107.91 1x38 n VAL 39 Ca -0.02 -0.61 -0.35 0.00 -2.04 0.00 0.00 64.34 61.32 1x38 n VAL 39 Cb 0.14 1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 33.55 1x38 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x38 s ALA 40 N -1.04 3.43 0.05 2.33 0.00 -0.82 -4.99 121.76 120.73 1x38 s ALA 40 Ca 0.17 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 1x38 s ALA 40 Cb 0.11 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.51 1x38 s ALA 40 CO 0.16 0.36 0.29 -0.08 0.00 0.00 0.00 175.76 176.49 1x38 s THR 41 N -1.61 0.09 0.21 0.00 -1.32 -1.26 -5.01 115.64 106.73 1x38 s THR 41 Ca 0.44 -0.72 -0.10 0.00 -1.21 0.00 0.00 61.69 60.10 1x38 s THR 41 Cb -0.15 -0.98 0.16 0.00 -1.51 0.00 0.00 72.50 70.02 1x38 s THR 41 CO 0.20 -0.40 1.71 -0.65 -2.21 0.00 0.00 174.62 173.27 1x38 h PRO 42 N 3.16 0.26 -0.58 7.08 0.11 -1.95 -1.25 132.00 138.83 1x38 h PRO 42 Ca -0.32 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 1x38 h PRO 42 Cb 1.20 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1x38 h PRO 42 CO 0.47 0.17 0.26 -0.44 -0.21 0.00 0.00 178.00 178.25 1x38 h ASP 43 N 0.27 0.77 -0.62 -2.05 3.45 -1.97 -1.64 116.42 114.63 1x38 h ASP 43 Ca 0.31 -0.15 0.01 0.00 0.43 0.00 0.00 57.03 57.64 1x38 h ASP 43 Cb 0.46 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.00 1x38 h ASP 43 CO -0.39 0.70 0.40 0.58 -1.57 0.00 0.00 179.24 178.97 1x38 h VAL 44 N 0.79 1.14 -0.48 -1.35 2.07 -1.84 0.28 116.25 116.87 1x38 h VAL 44 Ca 0.20 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 1x38 h VAL 44 Cb 0.15 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1x38 h VAL 44 CO -0.02 0.15 -0.18 -0.07 0.02 0.00 0.00 177.57 177.47 1x38 h LEU 45 N 0.82 0.98 0.20 2.57 3.38 -1.00 -2.10 115.31 120.16 1x38 h LEU 45 Ca 0.23 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1x38 h LEU 45 Cb -0.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.41 1x38 h LEU 45 CO -0.06 1.14 -0.10 -0.09 0.09 0.00 0.00 178.44 179.43 1x38 h ARG 46 N 0.81 -0.26 -0.34 1.13 2.43 -1.18 -2.12 114.38 114.85 1x38 h ARG 46 Ca 0.11 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1x38 h ARG 46 Cb 0.75 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1x38 h ARG 46 CO 0.06 0.13 0.14 -0.44 -1.51 0.00 0.00 179.97 178.35 1x38 h ASP 47 N -0.80 0.42 -0.49 -3.80 3.32 -0.43 -2.58 116.42 112.06 1x38 h ASP 47 Ca -0.03 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1x38 h ASP 47 Cb 0.51 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1x38 h ASP 47 CO 0.05 0.38 0.00 0.59 -1.72 0.00 0.00 179.24 178.54 1x38 n ASN 48 N -4.41 3.43 -3.92 6.45 3.02 -0.79 -4.98 115.26 114.06 1x38 n ASN 48 Ca 0.02 -1.96 -0.28 0.00 -0.03 0.00 0.00 54.58 52.33 1x38 n ASN 48 Cb 0.13 -0.32 0.01 0.00 -0.61 0.00 0.00 39.78 38.99 1x38 n ASN 48 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1x38 n PHE 49 N 1.26 -2.02 -1.88 3.10 3.01 -0.97 -4.25 117.46 115.70 1x38 n PHE 49 Ca 0.19 0.85 -0.41 0.00 1.01 0.00 0.00 57.45 59.08 1x38 n PHE 49 Cb 0.55 -3.89 -0.01 0.00 -0.01 0.00 0.00 39.48 36.11 1x38 n PHE 49 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1x38 s ILE 50 N -3.49 2.29 -0.13 4.37 -1.09 -0.83 -3.34 121.20 118.97 1x38 s ILE 50 Ca 0.41 0.26 0.20 0.00 -2.23 0.00 0.00 60.65 59.29 1x38 s ILE 50 Cb -0.21 -3.17 -0.18 0.00 -1.58 0.00 0.00 42.46 37.33 1x38 s ILE 50 CO 0.85 0.05 0.69 0.61 -1.23 0.00 0.00 174.94 175.91 1x38 n GLY 51 N 1.58 -1.19 3.41 6.18 0.00 0.14 -4.71 105.19 110.60 1x38 n GLY 51 Ca 0.05 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1x38 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x38 s SER 52 N -5.21 -0.47 0.21 1.61 0.15 -1.04 -2.53 113.70 106.42 1x38 s SER 52 Ca -0.05 0.31 0.09 0.00 0.70 0.00 0.00 55.95 57.00 1x38 s SER 52 Cb 0.10 0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.85 1x38 s SER 52 CO 0.84 -0.65 -0.16 -0.76 1.20 0.00 0.00 173.24 173.71 1x38 s LEU 53 N -1.67 2.55 0.07 3.45 1.02 -0.79 -1.70 118.68 121.61 1x38 s LEU 53 Ca -0.08 -1.00 0.00 0.00 0.02 0.00 0.00 54.13 53.07 1x38 s LEU 53 Cb -0.01 -0.78 -0.04 0.00 0.02 0.00 0.00 46.19 45.38 1x38 s LEU 53 CO 0.02 -0.11 -0.05 -1.48 0.02 0.00 0.00 176.35 174.76 1x38 s LEU 54 N -3.28 2.48 -0.29 1.79 2.34 -0.36 -0.81 118.68 120.55 1x38 s LEU 54 Ca 0.23 -0.96 -0.11 0.00 0.06 0.00 0.00 54.13 53.35 1x38 s LEU 54 Cb -0.02 0.08 -0.04 0.00 -0.56 0.00 0.00 46.19 45.65 1x38 s LEU 54 CO 0.08 -0.52 0.18 -0.44 -1.06 0.00 0.00 176.35 174.59 1x38 s SER 55 N -2.85 5.87 1.12 1.48 0.01 -0.87 -1.46 113.70 117.01 1x38 s SER 55 Ca 0.07 -0.14 -0.16 0.00 1.31 0.00 0.00 55.95 57.03 1x38 s SER 55 Cb 0.05 -2.09 0.25 0.00 0.21 0.00 0.00 66.02 64.45 1x38 s SER 55 CO -0.07 -0.09 1.09 -0.83 0.41 0.00 0.00 173.24 173.75 1x38 s GLY 56 N 1.72 1.56 0.08 3.44 0.00 -1.26 -4.24 107.32 108.63 1x38 s GLY 56 Ca 0.07 -0.62 -0.35 0.00 0.00 0.00 0.00 44.72 43.82 1x38 s GLY 56 CO 0.10 0.14 1.62 0.61 0.00 0.00 0.00 173.10 175.56 1x38 n GLY 57 N -0.75 1.10 2.73 0.20 0.00 -1.26 -1.14 105.19 106.06 1x38 n GLY 57 Ca 0.08 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1x38 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x38 n GLY 58 N 3.53 0.80 3.47 -0.02 0.00 -1.25 -4.02 105.19 107.70 1x38 n GLY 58 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1x38 n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x38 s SER 59 N -2.64 6.46 0.11 1.61 0.15 -0.29 -4.97 113.70 114.13 1x38 s SER 59 Ca 0.00 -1.58 0.06 0.00 0.70 0.00 0.00 55.95 55.13 1x38 s SER 59 Cb 0.00 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1x38 s SER 59 CO 0.00 -1.28 -0.15 0.68 1.20 0.00 0.00 173.24 173.69 1x38 s VAL 60 N 3.59 1.34 0.33 4.45 -7.23 -1.26 -4.69 120.40 116.93 1x38 s VAL 60 Ca 0.32 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 58.91 1x38 s VAL 60 Cb -0.07 -1.46 0.15 0.00 0.56 0.00 0.00 36.38 35.56 1x38 s VAL 60 CO -0.03 -0.34 1.86 1.55 -0.31 0.00 0.00 175.10 177.83 1x38 h PRO 61 N 3.71 0.50 -2.36 4.82 0.13 -1.95 -3.45 132.00 133.40 1x38 h PRO 61 Ca -0.41 -0.12 0.13 0.00 -0.87 0.00 0.00 66.00 64.74 1x38 h PRO 61 Cb 1.19 -0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.14 1x38 h PRO 61 CO 0.48 0.56 0.47 -0.98 -0.23 0.00 0.00 178.00 178.29 1x38 s ARG 62 N -4.91 1.04 0.29 0.86 1.70 -1.26 -5.07 118.95 111.61 1x38 s ARG 62 Ca -0.07 -0.50 -0.29 0.00 -0.47 0.00 0.00 55.73 54.40 1x38 s ARG 62 Cb 0.15 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.84 1x38 s ARG 62 CO 0.77 -0.47 1.39 -1.59 -1.08 0.00 0.00 175.30 174.32 1x38 s LYS 63 N -3.25 4.29 -0.82 3.89 0.00 -1.26 -2.34 119.74 120.25 1x38 s LYS 63 Ca 0.08 2.29 0.00 0.00 0.00 0.00 0.00 55.97 58.35 1x38 s LYS 63 Cb -0.01 -3.08 0.00 0.00 0.00 0.00 0.00 37.83 34.73 1x38 s LYS 63 CO -0.04 -0.35 0.00 0.41 0.00 0.00 0.00 175.35 175.38 1x38 n GLY 64 N 1.54 0.94 3.77 0.59 0.00 -1.26 -4.97 105.19 105.80 1x38 n GLY 64 Ca 0.04 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1x38 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x38 s ALA 65 N -2.17 3.30 0.78 4.61 0.00 -0.99 -4.95 121.76 122.34 1x38 s ALA 65 Ca 0.00 1.44 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 1x38 s ALA 65 Cb 0.00 -3.57 0.06 0.00 0.00 0.00 0.00 23.12 19.61 1x38 s ALA 65 CO 0.00 -1.10 1.11 0.95 0.00 0.00 0.00 175.76 176.72 1x38 s THR 66 N -1.20 2.91 0.24 0.00 -4.23 -1.26 -4.51 115.64 107.59 1x38 s THR 66 Ca 0.59 0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 61.34 1x38 s THR 66 Cb -0.43 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 70.44 1x38 s THR 66 CO 0.56 -0.39 1.79 0.00 -0.54 0.00 0.00 174.62 176.04 1x38 h ALA 67 N -0.99 1.09 -0.85 3.99 0.00 -1.88 -1.56 119.26 119.06 1x38 h ALA 67 Ca -0.47 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1x38 h ALA 67 Cb 1.28 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1x38 h ALA 67 CO 0.62 0.01 0.56 -0.22 0.00 0.00 0.00 179.25 180.23 1x38 h LYS 68 N 0.69 1.12 -0.56 0.00 3.64 -1.91 -0.60 116.57 118.95 1x38 h LYS 68 Ca 0.38 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 1x38 h LYS 68 Cb 0.39 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1x38 h LYS 68 CO -0.27 0.74 0.27 0.93 -2.27 0.00 0.00 179.45 178.86 1x38 h GLU 69 N 1.16 0.80 -0.35 1.90 5.08 -1.66 0.72 114.58 122.23 1x38 h GLU 69 Ca 0.31 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1x38 h GLU 69 Cb -0.13 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 1x38 h GLU 69 CO -0.07 0.65 0.21 -1.49 -1.00 0.00 0.00 179.01 177.32 1x38 h TRP 70 N 0.76 0.46 -0.50 4.33 4.06 -1.00 -1.47 115.95 122.59 1x38 h TRP 70 Ca 0.19 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.18 1x38 h TRP 70 Cb 0.11 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.08 1x38 h TRP 70 CO -0.00 0.33 0.26 1.96 -3.56 0.00 0.00 178.44 177.43 1x38 h GLN 71 N 0.46 0.50 -0.60 0.49 4.20 -0.66 -0.70 115.11 118.80 1x38 h GLN 71 Ca 0.13 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1x38 h GLN 71 Cb 0.01 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1x38 h GLN 71 CO -0.02 0.33 0.20 -0.44 -0.67 0.00 0.00 178.83 178.22 1x38 h ASP 72 N 0.51 0.82 0.07 1.46 3.45 -0.72 0.14 116.42 122.15 1x38 h ASP 72 Ca 0.22 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.54 1x38 h ASP 72 Cb 0.11 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1x38 h ASP 72 CO -0.14 0.77 -0.03 -0.03 -1.57 0.00 0.00 179.24 178.24 1x38 h MET 73 N 0.87 -0.09 -0.33 3.56 4.05 -0.65 -1.32 114.93 121.02 1x38 h MET 73 Ca 0.20 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.60 1x38 h MET 73 Cb 0.24 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1x38 h MET 73 CO -0.01 0.13 0.10 0.28 0.23 0.00 0.00 176.91 177.64 1x38 h VAL 74 N -0.29 1.21 -0.69 -5.77 2.07 -0.95 -2.35 116.25 109.48 1x38 h VAL 74 Ca -0.01 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.87 1x38 h VAL 74 Cb 0.26 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1x38 h VAL 74 CO 0.01 0.24 0.45 0.44 0.02 0.00 0.00 177.57 178.73 1x38 h ASP 75 N 0.38 0.66 -0.48 0.57 3.45 -0.75 0.02 116.42 120.28 1x38 h ASP 75 Ca 0.11 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.54 1x38 h ASP 75 Cb 0.27 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1x38 h ASP 75 CO -0.00 0.44 0.19 1.23 -1.57 0.00 0.00 179.24 179.53 1x38 h GLY 76 N 0.76 0.76 0.96 2.75 0.00 -0.72 0.57 103.07 108.15 1x38 h GLY 76 Ca 0.29 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1x38 h GLY 76 CO -0.09 0.39 0.16 0.74 0.00 0.00 0.00 176.54 177.74 1x38 h PHE 77 N 0.63 0.74 -0.63 5.60 0.05 -1.03 -3.07 116.94 119.24 1x38 h PHE 77 Ca 0.16 -0.07 -0.02 0.00 3.82 0.00 0.00 57.97 61.87 1x38 h PHE 77 Cb 0.19 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 37.89 1x38 h PHE 77 CO 0.00 0.65 0.33 0.37 -0.18 0.00 0.00 178.31 179.49 1x38 h GLN 78 N 0.63 0.89 -0.99 1.51 5.75 -0.66 -2.31 115.11 119.92 1x38 h GLN 78 Ca 0.15 -0.11 0.12 0.00 -0.15 0.00 0.00 58.65 58.66 1x38 h GLN 78 Cb 0.24 -0.17 -0.08 0.00 1.07 0.00 0.00 27.48 28.54 1x38 h GLN 78 CO -0.01 0.68 0.62 -0.22 -2.65 0.00 0.00 178.83 177.25 1x38 h LYS 79 N 0.86 0.95 -0.34 1.69 3.64 -0.84 0.20 116.57 122.73 1x38 h LYS 79 Ca 0.22 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1x38 h LYS 79 Cb 0.06 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1x38 h LYS 79 CO -0.03 0.63 -0.06 0.00 -2.27 0.00 0.00 179.45 177.71 1x38 h ALA 80 N 1.53 0.47 -0.56 5.00 0.00 -1.34 -2.53 119.26 121.83 1x38 h ALA 80 Ca 0.49 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1x38 h ALA 80 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1x38 h ALA 80 CO -0.26 0.29 -0.03 0.00 0.00 0.00 0.00 179.25 179.25 1x38 h MET 82 N 0.89 0.00 -0.00 0.00 2.07 -0.52 -2.77 114.93 114.60 1x38 h MET 82 Ca 0.16 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.79 1x38 h MET 82 Cb 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.29 1x38 h MET 82 CO 0.03 0.00 -0.15 -1.13 1.07 0.00 0.00 176.91 176.73 1x38 n SER 83 N -2.72 0.60 -4.64 1.22 3.41 -0.97 -4.28 113.62 106.25 1x38 n SER 83 Ca 0.00 -0.62 -0.29 0.00 -0.26 0.00 0.00 58.87 57.70 1x38 n SER 83 Cb 0.23 -0.02 0.19 0.00 -0.26 0.00 0.00 64.21 64.34 1x38 n SER 83 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1x38 s THR 84 N -2.50 2.20 0.23 6.66 -4.23 -1.04 -4.91 115.64 112.05 1x38 s THR 84 Ca 0.27 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.79 1x38 s THR 84 Cb 0.20 -2.43 0.20 0.00 1.34 0.00 0.00 72.50 71.81 1x38 s THR 84 CO 0.49 -0.09 1.74 -0.09 -0.54 0.00 0.00 174.62 176.14 1x38 h ARG 85 N -2.00 0.47 0.00 3.99 2.43 -1.90 -2.28 114.38 115.09 1x38 h ARG 85 Ca -0.55 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1x38 h ARG 85 Cb 1.32 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1x38 h ARG 85 CO 0.54 0.31 -1.18 1.28 -1.51 0.00 0.00 179.97 179.41 1x38 n LEU 86 N -4.96 0.56 -3.30 3.80 4.77 -1.26 -4.99 117.00 111.62 1x38 n LEU 86 Ca 0.13 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.90 1x38 n LEU 86 Cb 0.36 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1x38 n LEU 86 CO 0.21 0.02 0.21 0.61 -1.33 0.00 0.00 177.39 177.10 1x38 n GLY 87 N 1.33 -0.39 3.65 -0.72 0.00 -0.86 -4.95 105.19 103.25 1x38 n GLY 87 Ca 0.01 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1x38 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x38 s ILE 88 N -3.30 4.41 0.41 -0.61 1.01 -1.26 -4.74 121.20 117.12 1x38 s ILE 88 Ca 0.45 1.67 -0.25 0.00 0.00 0.00 0.00 60.65 62.52 1x38 s ILE 88 Cb -0.20 -4.19 -0.08 0.00 0.01 0.00 0.00 42.46 38.00 1x38 s ILE 88 CO 0.66 -0.27 1.21 -2.16 0.00 0.00 0.00 174.94 174.38 1x38 s PRO 89 N 3.56 3.97 0.60 2.79 0.04 -1.26 -4.48 135.00 140.22 1x38 s PRO 89 Ca 0.50 1.93 -0.13 0.00 0.04 0.00 0.00 61.00 63.34 1x38 s PRO 89 Cb -0.17 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 1x38 s PRO 89 CO 0.14 -0.42 1.02 0.00 0.04 0.00 0.00 177.00 177.78 1x38 s MET 90 N -2.33 3.59 -0.12 4.56 0.23 -1.26 -4.97 119.30 119.00 1x38 s MET 90 Ca 0.58 0.87 -0.02 0.00 -1.03 0.00 0.00 55.69 56.09 1x38 s MET 90 Cb -0.33 -2.08 -0.03 0.00 -1.53 0.00 0.00 34.83 30.86 1x38 s MET 90 CO 0.41 -0.57 -0.04 -1.50 -2.03 0.00 0.00 175.02 171.30 1x38 s ILE 91 N -2.94 3.92 -0.22 3.16 2.07 -1.05 -4.99 121.20 121.15 1x38 s ILE 91 Ca 0.57 -0.37 -0.06 0.00 -1.41 0.00 0.00 60.65 59.38 1x38 s ILE 91 Cb -0.11 -2.68 -0.03 0.00 0.13 0.00 0.00 42.46 39.77 1x38 s ILE 91 CO 0.46 0.54 0.03 -0.47 -1.91 0.00 0.00 174.94 173.59 1x38 s TYR 92 N -0.12 3.07 0.21 3.50 5.04 -1.26 -1.88 117.35 125.91 1x38 s TYR 92 Ca 0.03 -0.43 0.07 0.00 -2.44 0.00 0.00 57.07 54.30 1x38 s TYR 92 Cb -0.13 -2.14 -0.04 0.00 0.35 0.00 0.00 41.96 40.00 1x38 s TYR 92 CO 0.02 -0.27 0.09 0.20 -1.34 0.00 0.00 175.55 174.26 1x38 s GLY 93 N 1.21 1.61 0.02 8.97 0.00 0.01 -2.66 107.32 116.47 1x38 s GLY 93 Ca 0.04 -1.41 -0.27 0.00 0.00 0.00 0.00 44.72 43.08 1x38 s GLY 93 CO 0.02 -1.44 0.61 -1.50 0.00 0.00 0.00 173.10 170.79 1x38 s ILE 94 N -1.98 0.01 -1.12 0.90 2.07 -0.68 -2.05 121.20 118.35 1x38 s ILE 94 Ca 0.31 -0.07 -0.21 0.00 -1.41 0.00 0.00 60.65 59.27 1x38 s ILE 94 Cb -0.08 -0.98 0.07 0.00 0.13 0.00 0.00 42.46 41.59 1x38 s ILE 94 CO 0.22 -0.04 1.53 -1.81 -1.91 0.00 0.00 174.94 172.93 1x38 s ASP 95 N -1.70 6.64 -0.97 4.50 1.11 -1.26 -1.00 116.67 123.99 1x38 s ASP 95 Ca -0.07 -1.88 -0.13 0.00 0.18 0.00 0.00 52.55 50.65 1x38 s ASP 95 Cb -0.01 -2.56 0.22 0.00 1.07 0.00 0.00 42.92 41.65 1x38 s ASP 95 CO 0.02 -1.34 0.99 0.00 1.18 0.00 0.00 175.17 176.02 1x38 s ALA 96 N 4.46 4.21 -0.43 5.23 0.00 -1.26 -4.34 121.76 129.63 1x38 s ALA 96 Ca 0.48 -3.43 0.09 0.00 0.00 0.00 0.00 51.96 49.10 1x38 s ALA 96 Cb 0.01 -3.66 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 1x38 s ALA 96 CO -0.04 -2.39 0.39 1.33 0.00 0.00 0.00 175.76 175.06 1x38 n VAL 97 N 3.80 0.00 -2.90 0.00 0.24 -1.26 -4.64 118.33 113.57 1x38 n VAL 97 Ca 0.21 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 62.10 1x38 n VAL 97 Cb 0.44 0.97 0.03 0.00 -1.47 0.00 0.00 33.84 33.82 1x38 n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x38 n HIS 98 N -1.24 -2.03 -0.71 6.34 1.44 -1.26 -4.81 115.22 112.94 1x38 n HIS 98 Ca 0.02 -2.57 0.00 0.00 -2.01 0.00 0.00 57.72 53.16 1x38 n HIS 98 Cb 0.15 0.90 0.00 0.00 0.12 0.00 0.00 29.99 31.16 1x38 n HIS 98 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x38 n GLY 99 N 0.90 -2.81 2.67 -1.39 0.00 -1.26 -0.94 105.19 102.36 1x38 n GLY 99 Ca 0.13 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1x38 n GLY 99 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x38 n GLN 100 N -0.24 3.59 0.17 1.61 -0.06 -1.26 -4.39 117.38 116.80 1x38 n GLN 100 Ca 0.00 -3.04 0.13 0.00 -2.00 0.00 0.00 57.00 52.09 1x38 n GLN 100 Cb 0.00 -2.96 0.55 0.00 -4.06 0.00 0.00 30.24 23.77 1x38 n GLN 100 CO 0.00 0.00 0.00 -2.95 -0.20 0.00 0.00 177.06 173.91 1x38 h ASN 101 N 5.49 0.00 1.19 1.69 7.08 -1.82 -2.06 115.58 127.15 1x38 h ASN 101 Ca 0.58 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.80 1x38 h ASN 101 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 1x38 h ASN 101 CO 1.70 0.00 0.00 0.78 -2.08 0.00 0.00 177.43 177.83 1x38 h ASN 102 N 0.00 0.00 -3.24 6.14 2.35 -1.85 0.14 115.58 119.12 1x38 h ASN 102 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 1x38 h ASN 102 Cb 0.38 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.64 1x38 h ASN 102 CO 0.00 0.00 -0.45 -0.69 -1.65 0.00 0.00 177.43 174.64 1x38 s VAL 103 N -3.20 5.39 0.19 2.81 1.01 -0.78 -4.52 120.40 121.30 1x38 s VAL 103 Ca 0.08 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.03 1x38 s VAL 103 Cb 0.11 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.88 1x38 s VAL 103 CO 0.52 0.44 1.58 -0.47 0.00 0.00 0.00 175.10 177.17 1x38 s TYR 104 N 0.30 3.01 0.00 5.22 5.04 -1.26 -2.05 117.35 127.60 1x38 s TYR 104 Ca 0.10 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 1x38 s TYR 104 Cb -0.12 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.23 1x38 s TYR 104 CO -0.00 -3.49 0.00 0.41 -1.34 0.00 0.00 175.55 171.12 1x38 n GLY 105 N 3.46 1.27 3.76 8.97 0.00 -1.26 -4.90 105.19 116.49 1x38 n GLY 105 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1x38 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x38 s ALA 106 N -3.28 3.33 0.19 4.61 0.00 -0.87 -3.16 121.76 122.58 1x38 s ALA 106 Ca 0.00 0.94 -0.32 0.00 0.00 0.00 0.00 51.96 52.58 1x38 s ALA 106 Cb 0.00 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 1x38 s ALA 106 CO 0.00 -0.31 1.74 2.41 0.00 0.00 0.00 175.76 179.60 1x38 n THR 107 N 0.77 0.07 -3.75 0.00 -1.04 -1.26 -4.85 114.28 104.21 1x38 n THR 107 Ca 0.01 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 61.63 1x38 n THR 107 Cb 0.45 -1.99 -0.13 0.00 -1.82 0.00 0.00 70.33 66.85 1x38 n THR 107 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1x38 s ILE 108 N 1.44 4.01 0.57 12.58 -1.09 -1.26 -4.03 121.20 133.42 1x38 s ILE 108 Ca 0.77 -0.67 -0.06 0.00 -2.23 0.00 0.00 60.65 58.45 1x38 s ILE 108 Cb -0.51 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1x38 s ILE 108 CO 0.33 0.08 0.89 -0.36 -1.23 0.00 0.00 174.94 174.65 1x38 s PHE 109 N 1.51 3.39 0.55 3.97 0.40 -0.12 -1.11 117.98 126.56 1x38 s PHE 109 Ca 0.03 0.77 -0.21 0.00 -0.60 0.00 0.00 56.93 56.92 1x38 s PHE 109 Cb -0.17 -2.62 -0.05 0.00 0.51 0.00 0.00 43.02 40.69 1x38 s PHE 109 CO 0.03 -0.66 1.21 -2.30 0.70 0.00 0.00 175.22 174.19 1x38 n PRO 110 N -2.52 1.42 -0.99 0.24 -0.02 -1.17 -4.36 135.00 127.60 1x38 n PRO 110 Ca 0.04 0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 1x38 n PRO 110 Cb 0.56 -2.40 0.17 0.00 -0.02 0.00 0.00 33.50 31.81 1x38 n PRO 110 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1x38 s HIS 111 N -1.35 2.00 0.27 6.00 3.76 -0.72 -4.71 115.29 120.53 1x38 s HIS 111 Ca 0.72 1.31 -0.00 0.00 -0.15 0.00 0.00 55.06 56.94 1x38 s HIS 111 Cb -0.43 -3.18 0.54 0.00 1.11 0.00 0.00 32.58 30.62 1x38 s HIS 111 CO 0.49 -2.80 1.78 -0.91 -0.85 0.00 0.00 174.74 172.46 1x38 h ASN 112 N -1.85 0.64 -0.86 1.40 -0.26 -1.76 -1.92 115.58 110.98 1x38 h ASN 112 Ca -0.51 0.08 0.05 0.00 -0.56 0.00 0.00 56.30 55.36 1x38 h ASN 112 Cb 1.29 -0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 38.46 1x38 h ASN 112 CO 0.52 0.29 0.54 1.62 -1.06 0.00 0.00 177.43 179.34 1x38 h VAL 113 N 0.72 1.07 -0.54 2.81 3.04 -1.13 0.13 116.25 122.36 1x38 h VAL 113 Ca 0.47 -0.35 -0.07 0.00 -1.01 0.00 0.00 66.70 65.74 1x38 h VAL 113 Cb 0.62 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.86 1x38 h VAL 113 CO -0.33 0.18 0.05 1.23 -1.01 0.00 0.00 177.57 177.69 1x38 h GLY 114 N 1.01 0.99 0.85 3.17 0.00 -1.66 -2.36 103.07 105.07 1x38 h GLY 114 Ca 0.36 -0.70 0.05 0.00 0.00 0.00 0.00 47.33 47.05 1x38 h GLY 114 CO -0.15 0.64 0.65 1.41 0.00 0.00 0.00 176.54 179.08 1x38 h LEU 115 N 0.80 1.06 -1.20 3.11 3.38 -0.77 -1.38 115.31 120.31 1x38 h LEU 115 Ca 0.16 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1x38 h LEU 115 Cb 0.47 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1x38 h LEU 115 CO 0.02 0.71 0.56 1.23 0.09 0.00 0.00 178.44 181.04 1x38 h GLY 116 N 1.22 1.20 2.00 0.83 0.00 -0.37 -1.64 103.07 106.32 1x38 h GLY 116 Ca 0.40 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1x38 h GLY 116 CO -0.14 0.34 -0.07 0.00 0.00 0.00 0.00 176.54 176.68 1x38 h ALA 117 N 1.51 1.33 0.00 3.60 0.00 -0.75 -2.49 119.26 122.47 1x38 h ALA 117 Ca 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1x38 h ALA 117 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1x38 h ALA 117 CO -0.11 0.09 -0.21 1.79 0.00 0.00 0.00 179.25 180.81 1x38 h THR 118 N 0.00 0.48 -6.30 0.00 1.35 -1.11 -2.03 112.91 105.30 1x38 h THR 118 Ca -0.00 -1.18 -0.47 0.00 -0.55 0.00 0.00 66.41 64.21 1x38 h THR 118 Cb 0.21 1.84 -0.18 0.00 -1.73 0.00 0.00 68.15 68.28 1x38 h THR 118 CO 0.01 0.21 -0.70 0.54 -0.25 0.00 0.00 175.52 175.33 1x38 n ARG 119 N -3.31 -2.84 -3.74 4.72 5.12 -0.94 -4.92 116.66 110.75 1x38 n ARG 119 Ca 0.01 0.34 -0.29 0.00 -1.93 0.00 0.00 57.85 55.98 1x38 n ARG 119 Cb 0.46 -5.03 -0.12 0.00 -1.16 0.00 0.00 32.46 26.61 1x38 n ARG 119 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1x38 s ASP 120 N -3.01 3.68 0.52 0.55 -1.08 -1.26 -4.98 116.67 111.09 1x38 s ASP 120 Ca 0.61 -3.14 0.17 0.00 -0.52 0.00 0.00 52.55 49.66 1x38 s ASP 120 Cb -0.33 -1.18 1.27 0.00 -1.46 0.00 0.00 42.92 41.21 1x38 s ASP 120 CO 0.74 -0.19 2.13 -0.65 0.52 0.00 0.00 175.17 177.72 1x38 h PRO 121 N 6.07 0.03 -0.21 4.34 0.11 -1.91 -2.41 132.00 138.02 1x38 h PRO 121 Ca 0.08 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.01 1x38 h PRO 121 Cb 0.86 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1x38 h PRO 121 CO 0.56 0.02 -0.60 -0.92 -0.21 0.00 0.00 178.00 176.85 1x38 h TYR 122 N 0.03 0.90 -0.44 0.65 3.20 -1.93 0.36 116.97 119.74 1x38 h TYR 122 Ca 0.04 -0.34 0.07 0.00 3.14 0.00 0.00 58.73 61.64 1x38 h TYR 122 Cb 0.13 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 1x38 h TYR 122 CO -0.00 1.13 0.08 1.25 -1.64 0.00 0.00 178.16 178.98 1x38 h LEU 123 N 0.53 -0.01 -0.74 2.82 5.85 -1.88 -0.59 115.31 121.29 1x38 h LEU 123 Ca -0.00 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1x38 h LEU 123 Cb 1.19 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1x38 h LEU 123 CO 0.12 0.03 0.21 0.58 -0.34 0.00 0.00 178.44 179.04 1x38 h VAL 124 N 0.21 1.26 -0.42 1.05 2.07 -1.06 -0.61 116.25 118.76 1x38 h VAL 124 Ca 0.21 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.84 1x38 h VAL 124 Cb 0.27 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1x38 h VAL 124 CO -0.29 0.37 0.15 0.50 0.02 0.00 0.00 177.57 178.32 1x38 h LYS 125 N 1.11 0.30 -0.64 1.57 3.64 -0.56 -0.05 116.57 121.93 1x38 h LYS 125 Ca 0.24 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1x38 h LYS 125 Cb 0.34 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1x38 h LYS 125 CO -0.00 0.20 0.30 0.00 -2.27 0.00 0.00 179.45 177.67 1x38 h ARG 126 N 0.31 0.92 -0.53 1.90 3.08 -0.48 -0.16 114.38 119.42 1x38 h ARG 126 Ca 0.20 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1x38 h ARG 126 Cb 0.19 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1x38 h ARG 126 CO -0.20 0.72 0.32 0.82 -1.07 0.00 0.00 179.97 180.56 1x38 h ILE 127 N 0.91 1.16 -0.63 2.04 2.04 -0.54 -0.77 117.51 121.72 1x38 h ILE 127 Ca 0.22 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1x38 h ILE 127 Cb 0.11 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 1x38 h ILE 127 CO -0.03 0.16 0.29 1.23 0.00 0.00 0.00 178.15 179.80 1x38 h GLY 128 N 0.71 0.91 0.95 5.37 0.00 0.07 0.15 103.07 111.24 1x38 h GLY 128 Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1x38 h GLY 128 CO -0.04 0.04 0.14 0.83 0.00 0.00 0.00 176.54 177.52 1x38 h GLU 129 N 0.51 0.35 -0.57 4.80 5.08 -0.68 -0.63 114.58 123.45 1x38 h GLU 129 Ca 0.31 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1x38 h GLU 129 Cb 0.32 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1x38 h GLU 129 CO -0.26 0.32 0.05 0.00 -1.00 0.00 0.00 179.01 178.12 1x38 h ALA 130 N 1.02 0.76 -0.44 3.43 0.00 -0.80 -2.81 119.26 120.41 1x38 h ALA 130 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1x38 h ALA 130 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1x38 h ALA 130 CO -0.01 0.55 0.24 1.15 0.00 0.00 0.00 179.25 181.18 1x38 h THR 131 N 0.86 1.16 -0.73 0.00 2.02 -0.51 -1.74 112.91 113.97 1x38 h THR 131 Ca 0.17 -0.41 0.10 0.00 0.77 0.00 0.00 66.41 67.04 1x38 h THR 131 Cb 0.48 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.45 1x38 h THR 131 CO 0.02 0.17 0.37 0.00 0.37 0.00 0.00 175.52 176.44 1x38 h ALA 132 N 1.09 1.01 -0.45 6.16 0.00 -0.98 0.78 119.26 126.87 1x38 h ALA 132 Ca 0.15 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1x38 h ALA 132 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1x38 h ALA 132 CO -0.02 -0.04 0.09 -0.07 0.00 0.00 0.00 179.25 179.20 1x38 h LEU 133 N 0.61 0.70 -0.83 0.00 3.38 -1.21 0.18 115.31 118.14 1x38 h LEU 133 Ca 0.36 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1x38 h LEU 133 Cb 0.39 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1x38 h LEU 133 CO -0.28 0.77 -0.53 -0.33 0.09 0.00 0.00 178.44 178.16 1x38 h GLU 134 N 0.61 0.14 -0.15 1.13 5.08 -0.77 0.79 114.58 121.41 1x38 h GLU 134 Ca 0.14 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1x38 h GLU 134 Cb 0.35 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1x38 h GLU 134 CO 0.01 0.64 -0.05 0.28 -1.00 0.00 0.00 179.01 178.88 1x38 h VAL 135 N 0.11 1.30 0.00 3.13 2.07 -0.68 -3.00 116.25 119.18 1x38 h VAL 135 Ca -0.00 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1x38 h VAL 135 Cb 0.98 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1x38 h VAL 135 CO 0.08 0.31 -0.16 0.03 0.02 0.00 0.00 177.57 177.85 1x38 h ARG 136 N -0.01 0.00 -0.35 1.57 2.47 -0.80 -1.27 114.38 115.99 1x38 h ARG 136 Ca 0.04 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.85 1x38 h ARG 136 Cb 0.50 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 1x38 h ARG 136 CO 0.02 0.16 0.25 0.00 0.56 0.00 0.00 179.97 180.95 1x38 h ALA 137 N 1.84 2.26 -0.57 0.04 0.00 -0.69 -1.19 119.26 120.95 1x38 h ALA 137 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x38 h ALA 137 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1x38 h ALA 137 CO 0.02 -0.35 0.00 0.25 0.00 0.00 0.00 179.25 179.17 1x38 n THR 138 N -4.45 0.75 -0.85 0.00 -2.24 -0.50 -4.06 114.28 102.92 1x38 n THR 138 Ca 0.05 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1x38 n THR 138 Cb 0.39 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1x38 n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x38 n GLY 139 N 1.56 0.84 3.84 3.38 0.00 -0.45 -2.98 105.19 111.37 1x38 n GLY 139 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1x38 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x38 s ILE 140 N -3.27 4.92 -1.32 -0.61 1.01 -1.05 -4.77 121.20 116.12 1x38 s ILE 140 Ca 0.00 0.88 0.11 0.00 0.00 0.00 0.00 60.65 61.63 1x38 s ILE 140 Cb 0.00 -3.75 0.10 0.00 0.01 0.00 0.00 42.46 38.81 1x38 s ILE 140 CO 0.00 0.45 0.86 0.00 0.00 0.00 0.00 174.94 176.25 1x38 n GLN 141 N 1.41 0.61 -3.66 2.79 3.00 -1.16 -3.64 117.38 116.73 1x38 n GLN 141 Ca -0.10 -1.19 -0.09 0.00 -0.01 0.00 0.00 57.00 55.61 1x38 n GLN 141 Cb 0.52 -1.21 -0.10 0.00 0.00 0.00 0.00 30.24 29.45 1x38 n GLN 141 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1x38 s TYR 142 N -0.90 -0.75 -0.12 1.08 6.04 -1.09 -1.00 117.35 120.61 1x38 s TYR 142 Ca 0.13 1.46 -0.00 0.00 0.04 0.00 0.00 57.07 58.70 1x38 s TYR 142 Cb 0.09 0.28 -0.02 0.00 -1.04 0.00 0.00 41.96 41.27 1x38 s TYR 142 CO 0.13 -0.45 -0.10 0.00 -1.54 0.00 0.00 175.55 173.59 1x38 s ALA 143 N 2.42 2.76 -1.45 3.97 0.00 0.05 -1.69 121.76 127.82 1x38 s ALA 143 Ca -0.03 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 1x38 s ALA 143 Cb -0.11 -1.26 0.05 0.00 0.00 0.00 0.00 23.12 21.79 1x38 s ALA 143 CO -0.13 0.32 2.29 1.19 0.00 0.00 0.00 175.76 179.44 1x38 n PHE 144 N 3.21 3.17 -3.51 0.00 0.99 -0.17 -3.14 117.46 118.02 1x38 n PHE 144 Ca -0.18 -2.95 -0.16 0.00 -0.00 0.00 0.00 57.45 54.16 1x38 n PHE 144 Cb 0.53 -2.39 -0.05 0.00 -1.00 0.00 0.00 39.48 36.57 1x38 n PHE 144 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x38 s ALA 145 N 2.22 -1.76 0.29 4.37 0.00 -1.15 -4.67 121.76 121.06 1x38 s ALA 145 Ca 0.50 1.20 -0.14 0.00 0.00 0.00 0.00 51.96 53.51 1x38 s ALA 145 Cb 0.14 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.26 1x38 s ALA 145 CO -0.07 -0.44 0.70 -1.25 0.00 0.00 0.00 175.76 174.70 1x38 s PRO 146 N -1.69 3.99 -0.32 0.00 0.04 -0.95 -0.30 135.00 135.77 1x38 s PRO 146 Ca -0.07 0.62 -0.29 0.00 0.04 0.00 0.00 61.00 61.29 1x38 s PRO 146 Cb -0.00 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 1x38 s PRO 146 CO 0.04 0.22 1.54 0.00 0.04 0.00 0.00 177.00 178.84 1x38 n ILE 148 N 6.80 2.78 -1.70 0.00 -5.35 0.62 -4.66 119.36 117.84 1x38 n ILE 148 Ca 0.18 -2.23 -0.40 0.00 -0.27 0.00 0.00 62.75 60.04 1x38 n ILE 148 Cb 0.47 -0.36 0.03 0.00 -1.74 0.00 0.00 39.64 38.03 1x38 n ILE 148 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x38 n ALA 149 N -0.90 1.25 -3.58 -1.28 0.00 -1.23 -4.92 120.51 109.84 1x38 n ALA 149 Ca 0.41 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.64 1x38 n ALA 149 Cb 1.27 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.37 1x38 n ALA 149 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x38 s VAL 150 N -1.27 4.23 -0.19 0.00 1.01 -1.26 -4.31 120.40 118.62 1x38 s VAL 150 Ca 0.66 -2.25 -0.29 0.00 0.00 0.00 0.00 61.98 60.10 1x38 s VAL 150 Cb -0.47 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1x38 s VAL 150 CO 0.54 -0.84 1.55 0.00 0.00 0.00 0.00 175.10 176.35 1x38 n ARG 152 N 7.38 1.92 -3.34 0.00 5.12 0.12 -3.90 116.66 123.96 1x38 n ARG 152 Ca 0.17 -1.82 -0.02 0.00 -1.93 0.00 0.00 57.85 54.25 1x38 n ARG 152 Cb 0.45 -1.40 -0.05 0.00 -1.16 0.00 0.00 32.46 30.31 1x38 n ARG 152 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1x38 s ASP 153 N -1.53 -0.69 0.00 0.55 -1.08 -1.26 -4.48 116.67 108.18 1x38 s ASP 153 Ca 0.26 0.76 0.16 0.00 -0.52 0.00 0.00 52.55 53.21 1x38 s ASP 153 Cb 0.17 1.75 0.81 0.00 -1.46 0.00 0.00 42.92 44.19 1x38 s ASP 153 CO 0.25 -0.26 1.45 -0.81 0.52 0.00 0.00 175.17 176.32 1x38 n PRO 154 N 5.41 0.23 0.15 4.34 -0.04 -1.26 -1.80 135.00 142.03 1x38 n PRO 154 Ca -0.04 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1x38 n PRO 154 Cb 0.50 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 33.00 1x38 n PRO 154 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x38 n ARG 155 N -1.28 0.17 -2.08 0.54 1.74 -1.26 -4.71 116.66 109.78 1x38 n ARG 155 Ca 0.08 0.52 -0.42 0.00 -0.77 0.00 0.00 57.85 57.26 1x38 n ARG 155 Cb 0.12 -1.92 -0.03 0.00 -1.02 0.00 0.00 32.46 29.62 1x38 n ARG 155 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1x38 s TRP 156 N -3.43 3.16 -0.70 -1.55 -0.00 -0.74 -1.28 118.94 114.40 1x38 s TRP 156 Ca 0.01 0.87 0.12 0.00 -0.00 0.00 0.00 56.10 57.10 1x38 s TRP 156 Cb 0.08 -3.77 0.57 0.00 -0.00 0.00 0.00 33.47 30.35 1x38 s TRP 156 CO 0.31 -2.72 1.36 0.41 -0.00 0.00 0.00 176.95 176.31 1x38 n GLY 157 N 3.36 -0.79 0.73 5.86 0.00 -1.24 -2.01 105.19 111.11 1x38 n GLY 157 Ca 0.11 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1x38 n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x38 n ARG 158 N -1.81 2.89 -0.19 1.61 1.74 -1.26 -3.81 116.66 115.83 1x38 n ARG 158 Ca 0.00 -2.40 0.12 0.00 -0.77 0.00 0.00 57.85 54.80 1x38 n ARG 158 Cb 0.07 -1.52 0.43 0.00 -1.02 0.00 0.00 32.46 30.41 1x38 n ARG 158 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x38 h TYR 160 N 0.58 0.00 -0.00 0.00 -0.00 -1.80 -1.25 116.97 114.50 1x38 h TYR 160 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.09 1x38 h TYR 160 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.35 1x38 h TYR 160 CO -0.00 0.00 -0.08 0.39 -0.00 0.00 0.00 178.16 178.47 1x38 n GLU 161 N -2.98 0.74 -3.98 0.10 1.02 0.09 -1.34 120.64 114.29 1x38 n GLU 161 Ca -0.00 -0.22 -0.35 0.00 -0.02 0.00 0.00 57.16 56.57 1x38 n GLU 161 Cb 0.22 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.06 1x38 n GLU 161 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1x38 s SER 162 N -2.41 5.79 0.46 1.62 0.15 -0.47 -4.65 113.70 114.19 1x38 s SER 162 Ca 0.31 0.17 0.16 0.00 0.70 0.00 0.00 55.95 57.29 1x38 s SER 162 Cb 0.20 -1.95 1.07 0.00 -1.71 0.00 0.00 66.02 63.64 1x38 s SER 162 CO 0.45 0.23 2.01 1.88 1.20 0.00 0.00 173.24 179.01 1x38 h TYR 163 N 6.29 0.00 -1.53 3.44 -1.99 -1.75 -3.10 116.97 118.33 1x38 h TYR 163 Ca -0.42 0.00 0.19 0.00 2.00 0.00 0.00 58.73 60.50 1x38 h TYR 163 Cb 1.18 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 39.70 1x38 h TYR 163 CO 0.60 0.17 0.73 0.45 -0.00 0.00 0.00 178.16 180.11 1x38 s SER 164 N -6.88 -0.21 0.32 3.88 0.15 -1.26 -3.95 113.70 105.76 1x38 s SER 164 Ca -0.04 0.11 0.26 0.00 0.70 0.00 0.00 55.95 56.98 1x38 s SER 164 Cb 0.15 0.20 0.92 0.00 -1.71 0.00 0.00 66.02 65.58 1x38 s SER 164 CO 0.68 -0.28 1.77 1.05 1.20 0.00 0.00 173.24 177.66 1x38 h GLU 165 N 2.15 0.00 -5.06 5.44 4.11 -1.64 -3.27 114.58 116.31 1x38 h GLU 165 Ca -0.13 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.63 1x38 h GLU 165 Cb 1.18 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.26 1x38 h GLU 165 CO 0.26 0.00 -0.11 0.34 0.07 0.00 0.00 179.01 179.56 1x38 s ASP 166 N -4.87 6.24 0.49 3.06 -1.08 -1.26 -4.81 116.67 114.44 1x38 s ASP 166 Ca 0.06 -0.44 0.25 0.00 -0.52 0.00 0.00 52.55 51.90 1x38 s ASP 166 Cb 0.10 -2.25 1.30 0.00 -1.46 0.00 0.00 42.92 40.61 1x38 s ASP 166 CO 0.52 -0.58 1.88 0.08 0.52 0.00 0.00 175.17 177.59 1x38 h ARG 167 N 8.69 0.17 -0.86 4.34 -0.00 -1.83 -1.34 114.38 123.54 1x38 h ARG 167 Ca -0.27 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.70 1x38 h ARG 167 Cb 1.11 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.97 31.00 1x38 h ARG 167 CO 0.80 0.11 0.52 0.00 -0.00 0.00 0.00 179.97 181.41 1x38 h ARG 168 N 0.17 1.17 -0.23 0.08 3.08 -1.94 0.18 114.38 116.90 1x38 h ARG 168 Ca 0.43 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.30 1x38 h ARG 168 Cb 1.41 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 1x38 h ARG 168 CO -0.08 0.81 -0.16 0.82 -1.07 0.00 0.00 179.97 180.29 1x38 h ILE 169 N 1.19 1.31 -0.49 2.04 2.04 -1.65 -1.73 117.51 120.22 1x38 h ILE 169 Ca 0.31 -1.28 0.05 0.00 1.00 0.00 0.00 64.86 64.94 1x38 h ILE 169 Cb -0.06 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1x38 h ILE 169 CO -0.06 0.40 0.23 0.58 0.00 0.00 0.00 178.15 179.30 1x38 h VAL 170 N 0.21 0.93 -0.42 1.67 2.07 -1.23 -1.67 116.25 117.82 1x38 h VAL 170 Ca 0.04 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1x38 h VAL 170 Cb 0.69 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1x38 h VAL 170 CO 0.04 0.08 0.10 1.56 0.02 0.00 0.00 177.57 179.38 1x38 h GLN 171 N 0.46 0.24 -0.53 1.57 4.20 -0.59 -2.20 115.11 118.25 1x38 h GLN 171 Ca 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1x38 h GLN 171 Cb 0.15 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1x38 h GLN 171 CO -0.17 0.16 0.34 0.66 -0.67 0.00 0.00 178.83 179.15 1x38 h SER 172 N 0.24 0.62 0.22 1.46 4.64 -0.56 -2.54 113.55 117.63 1x38 h SER 172 Ca 0.20 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1x38 h SER 172 Cb 0.24 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1x38 h SER 172 CO -0.25 0.46 -0.00 0.23 -0.87 0.00 0.00 176.83 176.40 1x38 n MET 173 N -4.45 0.78 0.00 4.77 2.81 -0.70 -3.26 117.12 117.08 1x38 n MET 173 Ca 0.05 -0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.96 1x38 n MET 173 Cb 0.06 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.17 1x38 n MET 173 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1x38 n THR 174 N -1.11 1.24 0.25 2.03 -2.24 -0.96 -1.78 114.28 111.72 1x38 n THR 174 Ca 0.20 0.31 0.14 0.00 -2.27 0.00 0.00 64.05 62.44 1x38 n THR 174 Cb 0.16 -1.24 0.76 0.00 -2.10 0.00 0.00 70.33 67.91 1x38 n THR 174 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x38 h GLU 175 N 0.00 0.00 -0.86 -0.78 4.39 -1.79 -1.25 114.58 114.29 1x38 h GLU 175 Ca 0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1x38 h GLU 175 Cb 0.05 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.64 1x38 h GLU 175 CO 0.00 0.00 0.56 1.25 -1.16 0.00 0.00 179.01 179.66 1x38 h LEU 176 N 0.00 0.64 0.91 1.33 5.85 -1.57 -2.83 115.31 119.64 1x38 h LEU 176 Ca 0.00 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1x38 h LEU 176 Cb 0.31 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.26 1x38 h LEU 176 CO 0.00 0.34 -0.45 0.40 -0.34 0.00 0.00 178.44 178.39 1x38 h ILE 177 N 0.69 0.09 0.00 4.05 2.04 -1.49 0.27 117.51 123.16 1x38 h ILE 177 Ca 0.43 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.29 1x38 h ILE 177 Cb 0.66 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1x38 h ILE 177 CO -0.19 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.51 1x38 h PRO 178 N -1.24 0.00 0.14 2.37 0.13 -1.74 0.36 132.00 132.03 1x38 h PRO 178 Ca -0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1x38 h PRO 178 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1x38 h PRO 178 CO 0.20 0.00 -0.07 0.78 -0.23 0.00 0.00 178.00 178.68 1x38 h GLY 179 N 1.25 -0.20 0.99 1.56 0.00 -1.11 0.11 103.07 105.68 1x38 h GLY 179 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1x38 h GLY 179 CO 0.00 -0.07 0.07 1.41 0.00 0.00 0.00 176.54 177.95 1x38 h LEU 180 N -0.45 0.82 0.00 3.11 3.38 -0.43 -3.03 115.31 118.70 1x38 h LEU 180 Ca -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1x38 h LEU 180 Cb 0.36 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1x38 h LEU 180 CO 0.03 0.88 -2.00 0.00 0.09 0.00 0.00 178.44 177.44 1x38 n GLN 181 N -4.39 0.65 0.00 1.13 6.02 0.07 -1.47 117.38 119.39 1x38 n GLN 181 Ca 0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1x38 n GLN 181 Cb 0.27 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1x38 n GLN 181 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x38 n GLY 182 N 1.31 1.97 3.75 1.08 0.00 0.40 -0.49 105.19 113.21 1x38 n GLY 182 Ca -0.05 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1x38 n GLY 182 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x38 s ASP 183 N -0.17 7.00 0.54 1.61 1.01 -1.23 -4.49 116.67 120.94 1x38 s ASP 183 Ca 0.00 2.41 -0.18 0.00 0.71 0.00 0.00 52.55 55.48 1x38 s ASP 183 Cb 0.00 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 1x38 s ASP 183 CO 0.00 -0.40 1.06 0.68 0.21 0.00 0.00 175.17 176.72 1x38 s VAL 184 N -0.57 3.66 1.14 -1.27 -7.23 -1.26 -4.96 120.40 109.91 1x38 s VAL 184 Ca 0.51 0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 61.49 1x38 s VAL 184 Cb -0.35 -3.38 0.27 0.00 0.56 0.00 0.00 36.38 33.47 1x38 s VAL 184 CO 0.42 -0.31 1.04 -2.65 -0.31 0.00 0.00 175.10 173.29 1x38 n PRO 185 N -1.43 -2.18 -0.36 4.82 -0.02 -1.26 -4.93 135.00 129.64 1x38 n PRO 185 Ca 0.10 -0.60 -0.03 0.00 -2.02 0.00 0.00 63.50 60.95 1x38 n PRO 185 Cb 0.52 -2.20 0.10 0.00 -0.02 0.00 0.00 33.50 31.90 1x38 n PRO 185 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1x38 h LYS 186 N -2.58 1.30 0.00 -0.52 6.56 -2.05 -2.90 116.57 116.38 1x38 h LYS 186 Ca -0.59 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 58.89 1x38 h LYS 186 Cb 1.32 -0.28 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1x38 h LYS 186 CO 0.48 0.90 0.00 -0.40 -2.06 0.00 0.00 179.45 178.37 1x38 n ASP 187 N -4.36 0.00 -4.72 0.86 5.75 -1.26 -4.96 116.55 107.87 1x38 n ASP 187 Ca 0.11 0.04 -0.42 0.00 -0.01 0.00 0.00 54.79 54.50 1x38 n ASP 187 Cb 0.05 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 1x38 n ASP 187 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1x38 n PHE 188 N -1.29 2.72 -3.13 2.11 7.35 -1.10 -4.98 117.46 119.15 1x38 n PHE 188 Ca 0.08 0.07 -0.40 0.00 -0.76 0.00 0.00 57.45 56.44 1x38 n PHE 188 Cb 0.14 -2.66 -0.06 0.00 0.35 0.00 0.00 39.48 37.25 1x38 n PHE 188 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1x38 s THR 189 N 1.08 5.00 0.18 -2.13 2.01 -1.26 -5.03 115.64 115.49 1x38 s THR 189 Ca 0.75 1.12 -0.33 0.00 0.31 0.00 0.00 61.69 63.53 1x38 s THR 189 Cb -0.52 -3.92 -0.15 0.00 0.01 0.00 0.00 72.50 67.92 1x38 s THR 189 CO 0.34 0.06 1.33 -0.24 -0.69 0.00 0.00 174.62 175.41 1x38 n SER 190 N 5.51 2.08 0.00 3.53 2.88 -1.26 -1.96 113.62 124.41 1x38 n SER 190 Ca -0.01 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1x38 n SER 190 Cb 0.49 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 1x38 n SER 190 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x38 n GLY 191 N 2.36 2.68 3.77 0.46 0.00 0.07 -4.82 105.19 109.71 1x38 n GLY 191 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1x38 n GLY 191 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x38 s MET 192 N -0.92 4.05 0.55 1.61 1.00 -0.83 0.17 119.30 124.94 1x38 s MET 192 Ca 0.00 1.70 -0.16 0.00 0.00 0.00 0.00 55.69 57.23 1x38 s MET 192 Cb 0.00 -2.58 -0.06 0.00 0.00 0.00 0.00 34.83 32.19 1x38 s MET 192 CO 0.00 -0.28 1.02 -1.25 0.00 0.00 0.00 175.02 174.50 1x38 s PRO 193 N -2.43 3.69 -0.15 2.03 0.04 -1.26 -4.23 135.00 132.68 1x38 s PRO 193 Ca 0.58 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 1x38 s PRO 193 Cb -0.27 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.23 1x38 s PRO 193 CO 0.34 -0.50 0.38 0.12 0.04 0.00 0.00 177.00 177.38 1x38 s PHE 194 N -2.58 -0.52 -0.06 0.56 5.36 -0.58 -4.98 117.98 115.17 1x38 s PHE 194 Ca 0.61 1.15 -0.03 0.00 -0.96 0.00 0.00 56.93 57.70 1x38 s PHE 194 Cb -0.12 0.21 0.03 0.00 -0.34 0.00 0.00 43.02 42.80 1x38 s PHE 194 CO 0.34 -0.29 0.13 0.08 -1.46 0.00 0.00 175.22 174.03 1x38 s VAL 195 N 1.06 -0.04 0.40 3.12 1.01 -1.26 -4.58 120.40 120.10 1x38 s VAL 195 Ca -0.07 0.16 0.16 0.00 0.00 0.00 0.00 61.98 62.23 1x38 s VAL 195 Cb -0.07 -0.22 0.16 0.00 0.00 0.00 0.00 36.38 36.25 1x38 s VAL 195 CO -0.09 0.06 1.92 0.00 0.00 0.00 0.00 175.10 177.00 1x38 h ALA 196 N 7.06 1.46 0.00 5.51 0.00 -1.11 -3.39 119.26 128.80 1x38 h ALA 196 Ca -0.41 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1x38 h ALA 196 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1x38 h ALA 196 CO 0.43 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.42 1x38 n GLY 197 N -0.67 -0.10 0.12 0.00 0.00 -1.26 -4.99 105.19 98.29 1x38 n GLY 197 Ca -0.02 -1.32 0.11 0.00 0.00 0.00 0.00 46.02 44.79 1x38 n GLY 197 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x38 n LYS 198 N 0.00 0.16 -0.26 1.61 2.85 -1.26 -1.78 118.16 119.48 1x38 n LYS 198 Ca 0.00 0.45 0.12 0.00 -1.05 0.00 0.00 58.31 57.83 1x38 n LYS 198 Cb 0.00 -1.84 0.26 0.00 -0.65 0.00 0.00 35.03 32.79 1x38 n LYS 198 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x38 n ASN 199 N -2.15 3.67 -4.53 -5.58 5.03 -1.26 -4.93 115.26 105.51 1x38 n ASN 199 Ca 0.01 -2.00 -0.26 0.00 0.87 0.00 0.00 54.58 53.21 1x38 n ASN 199 Cb 0.18 -0.34 -0.10 0.00 -1.02 0.00 0.00 39.78 38.49 1x38 n ASN 199 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1x38 s LYS 200 N -1.31 1.85 0.14 3.52 -0.14 -0.73 -4.40 119.74 118.66 1x38 s LYS 200 Ca 0.43 -2.06 0.08 0.00 -1.36 0.00 0.00 55.97 53.06 1x38 s LYS 200 Cb 0.24 -1.25 -0.04 0.00 -1.68 0.00 0.00 37.83 35.10 1x38 s LYS 200 CO 0.33 -0.16 -0.17 0.14 -0.76 0.00 0.00 175.35 174.73 1x38 s VAL 201 N -3.00 1.64 0.32 3.17 -7.23 -0.54 -4.82 120.40 109.93 1x38 s VAL 201 Ca 0.33 -1.81 -0.29 0.00 -1.81 0.00 0.00 61.98 58.40 1x38 s VAL 201 Cb 0.08 -1.71 -0.10 0.00 0.56 0.00 0.00 36.38 35.22 1x38 s VAL 201 CO 0.16 -0.33 1.33 0.00 -0.31 0.00 0.00 175.10 175.95 1x38 s ALA 202 N -2.00 3.52 0.52 1.32 0.00 -0.17 -3.72 121.76 121.23 1x38 s ALA 202 Ca 0.12 1.27 0.08 0.00 0.00 0.00 0.00 51.96 53.43 1x38 s ALA 202 Cb -0.06 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1x38 s ALA 202 CO 0.05 -0.66 0.55 0.00 0.00 0.00 0.00 175.76 175.69 1x38 s ALA 203 N -0.96 4.47 -0.25 0.00 0.00 -1.26 -0.77 121.76 122.99 1x38 s ALA 203 Ca 0.51 -1.72 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 1x38 s ALA 203 Cb -0.40 -1.10 0.14 0.00 0.00 0.00 0.00 23.12 21.76 1x38 s ALA 203 CO 0.52 -0.54 0.38 0.00 0.00 0.00 0.00 175.76 176.12 1x38 s ALA 205 N 2.54 3.53 0.06 0.00 0.00 -0.67 -2.24 121.76 124.99 1x38 s ALA 205 Ca 0.12 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.52 1x38 s ALA 205 Cb -0.15 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 1x38 s ALA 205 CO -0.18 -0.85 0.11 -1.59 0.00 0.00 0.00 175.76 173.24 1x38 s LYS 206 N 2.55 0.71 -0.18 0.00 -2.85 -0.77 -1.87 119.74 117.33 1x38 s LYS 206 Ca 0.53 -0.97 -0.03 0.00 -1.00 0.00 0.00 55.97 54.50 1x38 s LYS 206 Cb -0.22 0.28 -0.02 0.00 -2.06 0.00 0.00 37.83 35.81 1x38 s LYS 206 CO 0.18 -0.19 -0.05 -1.01 0.10 0.00 0.00 175.35 174.38 1x38 s HIS 207 N -3.53 2.97 -0.16 1.78 0.09 -1.26 -0.28 115.29 114.90 1x38 s HIS 207 Ca 0.03 -0.56 -0.29 0.00 -0.00 0.00 0.00 55.06 54.23 1x38 s HIS 207 Cb 0.04 -2.00 -0.01 0.00 -0.00 0.00 0.00 32.58 30.61 1x38 s HIS 207 CO -0.09 -0.24 1.22 0.12 -0.00 0.00 0.00 174.74 175.75 1x38 s PHE 208 N 0.77 2.96 0.01 1.40 5.36 0.36 -4.03 117.98 124.82 1x38 s PHE 208 Ca -0.02 1.10 -0.06 0.00 -0.96 0.00 0.00 56.93 56.98 1x38 s PHE 208 Cb -0.15 -3.46 -0.00 0.00 -0.34 0.00 0.00 43.02 39.07 1x38 s PHE 208 CO 0.02 -1.48 0.12 0.54 -1.46 0.00 0.00 175.22 172.95 1x38 s VAL 209 N 3.26 0.10 0.00 3.12 0.11 -1.26 -0.79 120.40 124.94 1x38 s VAL 209 Ca 0.53 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1x38 s VAL 209 Cb -0.21 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1x38 s VAL 209 CO 0.15 -0.44 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 1x38 n GLY 210 N 1.31 0.54 0.41 6.54 0.00 -1.26 -4.87 105.19 107.86 1x38 n GLY 210 Ca -0.22 -0.62 0.23 0.00 0.00 0.00 0.00 46.02 45.41 1x38 n GLY 210 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1x38 h ASP 211 N 0.00 0.07 -0.18 1.61 2.03 -1.94 -1.27 116.42 116.74 1x38 h ASP 211 Ca 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1x38 h ASP 211 Cb 0.00 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 1x38 h ASP 211 CO 0.00 0.03 0.00 0.61 -1.03 0.00 0.00 179.24 178.85 1x38 n GLY 212 N -1.65 0.14 0.54 7.15 0.00 -1.26 -4.18 105.19 105.93 1x38 n GLY 212 Ca 0.14 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1x38 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x38 n GLY 213 N 1.04 4.18 3.80 -0.02 0.00 -0.48 -0.70 105.19 113.01 1x38 n GLY 213 Ca 0.14 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1x38 n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x38 s THR 214 N -2.60 3.76 0.02 2.61 -4.23 -1.26 -4.25 115.64 109.69 1x38 s THR 214 Ca 0.35 1.06 -0.35 0.00 -1.18 0.00 0.00 61.69 61.57 1x38 s THR 214 Cb 0.28 -3.43 -0.14 0.00 1.34 0.00 0.00 72.50 70.55 1x38 s THR 214 CO 0.07 -0.27 1.68 0.52 -0.54 0.00 0.00 174.62 176.08 1x38 n VAL 215 N -1.12 0.25 -1.69 2.29 0.31 -0.19 -1.31 118.33 116.87 1x38 n VAL 215 Ca 0.09 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.22 1x38 n VAL 215 Cb 0.52 -1.55 -0.05 0.00 -0.91 0.00 0.00 33.84 31.85 1x38 n VAL 215 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1x38 n ASP 216 N 4.71 -4.34 -1.48 4.52 10.43 -1.26 -1.45 116.55 127.69 1x38 n ASP 216 Ca 0.20 0.33 -0.17 0.00 2.57 0.00 0.00 54.79 57.72 1x38 n ASP 216 Cb 0.26 -3.88 -0.06 0.00 1.84 0.00 0.00 41.12 39.29 1x38 n ASP 216 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1x38 n GLY 217 N -0.44 1.16 3.66 0.44 0.00 -0.43 -4.57 105.19 105.01 1x38 n GLY 217 Ca -0.17 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1x38 n GLY 217 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x38 s ILE 218 N -2.69 3.90 0.29 -0.61 1.01 -0.53 -3.25 121.20 119.33 1x38 s ILE 218 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.46 1x38 s ILE 218 Cb 0.00 -3.71 -0.11 0.00 0.01 0.00 0.00 42.46 38.65 1x38 s ILE 218 CO 0.00 -0.09 1.51 0.21 0.00 0.00 0.00 174.94 176.57 1x38 s ASN 219 N 2.65 6.49 0.00 3.58 2.47 -1.26 -2.31 114.94 126.56 1x38 s ASN 219 Ca 0.64 2.84 0.00 0.00 0.42 0.00 0.00 52.86 56.77 1x38 s ASN 219 Cb -0.28 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 36.89 1x38 s ASN 219 CO 0.23 -0.81 0.00 -0.62 -3.72 0.00 0.00 177.10 172.18 1x38 n GLU 220 N 1.96 -0.74 0.00 0.43 1.02 -1.26 -4.99 120.64 117.06 1x38 n GLU 220 Ca 0.06 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1x38 n GLU 220 Cb 0.39 -3.78 0.00 0.00 -0.02 0.00 0.00 31.44 28.03 1x38 n GLU 220 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1x38 n ASN 221 N -0.37 0.00 -4.73 1.62 2.85 -0.98 -4.03 115.26 109.62 1x38 n ASN 221 Ca 0.00 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.12 1x38 n ASN 221 Cb 0.19 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.13 1x38 n ASN 221 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1x38 s ASN 222 N -1.00 6.23 -0.42 1.20 2.47 -1.26 -1.15 114.94 121.01 1x38 s ASN 222 Ca 0.00 0.26 -0.16 0.00 0.42 0.00 0.00 52.86 53.37 1x38 s ASN 222 Cb 0.00 -2.10 0.02 0.00 -1.45 0.00 0.00 41.25 37.72 1x38 s ASN 222 CO 0.00 0.17 0.39 -0.89 -3.72 0.00 0.00 177.10 173.05 1x38 s THR 223 N 0.38 5.15 -0.49 -5.21 2.01 0.48 -1.02 115.64 116.94 1x38 s THR 223 Ca 0.09 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 1x38 s THR 223 Cb -0.11 -4.00 0.11 0.00 0.01 0.00 0.00 72.50 68.51 1x38 s THR 223 CO -0.01 -0.39 0.40 -0.63 -0.69 0.00 0.00 174.62 173.30 1x38 s ILE 224 N 1.96 4.78 -0.16 1.82 1.01 -1.26 -0.94 121.20 128.41 1x38 s ILE 224 Ca 0.09 -1.50 -0.27 0.00 0.00 0.00 0.00 60.65 58.97 1x38 s ILE 224 Cb -0.18 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.32 1x38 s ILE 224 CO 0.12 -0.75 0.68 -0.51 0.00 0.00 0.00 174.94 174.49 1x38 s ILE 225 N 1.51 0.00 0.94 2.92 2.07 -1.26 -5.02 121.20 122.36 1x38 s ILE 225 Ca 0.04 -0.01 -0.12 0.00 -1.41 0.00 0.00 60.65 59.15 1x38 s ILE 225 Cb -0.27 -0.98 0.15 0.00 0.13 0.00 0.00 42.46 41.50 1x38 s ILE 225 CO 0.02 -0.01 1.09 0.54 -1.91 0.00 0.00 174.94 174.68 1x38 s ASN 226 N -0.41 3.10 0.24 4.50 6.03 -1.26 -4.75 114.94 122.38 1x38 s ASN 226 Ca -0.06 1.42 -0.06 0.00 -1.03 0.00 0.00 52.86 53.13 1x38 s ASN 226 Cb -0.03 -2.09 0.29 0.00 -3.03 0.00 0.00 41.25 36.39 1x38 s ASN 226 CO 0.05 -2.86 1.90 -0.09 -2.03 0.00 0.00 177.10 174.06 1x38 h ARG 227 N -1.71 1.15 -0.50 3.55 2.43 -2.02 -1.01 114.38 116.28 1x38 h ARG 227 Ca -0.51 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 58.67 1x38 h ARG 227 Cb 1.30 -0.26 -0.07 0.00 -0.42 0.00 0.00 29.97 30.52 1x38 h ARG 227 CO 0.55 0.76 0.12 1.49 -1.51 0.00 0.00 179.97 181.38 1x38 h GLU 228 N 1.18 0.26 -0.45 0.20 4.81 -1.98 0.60 114.58 119.20 1x38 h GLU 228 Ca 0.37 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.48 1x38 h GLU 228 Cb -0.02 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1x38 h GLU 228 CO -0.11 0.17 -0.12 0.78 -0.73 0.00 0.00 179.01 178.99 1x38 h GLY 229 N 0.27 0.95 0.58 1.92 0.00 -1.76 0.63 103.07 105.66 1x38 h GLY 229 Ca 0.25 -0.80 0.05 0.00 0.00 0.00 0.00 47.33 46.83 1x38 h GLY 229 CO -0.30 0.73 0.03 -2.00 0.00 0.00 0.00 176.54 174.99 1x38 h LEU 230 N 0.71 -0.06 -0.81 3.11 7.12 -0.88 -0.80 115.31 123.71 1x38 h LEU 230 Ca 0.11 0.06 -0.09 0.00 0.13 0.00 0.00 57.88 58.09 1x38 h LEU 230 Cb 0.67 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.88 1x38 h LEU 230 CO 0.05 0.00 -0.41 0.24 -0.13 0.00 0.00 178.44 178.19 1x38 h MET 231 N 0.12 0.00 0.00 1.25 2.86 -0.68 -1.01 114.93 117.47 1x38 h MET 231 Ca 0.14 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.62 1x38 h MET 231 Cb 0.17 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1x38 h MET 231 CO -0.22 0.41 -1.23 -0.97 1.06 0.00 0.00 176.91 175.96 1x38 h ASN 232 N 0.00 0.00 0.00 1.22 -1.24 -0.62 -3.34 115.58 111.60 1x38 h ASN 232 Ca -0.00 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 1x38 h ASN 232 Cb 0.98 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.01 1x38 h ASN 232 CO 0.05 0.59 -1.14 -0.38 -1.29 0.00 0.00 177.43 175.27 1x38 n ILE 233 N -2.98 0.99 0.05 2.57 5.41 -0.33 -4.78 119.36 120.30 1x38 n ILE 233 Ca -0.07 0.03 0.04 0.00 1.00 0.00 0.00 62.75 63.76 1x38 n ILE 233 Cb 0.83 -1.79 -0.07 0.00 -0.71 0.00 0.00 39.64 37.90 1x38 n ILE 233 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1x38 n HIS 234 N -3.73 0.85 -0.03 1.39 8.25 -0.46 -4.40 115.22 117.09 1x38 n HIS 234 Ca -0.16 0.27 -0.17 0.00 -0.26 0.00 0.00 57.72 57.39 1x38 n HIS 234 Cb 0.48 -0.99 -0.14 0.00 1.12 0.00 0.00 29.99 30.46 1x38 n HIS 234 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1x38 n MET 235 N -2.75 0.71 -0.30 -0.41 0.00 -0.77 -4.55 117.12 109.05 1x38 n MET 235 Ca -0.07 0.23 0.13 0.00 0.00 0.00 0.00 57.70 58.00 1x38 n MET 235 Cb 0.73 -1.69 0.30 0.00 0.00 0.00 0.00 33.22 32.56 1x38 n MET 235 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1x38 h PRO 236 N 0.04 0.28 0.00 2.12 0.11 -1.77 0.70 132.00 133.49 1x38 h PRO 236 Ca -0.42 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1x38 h PRO 236 Cb 2.03 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 33.07 1x38 h PRO 236 CO 0.06 0.19 -0.09 0.00 -0.21 0.00 0.00 178.00 177.94 1x38 h ALA 237 N 1.75 1.29 -0.29 -0.75 0.00 -1.87 -1.57 119.26 117.81 1x38 h ALA 237 Ca 0.55 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 1x38 h ALA 237 Cb 1.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1x38 h ALA 237 CO -0.59 0.12 -0.12 1.88 0.00 0.00 0.00 179.25 180.53 1x38 h TYR 238 N 0.00 0.52 -0.35 0.00 0.05 -1.14 -1.00 116.97 115.04 1x38 h TYR 238 Ca -0.00 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.62 1x38 h TYR 238 Cb 0.28 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1x38 h TYR 238 CO 0.00 0.59 -0.09 -0.22 -1.05 0.00 0.00 178.16 177.39 1x38 h LYS 239 N 0.45 0.68 -0.97 4.88 1.63 -1.33 -0.81 116.57 121.10 1x38 h LYS 239 Ca 0.09 -0.27 0.07 0.00 -0.85 0.00 0.00 60.65 59.69 1x38 h LYS 239 Cb 0.48 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.01 1x38 h LYS 239 CO 0.03 0.85 0.62 -0.91 -3.45 0.00 0.00 179.45 176.59 1x38 h ASN 240 N 0.47 0.99 -0.65 4.20 2.35 -1.37 -1.08 115.58 120.49 1x38 h ASN 240 Ca 0.09 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1x38 h ASN 240 Cb 0.60 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 1x38 h ASN 240 CO 0.04 0.63 0.39 0.00 -1.65 0.00 0.00 177.43 176.84 1x38 h ALA 241 N 1.45 0.83 -0.51 -0.83 0.00 -0.76 -1.65 119.26 117.79 1x38 h ALA 241 Ca 0.42 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1x38 h ALA 241 Cb 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1x38 h ALA 241 CO -0.18 0.31 0.31 0.52 0.00 0.00 0.00 179.25 180.21 1x38 h MET 242 N 0.88 0.60 0.00 0.00 2.86 -0.61 -1.59 114.93 117.08 1x38 h MET 242 Ca 0.23 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1x38 h MET 242 Cb -0.03 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.50 1x38 h MET 242 CO -0.04 0.40 -0.07 -0.44 1.06 0.00 0.00 176.91 177.82 1x38 h ASP 243 N 0.62 0.00 -0.50 1.22 3.32 -0.71 0.41 116.42 120.78 1x38 h ASP 243 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1x38 h ASP 243 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1x38 h ASP 243 CO -0.08 0.07 0.00 0.29 -1.72 0.00 0.00 179.24 177.80 1x38 n LYS 244 N -4.30 2.50 -2.49 3.56 5.02 -0.67 -4.79 118.16 116.99 1x38 n LYS 244 Ca -0.03 -2.30 -0.10 0.00 -2.02 0.00 0.00 58.31 53.86 1x38 n LYS 244 Cb 0.15 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.65 1x38 n LYS 244 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x38 n GLY 245 N 1.53 0.08 3.65 0.72 0.00 -0.80 -4.64 105.19 105.73 1x38 n GLY 245 Ca 0.21 -0.39 -0.46 0.00 0.00 0.00 0.00 46.02 45.37 1x38 n GLY 245 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x38 n VAL 246 N -3.88 0.61 0.08 1.61 3.14 -0.65 -1.53 118.33 117.71 1x38 n VAL 246 Ca -0.07 -0.15 -0.09 0.00 -2.96 0.00 0.00 64.34 61.07 1x38 n VAL 246 Cb 0.56 -1.34 -0.05 0.00 -1.06 0.00 0.00 33.84 31.95 1x38 n VAL 246 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1x38 h SER 247 N 4.57 0.19 -5.23 6.55 0.02 -1.81 -3.40 113.55 114.43 1x38 h SER 247 Ca -0.45 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.21 1x38 h SER 247 Cb 1.29 -0.06 -0.15 0.00 0.14 0.00 0.00 62.40 63.62 1x38 h SER 247 CO 0.78 1.04 -0.63 0.42 -1.14 0.00 0.00 176.83 177.31 1x38 s THR 248 N -2.99 0.21 -0.04 -2.27 -4.23 -1.04 -2.37 115.64 102.91 1x38 s THR 248 Ca -0.02 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1x38 s THR 248 Cb 0.10 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.46 1x38 s THR 248 CO 0.83 -0.93 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.23 1x38 s VAL 249 N -3.91 0.62 -0.15 2.29 1.01 -0.83 -1.67 120.40 117.75 1x38 s VAL 249 Ca 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1x38 s VAL 249 Cb 0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1x38 s VAL 249 CO -0.10 0.23 0.12 -0.32 0.00 0.00 0.00 175.10 175.03 1x38 s MET 250 N 0.71 3.71 0.32 2.72 0.00 -0.78 -0.75 119.30 125.23 1x38 s MET 250 Ca -0.10 -0.20 -0.25 0.00 0.00 0.00 0.00 55.69 55.14 1x38 s MET 250 Cb -0.13 -3.24 -0.10 0.00 0.00 0.00 0.00 34.83 31.36 1x38 s MET 250 CO 0.01 0.56 0.92 0.42 0.00 0.00 0.00 175.02 176.93 1x38 s ILE 251 N -0.41 4.26 0.35 10.11 -1.09 -0.26 -0.49 121.20 133.67 1x38 s ILE 251 Ca 0.11 1.75 -0.25 0.00 -2.23 0.00 0.00 60.65 60.03 1x38 s ILE 251 Cb -0.12 -3.97 -0.10 0.00 -1.58 0.00 0.00 42.46 36.70 1x38 s ILE 251 CO 0.01 0.12 0.98 -0.55 -1.23 0.00 0.00 174.94 174.28 1x38 s SER 252 N -1.66 7.14 0.55 3.58 0.15 0.03 -3.62 113.70 119.88 1x38 s SER 252 Ca 0.50 1.90 0.25 0.00 0.70 0.00 0.00 55.95 59.30 1x38 s SER 252 Cb -0.18 -2.58 1.57 0.00 -1.71 0.00 0.00 66.02 63.13 1x38 s SER 252 CO 0.23 -0.22 2.19 1.88 1.20 0.00 0.00 173.24 178.52 1x38 h TYR 253 N 2.91 0.00 -3.69 3.44 0.99 -1.91 -3.36 116.97 115.35 1x38 h TYR 253 Ca -0.47 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 59.81 1x38 h TYR 253 Cb 1.20 0.00 0.17 0.00 1.00 0.00 0.00 36.73 39.10 1x38 h TYR 253 CO 0.60 0.03 0.14 -1.54 -0.00 0.00 0.00 178.16 177.39 1x38 s SER 254 N -6.48 2.02 0.22 3.88 1.04 -1.26 -4.68 113.70 108.44 1x38 s SER 254 Ca -0.05 1.19 0.09 0.00 0.48 0.00 0.00 55.95 57.66 1x38 s SER 254 Cb 0.15 -1.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.37 1x38 s SER 254 CO 0.60 -3.51 -0.04 -0.44 0.98 0.00 0.00 173.24 170.83 1x38 s SER 255 N -3.28 4.46 -0.21 7.02 0.01 -0.30 -1.68 113.70 119.73 1x38 s SER 255 Ca 0.66 -0.58 -0.00 0.00 1.31 0.00 0.00 55.95 57.35 1x38 s SER 255 Cb -0.20 -0.82 0.02 0.00 0.21 0.00 0.00 66.02 65.23 1x38 s SER 255 CO 0.59 0.06 -0.14 0.86 0.41 0.00 0.00 173.24 175.02 1x38 s TRP 256 N -1.98 2.92 -1.54 2.43 -0.00 0.07 -0.39 118.94 120.46 1x38 s TRP 256 Ca 0.28 -1.58 -0.07 0.00 -0.00 0.00 0.00 56.10 54.73 1x38 s TRP 256 Cb -0.08 -1.98 0.06 0.00 -0.00 0.00 0.00 33.47 31.47 1x38 s TRP 256 CO 0.18 -0.76 0.48 0.09 -0.00 0.00 0.00 176.95 176.94 1x38 n ASN 257 N 4.64 -1.16 0.00 5.86 5.03 -0.12 -1.73 115.26 127.79 1x38 n ASN 257 Ca -0.19 -1.06 0.00 0.00 0.87 0.00 0.00 54.58 54.20 1x38 n ASN 257 Cb 0.49 -2.69 0.00 0.00 -1.02 0.00 0.00 39.78 36.56 1x38 n ASN 257 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1x38 n GLY 258 N -1.86 1.52 3.64 7.41 0.00 -1.26 -5.03 105.19 109.62 1x38 n GLY 258 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1x38 n GLY 258 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x38 s VAL 259 N -3.30 5.30 0.22 1.61 1.01 -0.70 -5.03 120.40 119.51 1x38 s VAL 259 Ca 0.00 0.16 -0.32 0.00 0.00 0.00 0.00 61.98 61.82 1x38 s VAL 259 Cb 0.00 -3.47 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 1x38 s VAL 259 CO 0.00 0.34 1.71 -0.54 0.00 0.00 0.00 175.10 176.61 1x38 s LYS 260 N 1.12 4.12 0.28 2.72 -0.14 -1.26 -0.75 119.74 125.82 1x38 s LYS 260 Ca 0.07 2.62 -0.00 0.00 -1.36 0.00 0.00 55.97 57.30 1x38 s LYS 260 Cb -0.14 -3.06 0.50 0.00 -1.68 0.00 0.00 37.83 33.46 1x38 s LYS 260 CO 0.05 -0.74 1.85 0.52 -0.76 0.00 0.00 175.35 176.27 1x38 h MET 261 N 6.47 1.02 0.00 1.68 2.86 -1.53 -1.40 114.93 124.03 1x38 h MET 261 Ca -0.44 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1x38 h MET 261 Cb 1.20 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1x38 h MET 261 CO 0.93 0.67 0.00 0.72 1.06 0.00 0.00 176.91 180.29 1x38 n HIS 262 N -4.59 0.43 -0.20 -0.22 8.25 -1.26 -2.00 115.22 115.64 1x38 n HIS 262 Ca 0.18 0.20 0.03 0.00 -0.26 0.00 0.00 57.72 57.87 1x38 n HIS 262 Cb 0.30 -0.82 0.07 0.00 1.12 0.00 0.00 29.99 30.67 1x38 n HIS 262 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x38 n ALA 263 N -1.65 2.13 -3.15 -1.41 0.00 -0.56 -3.93 120.51 111.93 1x38 n ALA 263 Ca 0.01 -1.26 -0.45 0.00 0.00 0.00 0.00 53.44 51.74 1x38 n ALA 263 Cb 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 1x38 n ALA 263 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x38 s ASN 264 N -1.21 6.56 0.23 0.00 3.84 -0.85 -4.78 114.94 118.72 1x38 s ASN 264 Ca 0.12 -2.15 -0.02 0.00 0.21 0.00 0.00 52.86 51.01 1x38 s ASN 264 Cb 0.08 -2.29 0.23 0.00 -0.55 0.00 0.00 41.25 38.72 1x38 s ASN 264 CO 0.06 -0.87 1.63 -0.61 -2.79 0.00 0.00 177.10 174.52 1x38 h GLN 265 N 8.49 0.67 -0.48 0.43 4.15 -1.89 -1.16 115.11 125.32 1x38 h GLN 265 Ca 0.01 -0.28 0.06 0.00 0.77 0.00 0.00 58.65 59.20 1x38 h GLN 265 Cb 1.05 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.67 1x38 h GLN 265 CO 0.96 0.87 0.20 -0.44 -1.93 0.00 0.00 178.83 178.49 1x38 h ASP 266 N 0.58 0.24 0.15 -0.69 3.32 -1.89 -0.26 116.42 117.86 1x38 h ASP 266 Ca 0.07 0.05 -0.23 0.00 0.02 0.00 0.00 57.03 56.94 1x38 h ASP 266 Cb 0.77 0.01 0.02 0.00 0.22 0.00 0.00 39.33 40.35 1x38 h ASP 266 CO 0.06 0.17 -1.03 -0.07 -1.72 0.00 0.00 179.24 176.65 1x38 h LEU 267 N 0.39 0.51 0.04 1.55 3.38 -1.90 -0.54 115.31 118.74 1x38 h LEU 267 Ca 0.22 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.26 1x38 h LEU 267 Cb 0.19 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1x38 h LEU 267 CO -0.20 1.48 -0.02 0.58 0.09 0.00 0.00 178.44 180.37 1x38 h VAL 268 N -0.28 1.36 0.00 1.22 2.07 -1.21 0.76 116.25 120.16 1x38 h VAL 268 Ca -0.19 -1.49 -0.08 0.00 0.82 0.00 0.00 66.70 65.76 1x38 h VAL 268 Cb 1.74 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.82 1x38 h VAL 268 CO 0.15 0.37 -0.57 0.74 0.02 0.00 0.00 177.57 178.28 1x38 h THR 269 N -0.74 0.71 -0.81 2.57 2.02 -1.06 -2.19 112.91 113.41 1x38 h THR 269 Ca -0.01 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 1x38 h THR 269 Cb 0.64 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 1x38 h THR 269 CO 0.01 0.24 0.50 1.23 0.37 0.00 0.00 175.52 177.87 1x38 h GLY 270 N -1.00 1.16 0.00 2.16 0.00 -0.63 0.61 103.07 105.37 1x38 h GLY 270 Ca -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1x38 h GLY 270 CO -0.07 0.45 -0.82 2.98 0.00 0.00 0.00 176.54 179.08 1x38 n TYR 271 N -4.48 0.06 0.19 5.60 4.19 -0.27 -3.03 117.16 119.42 1x38 n TYR 271 Ca 0.08 0.03 -0.15 0.00 3.31 0.00 0.00 57.90 61.17 1x38 n TYR 271 Cb 0.04 -0.45 -0.08 0.00 0.49 0.00 0.00 39.34 39.35 1x38 n TYR 271 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1x38 h LEU 272 N -0.85 -0.35 0.01 2.98 5.85 -0.86 0.50 115.31 122.59 1x38 h LEU 272 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1x38 h LEU 272 Cb 0.82 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1x38 h LEU 272 CO 0.00 -0.24 -0.15 0.11 -0.34 0.00 0.00 178.44 177.82 1x38 h LYS 273 N -0.43 0.08 0.00 1.25 1.57 -1.33 -2.48 116.57 115.23 1x38 h LYS 273 Ca -0.04 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 1x38 h LYS 273 Cb 0.33 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1x38 h LYS 273 CO 0.07 0.95 -0.94 -0.44 -0.57 0.00 0.00 179.45 178.52 1x38 h ASP 274 N -0.75 0.00 0.00 0.86 3.32 -0.95 -2.59 116.42 116.32 1x38 h ASP 274 Ca -0.02 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.71 1x38 h ASP 274 Cb 1.01 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 1x38 h ASP 274 CO 0.03 0.35 -2.08 0.41 -1.72 0.00 0.00 179.24 176.23 1x38 n THR 275 N -2.94 1.07 0.87 0.35 -1.04 -0.47 -4.50 114.28 107.62 1x38 n THR 275 Ca -0.03 -0.29 0.13 0.00 -2.04 0.00 0.00 64.05 61.82 1x38 n THR 275 Cb 0.71 -1.68 0.55 0.00 -1.82 0.00 0.00 70.33 68.09 1x38 n THR 275 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1x38 n LEU 276 N -3.76 0.16 -2.14 -4.42 4.77 0.04 -4.93 117.00 106.73 1x38 n LEU 276 Ca -0.38 0.52 -0.17 0.00 -0.03 0.00 0.00 56.01 55.95 1x38 n LEU 276 Cb 0.78 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 1x38 n LEU 276 CO 0.04 -0.07 -0.13 0.29 -1.33 0.00 0.00 177.39 176.19 1x38 n LYS 277 N -1.66 -2.37 -1.78 3.23 4.76 -0.98 -4.50 118.16 114.86 1x38 n LYS 277 Ca 0.06 0.79 -0.42 0.00 -2.87 0.00 0.00 58.31 55.87 1x38 n LYS 277 Cb 0.34 -5.26 -0.03 0.00 -1.84 0.00 0.00 35.03 28.24 1x38 n LYS 277 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1x38 s PHE 278 N -2.93 2.40 -0.16 2.13 5.36 -0.95 -4.41 117.98 119.42 1x38 s PHE 278 Ca 0.09 0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.24 1x38 s PHE 278 Cb -0.04 -4.10 0.02 0.00 -0.34 0.00 0.00 43.02 38.55 1x38 s PHE 278 CO 0.12 -4.44 0.68 1.63 -1.46 0.00 0.00 175.22 171.75 1x38 n LYS 279 N 5.27 0.27 -0.01 10.12 4.76 0.13 -4.66 118.16 134.03 1x38 n LYS 279 Ca 0.17 -0.86 0.00 0.00 -2.87 0.00 0.00 58.31 54.74 1x38 n LYS 279 Cb 0.38 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.54 1x38 n LYS 279 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x38 n GLY 280 N -0.05 -0.45 3.67 0.72 0.00 -1.25 -4.67 105.19 103.16 1x38 n GLY 280 Ca 0.01 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 1x38 n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x38 s PHE 281 N 0.14 3.05 -0.22 1.61 -0.12 -1.00 -4.83 117.98 116.62 1x38 s PHE 281 Ca 0.00 0.07 -0.14 0.00 -0.05 0.00 0.00 56.93 56.81 1x38 s PHE 281 Cb 0.00 -1.67 -0.04 0.00 -0.63 0.00 0.00 43.02 40.67 1x38 s PHE 281 CO 0.00 0.44 0.31 0.08 -0.05 0.00 0.00 175.22 176.00 1x38 s VAL 282 N -1.04 5.26 0.02 -2.49 1.01 -1.26 -1.96 120.40 119.93 1x38 s VAL 282 Ca 0.18 0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.72 1x38 s VAL 282 Cb -0.11 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1x38 s VAL 282 CO 0.09 0.29 -0.12 -0.51 0.00 0.00 0.00 175.10 174.84 1x38 s ILE 283 N 1.21 3.21 0.86 2.22 2.07 0.07 -0.80 121.20 130.04 1x38 s ILE 283 Ca 0.15 -0.96 -0.12 0.00 -1.41 0.00 0.00 60.65 58.31 1x38 s ILE 283 Cb -0.14 -2.36 0.11 0.00 0.13 0.00 0.00 42.46 40.19 1x38 s ILE 283 CO 0.07 0.39 1.10 -0.94 -1.91 0.00 0.00 174.94 173.64 1x38 s SER 284 N -1.37 3.83 0.93 4.50 1.04 -0.50 -1.10 113.70 121.03 1x38 s SER 284 Ca 0.15 1.34 -0.12 0.00 0.48 0.00 0.00 55.95 57.80 1x38 s SER 284 Cb -0.11 -2.03 0.20 0.00 0.10 0.00 0.00 66.02 64.18 1x38 s SER 284 CO 0.06 -2.39 1.26 -0.62 0.98 0.00 0.00 173.24 172.53 1x38 s ASP 285 N -3.68 3.21 -0.29 7.02 -1.08 -1.24 -4.33 116.67 116.27 1x38 s ASP 285 Ca 0.62 -0.00 -0.29 0.00 -0.52 0.00 0.00 52.55 52.36 1x38 s ASP 285 Cb -0.16 -0.04 -0.01 0.00 -1.46 0.00 0.00 42.92 41.25 1x38 s ASP 285 CO 0.55 -2.65 1.44 0.86 0.52 0.00 0.00 175.17 175.89 1x38 s TRP 286 N -3.75 2.42 -1.65 -5.34 -0.11 -1.26 -1.30 118.94 107.95 1x38 s TRP 286 Ca 0.74 0.73 0.00 0.00 1.22 0.00 0.00 56.10 58.79 1x38 s TRP 286 Cb -0.03 -4.01 0.00 0.00 -1.50 0.00 0.00 33.47 27.94 1x38 s TRP 286 CO 0.51 -2.19 0.00 0.39 -4.62 0.00 0.00 176.95 171.05 1x38 n GLU 287 N 7.59 -1.69 -0.12 5.86 1.02 -1.07 -4.87 120.64 127.36 1x38 n GLU 287 Ca 0.17 0.93 -0.01 0.00 -0.02 0.00 0.00 57.16 58.22 1x38 n GLU 287 Cb 0.46 -5.45 0.24 0.00 -0.02 0.00 0.00 31.44 26.68 1x38 n GLU 287 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x38 h GLY 288 N 0.00 0.86 1.57 0.62 0.00 -1.44 -2.07 103.07 102.61 1x38 h GLY 288 Ca -0.40 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.37 1x38 h GLY 288 CO 0.51 0.41 -0.47 0.16 0.00 0.00 0.00 176.54 177.15 1x38 h ILE 289 N 0.79 1.32 -0.92 2.60 3.07 -1.89 -2.81 117.51 119.67 1x38 h ILE 289 Ca 0.19 -1.67 0.07 0.00 1.55 0.00 0.00 64.86 65.00 1x38 h ILE 289 Cb 0.17 1.69 -0.06 0.00 -0.27 0.00 0.00 36.82 38.34 1x38 h ILE 289 CO -0.02 0.52 0.59 0.44 -1.05 0.00 0.00 178.15 178.63 1x38 h ASP 290 N 0.37 0.90 -0.06 2.16 3.45 -1.75 -2.51 116.42 118.98 1x38 h ASP 290 Ca 0.02 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1x38 h ASP 290 Cb 0.96 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.55 1x38 h ASP 290 CO 0.08 0.56 0.00 0.54 -1.57 0.00 0.00 179.24 178.86 1x38 n ARG 291 N -4.50 1.28 -0.22 3.56 1.74 -0.89 -0.75 116.66 116.87 1x38 n ARG 291 Ca 0.14 -0.42 -0.02 0.00 -0.77 0.00 0.00 57.85 56.78 1x38 n ARG 291 Cb 0.23 -1.32 0.18 0.00 -1.02 0.00 0.00 32.46 30.52 1x38 n ARG 291 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1x38 h ILE 292 N 0.86 1.22 -2.79 0.55 2.04 -1.43 -3.45 117.51 114.52 1x38 h ILE 292 Ca 0.00 -0.58 -0.47 0.00 1.00 0.00 0.00 64.86 64.81 1x38 h ILE 292 Cb 0.19 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1x38 h ILE 292 CO 0.00 0.25 -0.18 0.42 0.00 0.00 0.00 178.15 178.64 1x38 s THR 293 N -5.65 4.96 -0.17 -0.27 -4.23 -1.18 -4.97 115.64 104.14 1x38 s THR 293 Ca -0.11 -0.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.94 1x38 s THR 293 Cb 0.17 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 70.23 1x38 s THR 293 CO 0.80 -0.53 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.33 1x38 s THR 294 N -2.35 1.61 0.80 3.99 2.01 -1.26 -2.62 115.64 117.82 1x38 s THR 294 Ca 0.41 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 1x38 s THR 294 Cb -0.10 -1.56 0.08 0.00 0.01 0.00 0.00 72.50 70.93 1x38 s THR 294 CO 0.36 0.37 1.15 -2.84 -0.69 0.00 0.00 174.62 172.96 1x38 s PRO 295 N 1.45 1.86 0.29 4.92 0.02 -1.26 -4.97 135.00 137.32 1x38 s PRO 295 Ca 0.03 1.49 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 1x38 s PRO 295 Cb -0.14 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.43 1x38 s PRO 295 CO -0.10 -1.99 1.42 0.00 -0.33 0.00 0.00 177.00 176.00 1x38 n ALA 296 N -3.41 1.60 -0.94 -1.55 0.00 -1.08 -2.35 120.51 112.78 1x38 n ALA 296 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1x38 n ALA 296 Cb 0.52 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1x38 n ALA 296 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x38 n GLY 297 N 1.62 0.61 0.15 0.00 0.00 0.07 -4.89 105.19 102.75 1x38 n GLY 297 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1x38 n GLY 297 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x38 h SER 298 N 0.00 0.00 -1.53 1.61 4.64 -1.73 -3.34 113.55 113.20 1x38 h SER 298 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1x38 h SER 298 Cb 0.10 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.90 1x38 h SER 298 CO 0.00 0.00 -0.81 -0.67 -0.87 0.00 0.00 176.83 174.48 1x38 n ASP 299 N -2.42 -1.48 0.19 4.97 -0.08 -1.26 -5.00 116.55 111.47 1x38 n ASP 299 Ca 0.03 -2.75 0.03 0.00 -1.51 0.00 0.00 54.79 50.59 1x38 n ASP 299 Cb 0.30 0.41 0.36 0.00 2.34 0.00 0.00 41.12 44.52 1x38 n ASP 299 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1x38 h TYR 300 N 4.79 0.00 -0.28 -0.67 3.20 -1.96 -0.91 116.97 121.14 1x38 h TYR 300 Ca 0.10 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.01 1x38 h TYR 300 Cb 0.97 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 1x38 h TYR 300 CO 0.20 0.38 0.04 1.03 -1.64 0.00 0.00 178.16 178.18 1x38 h SER 301 N 0.00 -0.02 -0.50 -2.11 0.87 -1.94 -0.47 113.55 109.38 1x38 h SER 301 Ca -0.00 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1x38 h SER 301 Cb 0.69 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1x38 h SER 301 CO 0.05 0.03 0.28 0.22 -0.53 0.00 0.00 176.83 176.88 1x38 h TYR 302 N 0.14 0.67 -0.68 2.24 5.03 -1.72 -1.94 116.97 120.72 1x38 h TYR 302 Ca 0.13 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.54 1x38 h TYR 302 Cb 0.14 -0.22 -0.08 0.00 1.55 0.00 0.00 36.73 38.13 1x38 h TYR 302 CO -0.18 0.49 0.27 0.77 -1.32 0.00 0.00 178.16 178.19 1x38 h SER 303 N 0.66 0.28 -0.12 -2.11 0.02 -0.64 0.22 113.55 111.87 1x38 h SER 303 Ca 0.18 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1x38 h SER 303 Cb 0.03 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1x38 h SER 303 CO -0.03 0.15 -0.08 0.58 -1.14 0.00 0.00 176.83 176.31 1x38 h VAL 304 N 0.45 1.33 0.15 2.27 2.07 -0.90 -2.23 116.25 119.39 1x38 h VAL 304 Ca 0.35 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1x38 h VAL 304 Cb 0.46 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1x38 h VAL 304 CO -0.33 0.33 -0.19 0.50 0.02 0.00 0.00 177.57 177.90 1x38 h LYS 305 N -0.11 -0.37 -0.63 1.57 3.64 -0.89 -1.98 116.57 117.81 1x38 h LYS 305 Ca 0.02 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1x38 h LYS 305 Cb 0.56 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1x38 h LYS 305 CO 0.02 -0.25 0.40 0.00 -2.27 0.00 0.00 179.45 177.35 1x38 h ALA 306 N 0.41 0.81 -0.00 5.00 0.00 -0.60 -0.60 119.26 124.28 1x38 h ALA 306 Ca 0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1x38 h ALA 306 Cb 0.38 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1x38 h ALA 306 CO -0.07 0.16 -0.44 0.66 0.00 0.00 0.00 179.25 179.56 1x38 h SER 307 N 0.79 0.40 -0.47 0.00 4.64 -1.34 -0.70 113.55 116.86 1x38 h SER 307 Ca 0.24 -0.76 -0.09 0.00 -0.47 0.00 0.00 61.79 60.72 1x38 h SER 307 Cb -0.02 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1x38 h SER 307 CO -0.09 1.11 -0.04 0.40 -0.87 0.00 0.00 176.83 177.34 1x38 h ILE 308 N -0.27 1.27 -0.17 0.95 1.08 -1.35 -2.39 117.51 116.62 1x38 h ILE 308 Ca -0.05 -1.13 -0.05 0.00 -0.39 0.00 0.00 64.86 63.23 1x38 h ILE 308 Cb 1.17 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 1x38 h ILE 308 CO 0.09 0.39 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.75 1x38 h LEU 309 N 0.71 0.26 -1.98 1.44 3.38 -1.13 -2.05 115.31 115.94 1x38 h LEU 309 Ca 0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1x38 h LEU 309 Cb 0.57 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1x38 h LEU 309 CO 0.03 0.41 -0.09 0.00 0.09 0.00 0.00 178.44 178.88 1x38 h ALA 310 N 1.62 1.22 0.00 1.53 0.00 -0.63 -3.47 119.26 119.53 1x38 h ALA 310 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x38 h ALA 310 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1x38 h ALA 310 CO 0.02 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1x38 n GLY 311 N -0.65 1.08 3.76 0.00 0.00 -0.77 -3.21 105.19 105.41 1x38 n GLY 311 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1x38 n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x38 s LEU 312 N 0.00 4.06 -0.19 0.99 1.02 -0.99 -4.83 118.68 118.75 1x38 s LEU 312 Ca 0.00 2.57 0.01 0.00 0.02 0.00 0.00 54.13 56.73 1x38 s LEU 312 Cb 0.00 -4.10 -0.12 0.00 0.02 0.00 0.00 46.19 41.99 1x38 s LEU 312 CO 0.00 -1.05 -0.17 0.47 0.02 0.00 0.00 176.35 175.63 1x38 n ASP 313 N -0.35 2.52 -4.12 2.29 10.43 0.02 -4.65 116.55 122.68 1x38 n ASP 313 Ca 0.06 -0.09 -0.26 0.00 2.57 0.00 0.00 54.79 57.07 1x38 n ASP 313 Cb 0.45 -0.30 -0.16 0.00 1.84 0.00 0.00 41.12 42.95 1x38 n ASP 313 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 1x38 s MET 314 N -2.37 1.87 -0.24 -1.24 0.00 -0.42 -4.57 119.30 112.33 1x38 s MET 314 Ca -0.25 -0.60 -0.07 0.00 0.00 0.00 0.00 55.69 54.77 1x38 s MET 314 Cb 0.07 -1.59 -0.03 0.00 0.00 0.00 0.00 34.83 33.28 1x38 s MET 314 CO 0.43 0.20 0.06 0.42 0.00 0.00 0.00 175.02 176.13 1x38 s ILE 315 N 0.16 4.26 -1.01 10.11 -1.09 0.48 -1.41 121.20 132.71 1x38 s ILE 315 Ca -0.07 -0.19 -0.23 0.00 -2.23 0.00 0.00 60.65 57.93 1x38 s ILE 315 Cb -0.13 -2.98 0.04 0.00 -1.58 0.00 0.00 42.46 37.80 1x38 s ILE 315 CO 0.03 0.35 1.53 -0.32 -1.23 0.00 0.00 174.94 175.31 1x38 s MET 316 N 1.53 3.44 0.10 2.79 -2.45 -1.26 -1.03 119.30 122.42 1x38 s MET 316 Ca 0.06 -1.02 -0.27 0.00 -1.25 0.00 0.00 55.69 53.21 1x38 s MET 316 Cb -0.15 -5.32 -0.10 0.00 1.25 0.00 0.00 34.83 30.51 1x38 s MET 316 CO 0.03 -2.40 1.66 0.28 1.05 0.00 0.00 175.02 175.64 1x38 h VAL 317 N 6.83 0.52 -0.01 10.11 2.07 -1.68 -2.85 116.25 131.24 1x38 h VAL 317 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1x38 h VAL 317 Cb 1.01 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1x38 h VAL 317 CO 1.40 0.00 -0.45 -0.81 0.02 0.00 0.00 177.57 177.72 1x38 n PRO 318 N -5.34 1.13 -0.09 1.57 -0.04 -1.26 -3.45 135.00 127.51 1x38 n PRO 318 Ca -0.07 -0.90 -0.20 0.00 -0.04 0.00 0.00 63.50 62.29 1x38 n PRO 318 Cb 0.25 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 1x38 n PRO 318 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x38 n ASN 319 N -0.15 1.32 -3.55 3.54 5.03 -1.26 -0.83 115.26 119.37 1x38 n ASN 319 Ca 0.10 0.23 -0.40 0.00 0.87 0.00 0.00 54.58 55.37 1x38 n ASN 319 Cb 0.45 -0.55 -0.01 0.00 -1.02 0.00 0.00 39.78 38.65 1x38 n ASN 319 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1x38 n LYS 320 N -3.85 4.18 0.16 3.52 4.01 -1.26 -4.70 118.16 120.23 1x38 n LYS 320 Ca -0.37 -3.25 0.02 0.00 -0.51 0.00 0.00 58.31 54.20 1x38 n LYS 320 Cb 0.76 -2.75 0.36 0.00 -0.51 0.00 0.00 35.03 32.90 1x38 n LYS 320 CO 0.00 0.00 0.00 0.10 -1.11 0.00 0.00 177.40 176.39 1x38 h TYR 321 N 4.97 0.10 -0.30 2.13 -0.00 -1.96 -2.41 116.97 119.50 1x38 h TYR 321 Ca 0.66 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 59.32 1x38 h TYR 321 Cb 0.38 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 37.08 1x38 h TYR 321 CO 1.56 0.38 -0.02 0.37 -0.00 0.00 0.00 178.16 180.46 1x38 h GLN 322 N 0.08 0.55 -0.08 0.10 4.15 -2.00 0.25 115.11 118.16 1x38 h GLN 322 Ca 0.01 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.25 1x38 h GLN 322 Cb 0.57 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 1x38 h GLN 322 CO 0.04 0.70 0.05 0.37 -1.93 0.00 0.00 178.83 178.06 1x38 h GLN 323 N 0.33 0.11 0.03 1.69 4.15 -1.93 -0.14 115.11 119.34 1x38 h GLN 323 Ca 0.08 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.52 1x38 h GLN 323 Cb 0.47 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 1x38 h GLN 323 CO 0.02 0.12 -0.36 0.35 -1.93 0.00 0.00 178.83 177.03 1x38 h PHE 324 N 0.06 -1.00 -0.82 3.99 3.57 -1.26 0.00 116.94 121.49 1x38 h PHE 324 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1x38 h PHE 324 Cb 0.04 0.44 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1x38 h PHE 324 CO -0.06 -0.45 0.49 0.82 -2.23 0.00 0.00 178.31 176.88 1x38 h ILE 325 N -0.53 1.23 -0.39 1.41 2.04 -0.83 -1.11 117.51 119.33 1x38 h ILE 325 Ca 0.05 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1x38 h ILE 325 Cb 0.60 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1x38 h ILE 325 CO -0.27 0.24 0.09 -1.28 0.00 0.00 0.00 178.15 176.93 1x38 h SER 326 N 1.12 0.59 -0.20 1.72 0.87 -0.68 -0.29 113.55 116.68 1x38 h SER 326 Ca 0.29 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1x38 h SER 326 Cb -0.04 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1x38 h SER 326 CO -0.05 0.67 0.01 0.40 -0.53 0.00 0.00 176.83 177.32 1x38 h ILE 327 N 0.48 1.25 -0.62 2.23 1.08 -0.74 -1.42 117.51 119.76 1x38 h ILE 327 Ca 0.12 -0.84 -0.08 0.00 -0.39 0.00 0.00 64.86 63.67 1x38 h ILE 327 Cb 0.31 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 1x38 h ILE 327 CO 0.00 0.26 0.08 0.25 -0.69 0.00 0.00 178.15 178.04 1x38 h LEU 328 N 0.11 1.02 -0.75 1.44 5.85 -1.13 -1.10 115.31 120.75 1x38 h LEU 328 Ca 0.06 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1x38 h LEU 328 Cb 0.37 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1x38 h LEU 328 CO 0.01 1.03 0.48 0.74 -0.34 0.00 0.00 178.44 180.36 1x38 h THR 329 N 0.96 1.11 -0.53 1.05 2.02 -0.94 -1.54 112.91 115.05 1x38 h THR 329 Ca 0.19 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1x38 h THR 329 Cb 0.47 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1x38 h THR 329 CO 0.02 0.17 0.14 1.23 0.37 0.00 0.00 175.52 177.45 1x38 h GLY 330 N 0.94 0.91 1.05 2.16 0.00 -0.75 0.14 103.07 107.51 1x38 h GLY 330 Ca 0.30 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1x38 h GLY 330 CO -0.11 0.53 0.41 0.45 0.00 0.00 0.00 176.54 177.82 1x38 h HIS 331 N 0.75 1.23 -0.12 5.60 -0.00 -0.82 -0.03 115.15 121.76 1x38 h HIS 331 Ca 0.17 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.43 1x38 h HIS 331 Cb 0.33 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1x38 h HIS 331 CO 0.02 0.89 -0.13 0.28 -0.00 0.00 0.00 177.93 178.99 1x38 h VAL 332 N 1.22 1.36 -0.41 2.45 2.07 -1.02 -0.14 116.25 121.77 1x38 h VAL 332 Ca 0.29 -1.30 0.09 0.00 0.82 0.00 0.00 66.70 66.61 1x38 h VAL 332 Cb 0.12 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1x38 h VAL 332 CO -0.04 0.37 0.28 0.78 0.02 0.00 0.00 177.57 178.99 1x38 h ASN 333 N -0.10 0.13 0.49 0.57 -0.26 -0.49 -1.86 115.58 114.06 1x38 h ASN 333 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1x38 h ASN 333 Cb 0.65 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1x38 h ASN 333 CO 0.03 0.08 -0.40 0.61 -1.06 0.00 0.00 177.43 176.69 1x38 n GLY 334 N -1.57 -1.15 1.79 2.83 0.00 -0.04 -4.96 105.19 102.08 1x38 n GLY 334 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1x38 n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x38 n GLY 335 N 1.46 0.55 0.10 -0.02 0.00 -0.70 -4.93 105.19 101.65 1x38 n GLY 335 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1x38 n GLY 335 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x38 h VAL 336 N 0.00 1.58 -3.08 1.61 2.07 -1.29 -3.41 116.25 113.73 1x38 h VAL 336 Ca 0.00 -2.92 -0.67 0.00 0.82 0.00 0.00 66.70 63.93 1x38 h VAL 336 Cb 0.00 2.62 -0.35 0.00 -1.52 0.00 0.00 31.29 32.04 1x38 h VAL 336 CO 0.00 0.84 -0.86 -0.63 0.02 0.00 0.00 177.57 176.94 1x38 s ILE 337 N -3.01 2.07 0.54 4.57 1.01 -1.10 -5.01 121.20 120.28 1x38 s ILE 337 Ca -0.01 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 1x38 s ILE 337 Cb 0.10 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 1x38 s ILE 337 CO 0.82 0.54 1.06 -2.16 0.00 0.00 0.00 174.94 175.20 1x38 s PRO 338 N 1.23 3.53 0.46 2.79 0.04 -1.26 -4.30 135.00 137.50 1x38 s PRO 338 Ca 0.04 1.31 0.17 0.00 0.04 0.00 0.00 61.00 62.56 1x38 s PRO 338 Cb -0.13 -2.06 1.14 0.00 0.04 0.00 0.00 34.50 33.49 1x38 s PRO 338 CO -0.12 -0.65 2.00 1.98 0.04 0.00 0.00 177.00 180.25 1x38 h MET 339 N 1.00 0.27 -0.79 4.56 4.05 -1.96 -1.66 114.93 120.39 1x38 h MET 339 Ca -0.48 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.03 1x38 h MET 339 Cb 1.22 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.91 1x38 h MET 339 CO 0.58 0.18 0.51 0.66 0.23 0.00 0.00 176.91 179.07 1x38 h SER 340 N 0.28 0.59 -0.09 1.39 4.64 -1.98 0.14 113.55 118.52 1x38 h SER 340 Ca 0.25 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.51 1x38 h SER 340 Cb 0.62 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1x38 h SER 340 CO -0.05 0.34 -0.25 -0.09 -0.87 0.00 0.00 176.83 175.91 1x38 h ARG 341 N 0.65 0.33 -0.28 4.77 9.65 -1.68 -1.06 114.38 126.76 1x38 h ARG 341 Ca 0.37 -0.23 0.04 0.00 -1.10 0.00 0.00 59.98 59.06 1x38 h ARG 341 Cb 0.56 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.14 1x38 h ARG 341 CO -0.14 0.85 0.07 0.82 2.80 0.00 0.00 179.97 184.36 1x38 h ILE 342 N -0.13 0.88 -0.77 1.20 1.08 -1.41 -1.63 117.51 116.72 1x38 h ILE 342 Ca -0.00 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1x38 h ILE 342 Cb 0.86 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 1x38 h ILE 342 CO 0.05 0.03 0.50 0.44 -0.69 0.00 0.00 178.15 178.49 1x38 h ASP 343 N 0.17 0.90 -0.07 1.72 3.32 -0.66 -0.99 116.42 120.82 1x38 h ASP 343 Ca 0.13 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1x38 h ASP 343 Cb 0.13 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1x38 h ASP 343 CO -0.16 0.66 0.02 -0.78 -1.72 0.00 0.00 179.24 177.26 1x38 h ASP 344 N 1.05 0.10 -0.29 6.45 1.82 -0.90 0.17 116.42 124.82 1x38 h ASP 344 Ca 0.28 -0.22 0.04 0.00 -0.39 0.00 0.00 57.03 56.75 1x38 h ASP 344 Cb -0.10 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 39.84 1x38 h ASP 344 CO -0.06 0.29 0.04 0.00 -1.61 0.00 0.00 179.24 177.91 1x38 h ALA 345 N 0.81 0.30 -0.44 -0.78 0.00 -0.94 -1.62 119.26 116.58 1x38 h ALA 345 Ca 0.02 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1x38 h ALA 345 Cb 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1x38 h ALA 345 CO -0.00 -0.37 -0.15 0.28 0.00 0.00 0.00 179.25 179.01 1x38 h VAL 346 N 0.14 1.27 -0.57 0.00 2.07 -1.15 -1.48 116.25 116.53 1x38 h VAL 346 Ca 0.14 -1.28 0.11 0.00 0.82 0.00 0.00 66.70 66.49 1x38 h VAL 346 Cb 0.16 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 1x38 h VAL 346 CO -0.20 0.43 0.10 0.74 0.02 0.00 0.00 177.57 178.67 1x38 h THR 347 N 0.71 0.65 -0.37 2.57 2.02 -0.69 0.11 112.91 117.91 1x38 h THR 347 Ca 0.11 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1x38 h THR 347 Cb 0.70 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1x38 h THR 347 CO 0.05 0.04 -0.01 0.03 0.37 0.00 0.00 175.52 176.00 1x38 h ARG 348 N 0.23 0.65 -0.03 6.66 3.08 -1.01 0.18 114.38 124.15 1x38 h ARG 348 Ca 0.30 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1x38 h ARG 348 Cb 0.43 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1x38 h ARG 348 CO -0.39 0.77 0.01 0.82 -1.07 0.00 0.00 179.97 180.10 1x38 h ILE 349 N 0.47 1.16 -0.84 2.04 2.04 -0.87 -2.26 117.51 119.25 1x38 h ILE 349 Ca 0.10 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1x38 h ILE 349 Cb 0.48 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1x38 h ILE 349 CO 0.02 0.13 0.49 -0.07 0.00 0.00 0.00 178.15 178.72 1x38 h LEU 350 N -0.15 1.02 -0.55 1.44 3.38 -0.75 -1.93 115.31 117.78 1x38 h LEU 350 Ca 0.01 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1x38 h LEU 350 Cb 0.20 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1x38 h LEU 350 CO -0.00 0.80 0.27 -0.09 0.09 0.00 0.00 178.44 179.51 1x38 h ARG 351 N 1.16 0.51 -0.22 1.13 2.43 -0.39 0.76 114.38 119.76 1x38 h ARG 351 Ca 0.30 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1x38 h ARG 351 Cb -0.02 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1x38 h ARG 351 CO -0.05 0.33 0.07 0.28 -1.51 0.00 0.00 179.97 179.09 1x38 h VAL 352 N 0.52 1.19 -0.18 0.20 2.07 -1.11 -0.98 116.25 117.96 1x38 h VAL 352 Ca 0.24 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1x38 h VAL 352 Cb 0.17 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1x38 h VAL 352 CO -0.18 0.19 0.11 0.11 0.02 0.00 0.00 177.57 177.83 1x38 h LYS 353 N 0.19 0.22 -0.44 1.57 1.57 -0.86 -1.86 116.57 116.97 1x38 h LYS 353 Ca 0.07 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1x38 h LYS 353 Cb 0.23 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1x38 h LYS 353 CO -0.00 0.15 0.11 0.74 -0.57 0.00 0.00 179.45 179.88 1x38 h PHE 354 N 0.23 0.73 -0.69 -1.35 -1.00 -0.85 -1.86 116.94 112.15 1x38 h PHE 354 Ca 0.07 -0.08 0.04 0.00 2.81 0.00 0.00 57.97 60.80 1x38 h PHE 354 Cb -0.01 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.30 1x38 h PHE 354 CO -0.07 0.67 0.42 1.15 -1.61 0.00 0.00 178.31 178.87 1x38 h THR 355 N 0.57 1.06 0.00 -1.55 2.02 -0.96 -2.25 112.91 111.81 1x38 h THR 355 Ca 0.14 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1x38 h THR 355 Cb 0.31 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1x38 h THR 355 CO 0.00 0.15 0.00 1.15 0.37 0.00 0.00 175.52 177.19 1x38 n MET 356 N -4.70 0.52 -0.61 6.66 0.00 -0.72 -4.61 117.12 113.67 1x38 n MET 356 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.78 1x38 n MET 356 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.83 1x38 n MET 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x38 n GLY 357 N 1.22 0.67 0.30 3.17 0.00 -0.84 -4.24 105.19 105.46 1x38 n GLY 357 Ca 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.00 1x38 n GLY 357 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x38 h LEU 358 N 0.00 0.43 -0.98 0.99 6.46 -1.55 0.74 115.31 121.40 1x38 h LEU 358 Ca 0.00 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.67 1x38 h LEU 358 Cb 0.00 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 1x38 h LEU 358 CO 0.00 0.34 -0.31 -0.26 -0.62 0.00 0.00 178.44 177.58 1x38 h PHE 359 N 0.50 0.00 0.07 1.25 -1.00 -1.88 -1.96 116.94 113.91 1x38 h PHE 359 Ca 0.13 0.00 -0.31 0.00 2.81 0.00 0.00 57.97 60.60 1x38 h PHE 359 Cb -0.01 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 1x38 h PHE 359 CO 0.00 0.31 -1.70 0.93 -1.61 0.00 0.00 178.31 176.24 1x38 h GLU 360 N 0.00 0.14 -2.10 1.51 3.07 -1.49 -3.41 114.58 112.30 1x38 h GLU 360 Ca -0.00 -0.24 -0.57 0.00 -0.50 0.00 0.00 59.36 58.04 1x38 h GLU 360 Cb 0.85 0.09 -0.41 0.00 -0.84 0.00 0.00 28.75 28.44 1x38 h GLU 360 CO 0.04 0.88 -0.87 0.09 -1.40 0.00 0.00 179.01 177.75 1x38 n ASN 361 N -3.29 1.99 0.19 1.42 3.02 0.10 -4.93 115.26 113.76 1x38 n ASN 361 Ca -0.20 -3.09 0.14 0.00 -0.03 0.00 0.00 54.58 51.40 1x38 n ASN 361 Cb 1.04 -0.65 0.48 0.00 -0.61 0.00 0.00 39.78 40.05 1x38 n ASN 361 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1x38 h PRO 362 N 3.93 0.00 -6.22 3.52 0.13 -1.60 -3.44 132.00 128.33 1x38 h PRO 362 Ca 0.13 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.71 1x38 h PRO 362 Cb 0.77 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.83 1x38 h PRO 362 CO 0.64 0.00 -0.57 0.71 -0.23 0.00 0.00 178.00 178.55 1x38 s TYR 363 N -3.38 3.02 0.65 1.56 2.02 -1.26 -4.97 117.35 114.99 1x38 s TYR 363 Ca 0.05 -0.11 -0.16 0.00 -0.37 0.00 0.00 57.07 56.48 1x38 s TYR 363 Cb 0.09 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 1x38 s TYR 363 CO 0.53 0.54 1.16 0.00 -1.57 0.00 0.00 175.55 176.21 1x38 s ALA 364 N -2.00 2.42 -0.41 3.71 0.00 -1.26 -5.02 121.76 119.20 1x38 s ALA 364 Ca 0.31 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 1x38 s ALA 364 Cb -0.08 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1x38 s ALA 364 CO 0.23 -1.34 0.30 0.34 0.00 0.00 0.00 175.76 175.28 1x38 s ASP 365 N -2.09 6.06 0.61 0.00 2.15 -1.26 -4.97 116.67 117.17 1x38 s ASP 365 Ca 0.72 -0.95 0.32 0.00 0.43 0.00 0.00 52.55 53.07 1x38 s ASP 365 Cb -0.25 -2.14 1.90 0.00 -0.30 0.00 0.00 42.92 42.12 1x38 s ASP 365 CO 0.38 -0.46 2.23 1.55 -0.17 0.00 0.00 175.17 178.70 1x38 h PRO 366 N 8.61 0.00 0.00 4.34 0.13 -1.96 -0.34 132.00 142.79 1x38 h PRO 366 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1x38 h PRO 366 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1x38 h PRO 366 CO 0.73 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.50 1x38 n ALA 367 N -2.26 1.86 0.58 -0.56 0.00 -1.26 -2.42 120.51 116.45 1x38 n ALA 367 Ca -0.02 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1x38 n ALA 367 Cb 0.15 -1.38 0.26 0.00 0.00 0.00 0.00 19.45 18.48 1x38 n ALA 367 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1x38 n MET 368 N -2.01 0.29 -0.24 0.00 2.81 -0.14 -4.22 117.12 113.60 1x38 n MET 368 Ca 0.04 0.14 0.12 0.00 -1.81 0.00 0.00 57.70 56.19 1x38 n MET 368 Cb 0.27 -1.74 0.40 0.00 -0.71 0.00 0.00 33.22 31.44 1x38 n MET 368 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x38 h ALA 369 N 2.50 1.88 0.00 3.04 0.00 -1.59 -0.28 119.26 124.81 1x38 h ALA 369 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x38 h ALA 369 Cb 0.75 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1x38 h ALA 369 CO 0.00 -0.10 0.00 -0.85 0.00 0.00 0.00 179.25 178.30 1x38 n GLU 370 N -4.54 0.04 0.24 0.00 0.28 -1.26 -2.45 120.64 112.95 1x38 n GLU 370 Ca 0.16 0.31 0.11 0.00 -0.16 0.00 0.00 57.16 57.58 1x38 n GLU 370 Cb 0.46 -1.58 0.56 0.00 1.43 0.00 0.00 31.44 32.31 1x38 n GLU 370 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1x38 h GLN 371 N 0.00 0.00 -6.46 3.44 1.08 -1.33 -3.41 115.11 108.43 1x38 h GLN 371 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 1x38 h GLN 371 Cb 0.24 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1x38 h GLN 371 CO 0.00 0.19 1.11 -1.17 -0.95 0.00 0.00 178.83 178.02 1x38 s LEU 372 N -6.96 4.40 -1.56 1.46 2.96 -1.03 -2.30 118.68 115.65 1x38 s LEU 372 Ca -0.01 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 1x38 s LEU 372 Cb 0.11 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1x38 s LEU 372 CO 0.62 -0.99 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 1x38 n GLY 373 N 4.24 1.44 3.76 7.98 0.00 -1.19 -4.92 105.19 116.50 1x38 n GLY 373 Ca 0.18 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1x38 n GLY 373 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x38 n LYS 374 N -2.56 2.71 -0.31 1.61 4.81 -0.97 -4.77 118.16 118.68 1x38 n LYS 374 Ca -0.15 0.96 0.11 0.00 -0.87 0.00 0.00 58.31 58.36 1x38 n LYS 374 Cb 0.49 -2.72 0.34 0.00 0.02 0.00 0.00 35.03 33.16 1x38 n LYS 374 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1x38 h GLN 375 N 3.99 0.74 -0.89 1.64 5.75 -1.92 0.45 115.11 124.87 1x38 h GLN 375 Ca -0.49 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.02 1x38 h GLN 375 Cb 1.23 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.56 1x38 h GLN 375 CO 0.73 0.49 0.58 0.93 -2.65 0.00 0.00 178.83 178.91 1x38 h GLU 376 N 0.77 1.01 -0.35 1.69 3.07 -1.99 0.15 114.58 118.93 1x38 h GLU 376 Ca 0.48 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 59.13 1x38 h GLU 376 Cb 0.72 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1x38 h GLU 376 CO -0.25 0.67 -0.38 0.45 -1.40 0.00 0.00 179.01 178.10 1x38 h HIS 377 N 1.04 1.00 -0.82 4.33 3.86 -1.29 -1.97 115.15 121.30 1x38 h HIS 377 Ca 0.37 -0.30 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1x38 h HIS 377 Cb 0.15 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 1x38 h HIS 377 CO -0.00 1.09 0.41 0.00 0.86 0.00 0.00 177.93 180.28 1x38 h ARG 378 N 0.69 1.18 -0.89 2.45 3.08 -0.65 0.03 114.38 120.26 1x38 h ARG 378 Ca 0.06 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.97 1x38 h ARG 378 Cb 0.95 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 1x38 h ARG 378 CO 0.09 0.90 0.57 -0.44 -1.07 0.00 0.00 179.97 180.02 1x38 h ASP 379 N 1.16 0.96 -0.40 7.04 3.45 -0.53 0.67 116.42 128.77 1x38 h ASP 379 Ca 0.28 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.71 1x38 h ASP 379 Cb 0.10 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 1x38 h ASP 379 CO -0.04 0.66 0.15 0.25 -1.57 0.00 0.00 179.24 178.69 1x38 h LEU 380 N 1.12 0.56 -1.04 1.55 5.85 -0.92 -1.51 115.31 120.92 1x38 h LEU 380 Ca 0.35 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1x38 h LEU 380 Cb -0.01 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1x38 h LEU 380 CO -0.11 0.59 0.39 0.00 -0.34 0.00 0.00 178.44 178.97 1x38 h ALA 381 N 0.99 1.26 -0.45 1.25 0.00 -0.47 -0.34 119.26 121.51 1x38 h ALA 381 Ca 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1x38 h ALA 381 Cb 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1x38 h ALA 381 CO -0.01 0.59 0.19 -0.09 0.00 0.00 0.00 179.25 179.93 1x38 h ARG 382 N 1.07 0.66 -0.37 0.00 2.43 -0.67 0.68 114.38 118.18 1x38 h ARG 382 Ca 0.27 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1x38 h ARG 382 Cb 0.06 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1x38 h ARG 382 CO -0.04 0.59 0.19 1.49 -1.51 0.00 0.00 179.97 180.69 1x38 h GLU 383 N 0.59 0.37 -0.43 0.20 4.81 -0.89 -1.69 114.58 117.55 1x38 h GLU 383 Ca 0.15 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1x38 h GLU 383 Cb 0.16 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1x38 h GLU 383 CO -0.02 0.25 0.14 0.00 -0.73 0.00 0.00 179.01 178.65 1x38 h ALA 384 N 1.19 0.56 -0.21 2.92 0.00 -0.74 -0.90 119.26 122.09 1x38 h ALA 384 Ca 0.16 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1x38 h ALA 384 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1x38 h ALA 384 CO -0.11 0.20 0.06 0.00 0.00 0.00 0.00 179.25 179.40 1x38 h ALA 385 N 0.99 0.22 -0.45 0.00 0.00 -0.75 0.07 119.26 119.33 1x38 h ALA 385 Ca 0.14 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1x38 h ALA 385 Cb 0.25 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1x38 h ALA 385 CO -0.01 -0.37 0.30 -0.09 0.00 0.00 0.00 179.25 179.09 1x38 h ARG 386 N 0.15 0.59 0.00 0.00 1.12 -1.13 -2.33 114.38 112.78 1x38 h ARG 386 Ca 0.09 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.90 1x38 h ARG 386 Cb 0.07 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 29.89 1x38 h ARG 386 CO -0.10 0.39 -0.12 0.87 -3.11 0.00 0.00 179.97 177.90 1x38 h LYS 387 N 0.61 0.00 0.00 0.20 1.57 -0.79 -2.95 116.57 115.20 1x38 h LYS 387 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1x38 h LYS 387 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1x38 h LYS 387 CO -0.04 0.12 0.00 0.66 -0.57 0.00 0.00 179.45 179.62 1x38 h SER 388 N 0.00 0.00 -3.28 0.86 4.64 -0.42 -3.24 113.55 112.11 1x38 h SER 388 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1x38 h SER 388 Cb 0.50 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.63 1x38 h SER 388 CO 0.02 0.00 0.74 -0.76 -0.87 0.00 0.00 176.83 175.95 1x38 s LEU 389 N -6.21 4.39 -0.23 5.97 1.43 -1.12 -4.74 118.68 118.18 1x38 s LEU 389 Ca 0.06 2.55 -0.03 0.00 -1.03 0.00 0.00 54.13 55.68 1x38 s LEU 389 Cb 0.05 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1x38 s LEU 389 CO 0.66 -0.66 -0.05 -0.69 0.23 0.00 0.00 176.35 175.84 1x38 s VAL 390 N 0.27 3.21 -0.35 -1.59 1.01 -0.29 -2.66 120.40 120.01 1x38 s VAL 390 Ca 0.60 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 1x38 s VAL 390 Cb -0.40 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1x38 s VAL 390 CO 0.39 0.34 1.06 -0.22 0.00 0.00 0.00 175.10 176.66 1x38 s LEU 391 N 1.43 3.90 -0.05 3.92 2.96 -1.26 -0.72 118.68 128.86 1x38 s LEU 391 Ca 0.04 0.89 0.19 0.00 -0.22 0.00 0.00 54.13 55.03 1x38 s LEU 391 Cb -0.15 -3.49 -0.22 0.00 0.50 0.00 0.00 46.19 42.83 1x38 s LEU 391 CO -0.04 -0.92 0.49 0.18 -1.32 0.00 0.00 176.35 174.74 1x38 n LEU 392 N 6.98 0.37 -3.71 -0.68 4.77 -0.03 -1.03 117.00 123.66 1x38 n LEU 392 Ca 0.11 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.12 1x38 n LEU 392 Cb 0.48 0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.67 1x38 n LEU 392 CO 0.61 0.22 0.15 -0.75 -1.33 0.00 0.00 177.39 176.29 1x38 s LYS 393 N -2.93 0.57 -0.40 3.23 2.20 -1.10 -4.90 119.74 116.40 1x38 s LYS 393 Ca -0.06 0.59 0.09 0.00 -0.36 0.00 0.00 55.97 56.23 1x38 s LYS 393 Cb 0.09 0.28 0.32 0.00 -1.51 0.00 0.00 37.83 37.01 1x38 s LYS 393 CO 0.84 -0.08 0.81 -1.71 -0.36 0.00 0.00 175.35 174.85 1x38 n ASN 394 N 2.66 -0.34 0.00 1.43 4.05 -1.25 -1.41 115.26 120.39 1x38 n ASN 394 Ca -0.14 -3.16 0.00 0.00 0.45 0.00 0.00 54.58 51.73 1x38 n ASN 394 Cb 0.57 0.20 0.00 0.00 1.23 0.00 0.00 39.78 41.78 1x38 n ASN 394 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1x38 n GLY 395 N 0.57 4.28 0.19 8.20 0.00 0.16 -4.22 105.19 114.36 1x38 n GLY 395 Ca 0.18 -1.24 0.09 0.00 0.00 0.00 0.00 46.02 45.05 1x38 n GLY 395 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x38 h LYS 396 N 0.00 0.00 -4.60 1.61 1.57 -1.84 -3.45 116.57 109.86 1x38 h LYS 396 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1x38 h LYS 396 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 1x38 h LYS 396 CO 0.00 0.20 -0.67 0.95 -0.57 0.00 0.00 179.45 179.36 1x38 s THR 397 N -3.16 0.51 -0.91 -0.16 -4.23 -1.26 -5.02 115.64 101.41 1x38 s THR 397 Ca 0.05 -1.93 0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1x38 s THR 397 Cb 0.06 -1.86 0.09 0.00 1.34 0.00 0.00 72.50 72.13 1x38 s THR 397 CO 0.69 -0.69 1.31 -1.54 -0.54 0.00 0.00 174.62 173.85 1x38 n SER 398 N -0.09 0.09 -0.10 3.99 3.41 -1.26 -2.36 113.62 117.29 1x38 n SER 398 Ca -0.09 0.53 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 1x38 n SER 398 Cb 0.62 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1x38 n SER 398 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1x38 n THR 399 N -1.60 0.00 -2.02 6.66 -2.24 -1.26 -5.00 114.28 108.81 1x38 n THR 399 Ca 0.02 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.10 1x38 n THR 399 Cb 0.10 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 69.41 1x38 n THR 399 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x38 s ASP 400 N -1.63 5.26 0.34 3.42 -0.00 -0.99 -4.99 116.67 118.08 1x38 s ASP 400 Ca 0.06 2.41 -0.29 0.00 -0.00 0.00 0.00 52.55 54.73 1x38 s ASP 400 Cb 0.07 -2.60 -0.11 0.00 -0.00 0.00 0.00 42.92 40.28 1x38 s ASP 400 CO 0.32 -1.55 1.54 0.00 -0.00 0.00 0.00 175.17 175.48 1x38 s ALA 401 N -1.57 3.65 0.24 5.23 0.00 -1.26 -4.94 121.76 123.12 1x38 s ALA 401 Ca 0.76 1.59 -0.31 0.00 0.00 0.00 0.00 51.96 54.00 1x38 s ALA 401 Cb -0.31 -3.63 -0.11 0.00 0.00 0.00 0.00 23.12 19.07 1x38 s ALA 401 CO 0.34 -1.04 1.58 -1.25 0.00 0.00 0.00 175.76 175.39 1x38 s PRO 402 N -1.43 4.17 0.05 0.00 0.04 -1.26 -4.75 135.00 131.82 1x38 s PRO 402 Ca 0.57 2.48 -0.19 0.00 0.04 0.00 0.00 61.00 63.90 1x38 s PRO 402 Cb -0.47 -3.08 -0.14 0.00 0.04 0.00 0.00 34.50 30.85 1x38 s PRO 402 CO 0.57 -0.61 1.34 1.25 0.04 0.00 0.00 177.00 179.60 1x38 h LEU 403 N 5.70 0.48 -9.65 -3.56 5.85 -1.91 -3.44 115.31 108.77 1x38 h LEU 403 Ca -0.45 -0.50 -0.65 0.00 0.84 0.00 0.00 57.88 57.11 1x38 h LEU 403 Cb 1.21 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 1x38 h LEU 403 CO 0.85 0.88 -0.41 -0.76 -0.34 0.00 0.00 178.44 178.66 1x38 s LEU 404 N -9.01 4.41 0.39 2.25 1.43 -1.26 -3.50 118.68 113.38 1x38 s LEU 404 Ca -0.14 0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 53.32 1x38 s LEU 404 Cb 0.06 -2.21 -0.09 0.00 0.03 0.00 0.00 46.19 43.98 1x38 s LEU 404 CO 0.78 0.39 1.02 -2.16 0.23 0.00 0.00 176.35 176.60 1x38 s PRO 405 N -1.05 4.24 0.43 1.29 0.04 -1.26 -5.00 135.00 133.70 1x38 s PRO 405 Ca 0.17 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.45 1x38 s PRO 405 Cb -0.13 -2.54 -0.10 0.00 0.04 0.00 0.00 34.50 31.77 1x38 s PRO 405 CO 0.07 -0.05 0.92 -0.51 0.04 0.00 0.00 177.00 177.46 1x38 s LEU 406 N -2.61 3.91 0.25 -3.56 1.43 0.46 -4.92 118.68 113.63 1x38 s LEU 406 Ca 0.57 1.60 -0.30 0.00 -1.03 0.00 0.00 54.13 54.98 1x38 s LEU 406 Cb -0.20 -4.46 -0.09 0.00 0.03 0.00 0.00 46.19 41.47 1x38 s LEU 406 CO 0.25 -0.37 1.03 -2.16 0.23 0.00 0.00 176.35 175.33 1x38 s PRO 407 N -3.29 4.72 0.45 1.29 0.04 -1.26 -4.47 135.00 132.47 1x38 s PRO 407 Ca 0.60 1.66 0.25 0.00 0.04 0.00 0.00 61.00 63.55 1x38 s PRO 407 Cb -0.09 -3.24 0.80 0.00 0.04 0.00 0.00 34.50 32.01 1x38 s PRO 407 CO 0.17 0.31 1.77 0.87 0.04 0.00 0.00 177.00 180.16 1x38 h LYS 408 N 4.17 0.00 -4.84 4.56 1.57 -1.93 -3.41 116.57 116.69 1x38 h LYS 408 Ca -0.46 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.65 1x38 h LYS 408 Cb 1.21 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.26 1x38 h LYS 408 CO 0.68 0.16 -0.63 0.21 -0.57 0.00 0.00 179.45 179.31 1x38 s LYS 409 N -3.48 3.22 0.00 3.15 2.20 -1.26 -1.16 119.74 122.42 1x38 s LYS 409 Ca 0.02 -0.77 -0.20 0.00 -0.36 0.00 0.00 55.97 54.66 1x38 s LYS 409 Cb 0.08 -3.34 0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1x38 s LYS 409 CO 0.63 -0.38 0.45 0.00 -0.36 0.00 0.00 175.35 175.69 1x38 s ALA 410 N 1.52 -1.15 0.19 3.13 0.00 -1.26 -5.06 121.76 119.13 1x38 s ALA 410 Ca 0.04 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1x38 s ALA 410 Cb -0.17 0.18 0.12 0.00 0.00 0.00 0.00 23.12 23.26 1x38 s ALA 410 CO 0.02 -0.38 1.83 -1.35 0.00 0.00 0.00 175.76 175.89 1x38 h PRO 411 N 3.26 0.69 -2.30 0.00 0.11 -1.94 -3.35 132.00 128.48 1x38 h PRO 411 Ca -0.30 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 1x38 h PRO 411 Cb 1.18 -0.16 -0.23 0.00 0.11 0.00 0.00 31.00 31.90 1x38 h PRO 411 CO 0.41 0.46 -0.09 0.21 -0.21 0.00 0.00 178.00 178.77 1x38 s LYS 412 N -6.14 0.60 0.13 1.05 2.20 -1.26 -1.91 119.74 114.42 1x38 s LYS 412 Ca -0.13 0.97 0.05 0.00 -0.36 0.00 0.00 55.97 56.51 1x38 s LYS 412 Cb 0.14 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 1x38 s LYS 412 CO 0.75 -0.13 -0.13 0.96 -0.36 0.00 0.00 175.35 176.44 1x38 s ILE 413 N 1.19 1.29 -0.12 5.43 -4.36 0.26 -0.36 121.20 124.54 1x38 s ILE 413 Ca -0.07 -1.85 -0.00 0.00 -0.26 0.00 0.00 60.65 58.46 1x38 s ILE 413 Cb -0.06 -1.65 -0.02 0.00 1.25 0.00 0.00 42.46 41.98 1x38 s ILE 413 CO -0.12 -0.54 -0.10 -0.22 0.24 0.00 0.00 174.94 174.20 1x38 s LEU 414 N -2.73 2.90 -0.13 0.37 2.96 -0.86 -1.04 118.68 120.14 1x38 s LEU 414 Ca 0.12 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1x38 s LEU 414 Cb -0.02 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 1x38 s LEU 414 CO 0.02 0.22 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.41 1x38 s VAL 415 N 0.06 2.69 0.21 1.68 1.01 0.33 -0.62 120.40 125.75 1x38 s VAL 415 Ca -0.03 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1x38 s VAL 415 Cb -0.14 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1x38 s VAL 415 CO 0.04 0.53 0.26 0.00 0.00 0.00 0.00 175.10 175.93 1x38 s ALA 416 N 0.46 0.52 0.00 5.51 0.00 -0.22 -1.86 121.76 126.18 1x38 s ALA 416 Ca -0.12 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1x38 s ALA 416 Cb -0.16 1.17 0.00 0.00 0.00 0.00 0.00 23.12 24.13 1x38 s ALA 416 CO 0.05 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1x38 n GLY 417 N -0.29 2.60 0.33 0.00 0.00 -0.05 -0.98 105.19 106.80 1x38 n GLY 417 Ca -0.01 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.39 1x38 n GLY 417 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x38 h SER 418 N 0.00 0.00 -0.25 1.61 4.64 -1.61 -2.64 113.55 115.30 1x38 h SER 418 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x38 h SER 418 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1x38 h SER 418 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1x38 n HIS 419 N -3.47 0.32 0.13 4.77 8.25 -0.27 -4.54 115.22 120.39 1x38 n HIS 419 Ca -0.01 -0.22 -0.02 0.00 -0.26 0.00 0.00 57.72 57.20 1x38 n HIS 419 Cb 0.21 -0.01 0.17 0.00 1.12 0.00 0.00 29.99 31.49 1x38 n HIS 419 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x38 h ALA 420 N 3.22 0.97 -1.55 -1.41 0.00 -1.52 -3.36 119.26 115.61 1x38 h ALA 420 Ca 0.00 -0.54 -0.43 0.00 0.00 0.00 0.00 54.91 53.94 1x38 h ALA 420 Cb 0.77 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.07 1x38 h ALA 420 CO 0.00 0.74 -1.18 -3.47 0.00 0.00 0.00 179.25 175.33 1x38 n ASP 421 N -3.85 1.02 -3.44 0.00 2.03 -1.26 -0.22 116.55 110.83 1x38 n ASP 421 Ca -0.02 -2.89 -0.22 0.00 0.52 0.00 0.00 54.79 52.18 1x38 n ASP 421 Cb 0.60 -0.54 -0.11 0.00 -0.72 0.00 0.00 41.12 40.35 1x38 n ASP 421 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1x38 s ASN 422 N -2.69 2.27 0.16 1.67 3.04 -1.26 -4.95 114.94 113.19 1x38 s ASN 422 Ca 0.34 -1.38 -0.15 0.00 0.04 0.00 0.00 52.86 51.72 1x38 s ASN 422 Cb 0.39 0.13 0.04 0.00 -1.54 0.00 0.00 41.25 40.27 1x38 s ASN 422 CO -0.03 -0.35 1.78 0.25 -3.04 0.00 0.00 177.10 175.71 1x38 h LEU 423 N 7.75 0.60 -0.84 3.21 5.85 -1.92 -2.06 115.31 127.91 1x38 h LEU 423 Ca -0.06 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1x38 h LEU 423 Cb 1.03 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 1x38 h LEU 423 CO 0.31 0.50 0.52 1.23 -0.34 0.00 0.00 178.44 180.66 1x38 h GLY 424 N 0.65 1.27 1.26 3.75 0.00 -1.06 -1.93 103.07 107.01 1x38 h GLY 424 Ca 0.17 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 1x38 h GLY 424 CO -0.03 0.25 -0.03 -0.97 0.00 0.00 0.00 176.54 175.75 1x38 h TYR 425 N 0.94 0.96 0.00 5.60 0.99 -1.54 -1.42 116.97 122.50 1x38 h TYR 425 Ca 0.37 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.94 1x38 h TYR 425 Cb 0.18 -0.25 0.00 0.00 1.00 0.00 0.00 36.73 37.66 1x38 h TYR 425 CO -0.04 0.89 0.00 -0.56 -0.00 0.00 0.00 178.16 178.45 1x38 h GLN 426 N 0.82 0.00 0.03 4.88 3.07 -0.80 -3.12 115.11 119.99 1x38 h GLN 426 Ca 0.15 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.59 1x38 h GLN 426 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.06 1x38 h GLN 426 CO 0.03 0.00 -1.67 0.00 0.09 0.00 0.00 178.83 177.28 1x38 n GLY 428 N 1.62 -0.76 3.52 0.00 0.00 -0.56 -4.71 105.19 104.30 1x38 n GLY 428 Ca -0.18 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 1x38 n GLY 428 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x38 s GLY 429 N -1.81 1.55 -1.38 -0.02 0.00 -1.24 -3.84 107.32 100.59 1x38 s GLY 429 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 1x38 s GLY 429 CO 0.00 0.54 0.64 0.79 0.00 0.00 0.00 173.10 175.07 1x38 n TRP 430 N -4.81 -1.86 -3.63 1.90 7.02 -0.39 -4.71 117.44 110.97 1x38 n TRP 430 Ca 0.03 0.82 -0.25 0.00 -1.02 0.00 0.00 57.50 57.07 1x38 n TRP 430 Cb 0.55 -4.09 -0.17 0.00 -2.42 0.00 0.00 31.31 25.18 1x38 n TRP 430 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1x38 s THR 431 N -3.72 -0.05 0.00 -0.99 2.01 -1.25 -4.72 115.64 106.92 1x38 s THR 431 Ca 0.10 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1x38 s THR 431 Cb -0.05 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.90 1x38 s THR 431 CO 0.84 -0.23 0.00 -0.38 -0.69 0.00 0.00 174.62 174.17 1x38 n ILE 432 N 5.27 0.00 -3.96 1.82 2.08 0.49 -4.19 119.36 120.86 1x38 n ILE 432 Ca -0.07 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.03 1x38 n ILE 432 Cb 0.49 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.34 1x38 n ILE 432 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1x38 s GLU 433 N 0.00 2.95 0.16 0.38 0.41 -1.26 -3.80 118.70 117.55 1x38 s GLU 433 Ca 0.00 -1.08 -0.19 0.00 -0.41 0.00 0.00 54.97 53.29 1x38 s GLU 433 Cb 0.00 -2.60 0.08 0.00 -1.78 0.00 0.00 34.13 29.83 1x38 s GLU 433 CO 0.00 0.30 1.64 2.35 -0.49 0.00 0.00 175.26 179.06 1x38 h TRP 434 N 1.34 -0.47 -0.20 1.61 7.01 -1.86 -2.15 115.95 121.22 1x38 h TRP 434 Ca -0.48 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.56 1x38 h TRP 434 Cb 1.24 0.26 0.00 0.00 -2.10 0.00 0.00 29.16 28.57 1x38 h TRP 434 CO 0.53 -0.27 0.00 1.04 -2.79 0.00 0.00 178.44 176.95 1x38 n GLN 435 N -5.36 1.62 0.00 2.65 1.13 -1.26 -1.26 117.38 114.89 1x38 n GLN 435 Ca 0.01 -0.95 0.00 0.00 -1.94 0.00 0.00 57.00 54.13 1x38 n GLN 435 Cb 0.27 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.32 1x38 n GLN 435 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x38 n GLY 436 N 1.01 -1.28 3.84 1.08 0.00 -0.81 -3.22 105.19 105.81 1x38 n GLY 436 Ca 0.13 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 1x38 n GLY 436 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x38 s ASP 437 N -4.00 -0.04 0.00 1.61 2.15 -1.26 -4.62 116.67 110.51 1x38 s ASP 437 Ca 0.00 -0.72 0.00 0.00 0.43 0.00 0.00 52.55 52.27 1x38 s ASP 437 Cb 0.00 0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 43.16 1x38 s ASP 437 CO 0.00 -1.14 0.06 0.28 -0.17 0.00 0.00 175.17 174.20 1x38 s THR 438 N -2.50 4.58 0.00 1.71 -1.32 -1.26 -3.75 115.64 113.10 1x38 s THR 438 Ca 0.18 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1x38 s THR 438 Cb -0.03 -3.09 0.00 0.00 -1.51 0.00 0.00 72.50 67.87 1x38 s THR 438 CO 0.06 0.34 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 1x38 n GLY 439 N 1.19 -0.93 3.46 6.08 0.00 -1.26 -4.65 105.19 109.09 1x38 n GLY 439 Ca -0.13 -1.51 -0.44 0.00 0.00 0.00 0.00 46.02 43.94 1x38 n GLY 439 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x38 s ARG 440 N 0.00 4.06 0.09 1.61 3.52 -1.26 -0.64 118.95 126.33 1x38 s ARG 440 Ca 0.00 -2.53 0.24 0.00 -0.13 0.00 0.00 55.73 53.31 1x38 s ARG 440 Cb 0.00 -5.06 0.34 0.00 -1.56 0.00 0.00 34.95 28.67 1x38 s ARG 440 CO 0.00 -1.77 1.30 0.25 -0.81 0.00 0.00 175.30 174.27 1x38 n THR 441 N 4.69 0.27 -3.22 4.11 -2.24 -1.26 -4.98 114.28 111.65 1x38 n THR 441 Ca 0.36 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.90 1x38 n THR 441 Cb 0.43 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1x38 n THR 441 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1x38 n THR 442 N -1.99 0.00 -3.07 4.28 5.66 -1.26 -4.90 114.28 113.00 1x38 n THR 442 Ca 0.03 -0.18 -0.40 0.00 -3.05 0.00 0.00 64.05 60.46 1x38 n THR 442 Cb 0.42 0.16 -0.05 0.00 -1.55 0.00 0.00 70.33 69.31 1x38 n THR 442 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1x38 s VAL 443 N -2.79 5.05 -0.01 1.08 1.01 -1.26 -4.95 120.40 118.52 1x38 s VAL 443 Ca 0.03 1.39 -0.07 0.00 0.00 0.00 0.00 61.98 63.34 1x38 s VAL 443 Cb -0.01 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.38 1x38 s VAL 443 CO 0.02 0.24 0.30 0.61 0.00 0.00 0.00 175.10 176.27 1x38 n GLY 444 N 3.18 0.41 2.81 4.51 0.00 -1.26 -4.87 105.19 109.97 1x38 n GLY 444 Ca -0.01 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1x38 n GLY 444 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x38 s THR 445 N -2.05 0.66 0.97 2.61 2.01 0.22 -5.02 115.64 115.03 1x38 s THR 445 Ca 0.07 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 61.69 1x38 s THR 445 Cb -0.00 -0.88 0.17 0.00 0.01 0.00 0.00 72.50 71.81 1x38 s THR 445 CO -0.00 0.15 1.17 0.42 -0.69 0.00 0.00 174.62 175.66 1x38 s THR 446 N 1.84 1.93 0.20 -0.82 -4.23 -1.26 -1.00 115.64 112.30 1x38 s THR 446 Ca 0.03 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.44 1x38 s THR 446 Cb -0.14 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 71.08 1x38 s THR 446 CO -0.07 0.00 1.80 0.40 -0.54 0.00 0.00 174.62 176.22 1x38 h ILE 447 N -1.69 1.24 -0.08 2.99 2.04 -1.76 0.22 117.51 120.46 1x38 h ILE 447 Ca -0.48 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1x38 h ILE 447 Cb 1.31 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1x38 h ILE 447 CO 0.53 0.27 0.05 0.25 0.00 0.00 0.00 178.15 179.25 1x38 h LEU 448 N 1.05 0.08 -1.04 1.44 5.85 -0.96 0.45 115.31 122.19 1x38 h LEU 448 Ca 0.26 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1x38 h LEU 448 Cb 0.09 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1x38 h LEU 448 CO -0.04 0.06 0.53 -0.33 -0.34 0.00 0.00 178.44 178.33 1x38 h GLU 449 N 0.10 1.19 -0.53 1.25 5.08 -1.75 -1.62 114.58 118.31 1x38 h GLU 449 Ca 0.03 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1x38 h GLU 449 Cb -0.01 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1x38 h GLU 449 CO -0.01 0.83 0.02 0.00 -1.00 0.00 0.00 179.01 178.85 1x38 h ALA 450 N 1.37 0.72 -0.05 3.43 0.00 -0.46 -1.31 119.26 122.95 1x38 h ALA 450 Ca 0.32 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1x38 h ALA 450 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1x38 h ALA 450 CO -0.06 0.52 0.00 0.28 0.00 0.00 0.00 179.25 179.99 1x38 h VAL 451 N 0.80 0.97 -0.49 0.00 2.07 -0.47 -1.73 116.25 117.41 1x38 h VAL 451 Ca 0.15 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1x38 h VAL 451 Cb 0.50 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1x38 h VAL 451 CO 0.02 0.00 0.32 0.11 0.02 0.00 0.00 177.57 178.05 1x38 h LYS 452 N 0.02 0.54 0.00 1.57 1.57 -1.15 -1.17 116.57 117.95 1x38 h LYS 452 Ca 0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1x38 h LYS 452 Cb 0.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1x38 h LYS 452 CO -0.04 0.36 0.00 0.00 -0.57 0.00 0.00 179.45 179.20 1x38 h ALA 453 N 1.72 1.00 0.03 3.86 0.00 -0.84 -3.35 119.26 121.67 1x38 h ALA 453 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.72 1x38 h ALA 453 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1x38 h ALA 453 CO -0.05 0.00 -2.37 0.00 0.00 0.00 0.00 179.25 176.83 1x38 n ALA 454 N -2.01 1.32 -1.53 0.00 0.00 -0.53 -5.02 120.51 112.74 1x38 n ALA 454 Ca 0.03 -1.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.16 1x38 n ALA 454 Cb 0.42 -0.23 0.05 0.00 0.00 0.00 0.00 19.45 19.69 1x38 n ALA 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1x38 s VAL 455 N -2.53 3.72 0.54 0.00 -7.23 -0.69 -4.97 120.40 109.24 1x38 s VAL 455 Ca -0.32 0.66 -0.21 0.00 -1.81 0.00 0.00 61.98 60.30 1x38 s VAL 455 Cb 0.08 -3.26 -0.07 0.00 0.56 0.00 0.00 36.38 33.70 1x38 s VAL 455 CO 0.64 -0.63 1.07 -0.67 -0.31 0.00 0.00 175.10 175.20 1x38 n ASP 456 N -2.78 1.36 0.29 4.85 2.03 -0.31 -4.89 116.55 117.10 1x38 n ASP 456 Ca 0.09 0.91 0.18 0.00 0.52 0.00 0.00 54.79 56.48 1x38 n ASP 456 Cb 0.53 -1.42 0.97 0.00 -0.72 0.00 0.00 41.12 40.47 1x38 n ASP 456 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1x38 h PRO 457 N 1.02 0.00 0.00 -0.67 0.13 -1.94 -1.02 132.00 129.51 1x38 h PRO 457 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1x38 h PRO 457 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x38 h PRO 457 CO 0.54 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.18 1x38 n SER 458 N -3.59 0.07 -4.65 1.44 3.41 -1.26 -4.80 113.62 104.23 1x38 n SER 458 Ca -0.02 0.51 -0.41 0.00 -0.26 0.00 0.00 58.87 58.69 1x38 n SER 458 Cb 0.15 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 1x38 n SER 458 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x38 s THR 459 N -3.01 4.92 -0.13 6.66 -1.32 -0.39 -4.77 115.64 117.60 1x38 s THR 459 Ca 0.14 1.41 -0.29 0.00 -1.21 0.00 0.00 61.69 61.73 1x38 s THR 459 Cb 0.18 -4.04 -0.01 0.00 -1.51 0.00 0.00 72.50 67.12 1x38 s THR 459 CO 0.53 0.02 0.99 -0.69 -2.21 0.00 0.00 174.62 173.25 1x38 s VAL 460 N 2.36 4.78 -0.24 5.08 1.01 -0.80 -4.90 120.40 127.69 1x38 s VAL 460 Ca 0.33 1.99 -0.07 0.00 0.00 0.00 0.00 61.98 64.23 1x38 s VAL 460 Cb -0.16 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1x38 s VAL 460 CO 0.10 -0.02 0.05 -0.69 0.00 0.00 0.00 175.10 174.54 1x38 s VAL 461 N 2.19 4.16 -0.16 2.92 1.01 -1.26 -0.57 120.40 128.69 1x38 s VAL 461 Ca 0.46 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1x38 s VAL 461 Cb -0.18 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1x38 s VAL 461 CO 0.15 0.36 -0.01 -0.69 0.00 0.00 0.00 175.10 174.91 1x38 s VAL 462 N 1.52 4.14 -0.17 2.92 1.01 -0.21 -4.99 120.40 124.61 1x38 s VAL 462 Ca 0.06 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1x38 s VAL 462 Cb -0.15 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1x38 s VAL 462 CO 0.02 0.49 0.03 0.12 0.00 0.00 0.00 175.10 175.76 1x38 s PHE 463 N 0.31 3.18 -0.06 5.22 5.36 -1.26 -0.51 117.98 130.21 1x38 s PHE 463 Ca -0.02 -0.05 -0.02 0.00 -0.96 0.00 0.00 56.93 55.88 1x38 s PHE 463 Cb -0.14 -2.03 0.03 0.00 -0.34 0.00 0.00 43.02 40.54 1x38 s PHE 463 CO 0.02 0.10 0.07 0.00 -1.46 0.00 0.00 175.22 173.95 1x38 s ALA 464 N 0.34 0.23 0.16 11.12 0.00 -0.78 -4.99 121.76 127.85 1x38 s ALA 464 Ca 0.01 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.99 1x38 s ALA 464 Cb -0.13 -0.68 0.05 0.00 0.00 0.00 0.00 23.12 22.36 1x38 s ALA 464 CO 0.01 -0.58 1.70 1.49 0.00 0.00 0.00 175.76 178.38 1x38 h GLU 465 N 8.43 0.82 -1.52 0.00 4.81 -1.85 -3.19 114.58 122.08 1x38 h GLU 465 Ca -0.12 -0.17 -0.48 0.00 -0.13 0.00 0.00 59.36 58.46 1x38 h GLU 465 Cb 1.12 -0.12 -0.33 0.00 0.63 0.00 0.00 28.75 30.05 1x38 h GLU 465 CO 0.17 0.74 -0.96 -1.71 -0.73 0.00 0.00 179.01 176.52 1x38 n ASN 466 N -4.48 -0.59 -4.78 1.04 5.15 -1.26 -0.87 115.26 109.46 1x38 n ASN 466 Ca 0.02 -2.84 -0.35 0.00 -0.60 0.00 0.00 54.58 50.81 1x38 n ASN 466 Cb 0.18 -0.03 -0.02 0.00 -0.53 0.00 0.00 39.78 39.38 1x38 n ASN 466 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1x38 s PRO 467 N -0.70 3.69 0.69 1.20 0.04 -1.26 -5.04 135.00 133.62 1x38 s PRO 467 Ca 0.34 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.85 1x38 s PRO 467 Cb 0.18 -2.17 0.05 0.00 0.04 0.00 0.00 34.50 32.60 1x38 s PRO 467 CO -0.14 -0.55 1.01 0.16 0.04 0.00 0.00 177.00 177.51 1x38 s ASP 468 N -1.75 4.90 0.26 6.66 1.47 -1.26 -4.74 116.67 122.21 1x38 s ASP 468 Ca 0.67 0.50 -0.03 0.00 1.18 0.00 0.00 52.55 54.88 1x38 s ASP 468 Cb -0.22 -1.19 0.42 0.00 -0.34 0.00 0.00 42.92 41.59 1x38 s ASP 468 CO 0.26 -1.54 1.85 0.00 0.68 0.00 0.00 175.17 176.42 1x38 h ALA 469 N -0.57 1.33 -0.45 2.11 0.00 -1.97 -2.49 119.26 117.23 1x38 h ALA 469 Ca -0.45 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1x38 h ALA 469 Cb 1.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1x38 h ALA 469 CO 0.61 0.30 0.03 1.49 0.00 0.00 0.00 179.25 181.68 1x38 h GLU 470 N 1.03 0.77 -0.64 0.00 4.81 -1.93 -1.30 114.58 117.32 1x38 h GLU 470 Ca 0.43 -0.23 0.12 0.00 -0.13 0.00 0.00 59.36 59.55 1x38 h GLU 470 Cb 0.27 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.48 1x38 h GLU 470 CO -0.20 0.82 0.16 0.35 -0.73 0.00 0.00 179.01 179.40 1x38 h PHE 471 N 0.63 0.25 0.01 0.92 3.57 -1.83 -0.10 116.94 120.39 1x38 h PHE 471 Ca 0.13 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1x38 h PHE 471 Cb 0.45 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1x38 h PHE 471 CO 0.03 -0.02 -0.00 0.28 -2.23 0.00 0.00 178.31 176.37 1x38 h VAL 472 N 0.29 1.32 -0.61 1.41 2.07 -1.30 -2.24 116.25 117.18 1x38 h VAL 472 Ca 0.34 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1x38 h VAL 472 Cb 0.51 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1x38 h VAL 472 CO -0.42 0.25 0.40 0.11 0.02 0.00 0.00 177.57 177.94 1x38 h LYS 473 N -0.44 0.67 -0.01 1.57 1.57 -0.95 -2.34 116.57 116.65 1x38 h LYS 473 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1x38 h LYS 473 Cb 0.43 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1x38 h LYS 473 CO 0.00 0.45 -0.30 0.43 -0.57 0.00 0.00 179.45 179.46 1x38 n SER 474 N -4.47 1.05 0.09 0.86 7.64 -0.07 -4.50 113.62 114.21 1x38 n SER 474 Ca 0.08 -0.88 0.13 0.00 1.01 0.00 0.00 58.87 59.20 1x38 n SER 474 Cb 0.15 0.17 0.45 0.00 -1.01 0.00 0.00 64.21 63.98 1x38 n SER 474 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x38 n GLY 475 N 1.36 -1.54 2.59 0.23 0.00 -0.84 -4.93 105.19 102.05 1x38 n GLY 475 Ca 0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1x38 n GLY 475 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x38 n GLY 476 N 0.98 -0.17 3.80 -0.02 0.00 -1.26 -5.00 105.19 103.52 1x38 n GLY 476 Ca 0.05 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1x38 n GLY 476 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x38 s PHE 477 N -2.95 3.68 0.04 1.61 0.40 -1.26 -4.54 117.98 114.96 1x38 s PHE 477 Ca 0.19 1.50 -0.13 0.00 -0.60 0.00 0.00 56.93 57.89 1x38 s PHE 477 Cb -0.08 -2.70 -0.34 0.00 0.51 0.00 0.00 43.02 40.41 1x38 s PHE 477 CO 0.23 0.32 1.04 0.77 0.70 0.00 0.00 175.22 178.28 1x38 h SER 478 N 3.42 0.73 -5.29 1.36 0.02 -1.08 -3.48 113.55 109.23 1x38 h SER 478 Ca -0.48 -0.78 0.15 0.00 -0.84 0.00 0.00 61.79 59.85 1x38 h SER 478 Cb 1.19 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 63.43 1x38 h SER 478 CO 0.65 1.61 0.46 -0.72 -1.14 0.00 0.00 176.83 177.69 1x38 s TYR 479 N -2.63 -0.09 0.05 3.45 -0.85 -1.26 -4.65 117.35 111.38 1x38 s TYR 479 Ca -0.08 -0.27 0.04 0.00 -0.52 0.00 0.00 57.07 56.25 1x38 s TYR 479 Cb 0.05 0.67 -0.02 0.00 0.38 0.00 0.00 41.96 43.03 1x38 s TYR 479 CO 0.93 -0.93 -0.12 0.00 -1.52 0.00 0.00 175.55 173.92 1x38 s ALA 480 N -3.13 0.97 -0.19 9.51 0.00 -0.29 -2.03 121.76 126.59 1x38 s ALA 480 Ca 0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 1x38 s ALA 480 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1x38 s ALA 480 CO 0.04 0.12 -0.08 0.42 0.00 0.00 0.00 175.76 176.26 1x38 s ILE 481 N -1.16 3.17 -0.12 0.00 1.01 0.21 -0.96 121.20 123.36 1x38 s ILE 481 Ca -0.03 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1x38 s ILE 481 Cb -0.09 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 39.99 1x38 s ILE 481 CO 0.01 0.47 -0.16 0.54 0.00 0.00 0.00 174.94 175.80 1x38 s VAL 482 N 1.11 1.61 -0.15 2.92 0.11 -0.17 -1.06 120.40 124.77 1x38 s VAL 482 Ca 0.01 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.37 1x38 s VAL 482 Cb -0.15 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.24 1x38 s VAL 482 CO -0.02 0.46 -0.19 0.00 -3.33 0.00 0.00 175.10 172.03 1x38 s ALA 483 N 1.04 2.38 0.22 1.54 0.00 -0.15 -0.17 121.76 126.62 1x38 s ALA 483 Ca -0.05 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 1x38 s ALA 483 Cb -0.15 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1x38 s ALA 483 CO -0.03 -0.03 0.28 0.14 0.00 0.00 0.00 175.76 176.12 1x38 s VAL 484 N 0.81 0.00 -5.00 0.00 -7.23 -0.72 -1.12 120.40 107.14 1x38 s VAL 484 Ca -0.06 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1x38 s VAL 484 Cb -0.15 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1x38 s VAL 484 CO -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1x38 n GLY 485 N -0.32 0.03 3.83 2.32 0.00 -1.26 -0.67 105.19 109.12 1x38 n GLY 485 Ca 0.01 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 1x38 n GLY 485 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x38 s GLU 486 N -2.00 3.69 0.52 1.61 2.02 -0.13 -4.23 118.70 120.19 1x38 s GLU 486 Ca 0.00 1.05 -0.07 0.00 0.02 0.00 0.00 54.97 55.97 1x38 s GLU 486 Cb 0.00 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 1x38 s GLU 486 CO 0.00 -0.49 0.85 -1.01 0.02 0.00 0.00 175.26 174.63 1x38 s HIS 487 N -2.57 3.58 0.40 1.61 3.76 -1.26 -4.85 115.29 115.96 1x38 s HIS 487 Ca 0.61 0.93 -0.27 0.00 -0.15 0.00 0.00 55.06 56.18 1x38 s HIS 487 Cb -0.12 -2.41 -0.10 0.00 1.11 0.00 0.00 32.58 31.06 1x38 s HIS 487 CO 0.34 -0.38 1.46 -2.30 -0.85 0.00 0.00 174.74 173.01 1x38 n PRO 488 N -2.38 2.50 -3.60 8.40 -0.02 -1.26 -4.92 135.00 133.73 1x38 n PRO 488 Ca 0.02 0.88 -0.11 0.00 -2.02 0.00 0.00 63.50 62.28 1x38 n PRO 488 Cb 0.55 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1x38 n PRO 488 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1x38 s TYR 489 N -1.14 -0.31 -0.11 6.00 1.13 -1.20 -4.83 117.35 116.89 1x38 s TYR 489 Ca 0.56 0.02 -0.08 0.00 -1.41 0.00 0.00 57.07 56.16 1x38 s TYR 489 Cb -0.47 0.46 0.03 0.00 -1.10 0.00 0.00 41.96 40.88 1x38 s TYR 489 CO 0.62 -0.87 0.27 0.99 -2.51 0.00 0.00 175.55 174.05 1x38 s THR 490 N -3.81 -0.01 0.00 -3.49 2.01 -1.26 -3.60 115.64 105.47 1x38 s THR 490 Ca 0.05 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1x38 s THR 490 Cb -0.01 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.10 1x38 s THR 490 CO -0.08 0.02 0.00 -0.62 -0.69 0.00 0.00 174.62 173.25 1x38 n GLU 491 N 3.43 0.00 0.08 4.92 1.02 -1.25 -2.81 120.64 126.03 1x38 n GLU 491 Ca -0.17 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.00 1x38 n GLU 491 Cb 0.56 0.00 0.41 0.00 -0.02 0.00 0.00 31.44 32.40 1x38 n GLU 491 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1x38 h THR 492 N 0.00 1.14 -0.00 2.62 2.02 -1.94 -0.04 112.91 116.70 1x38 h THR 492 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1x38 h THR 492 Cb 0.00 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1x38 h THR 492 CO 0.00 0.18 0.01 0.11 0.37 0.00 0.00 175.52 176.19 1x38 h LYS 493 N 0.35 0.00 0.00 6.66 1.79 -1.92 -1.48 116.57 121.97 1x38 h LYS 493 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1x38 h LYS 493 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1x38 h LYS 493 CO 0.00 0.00 -0.57 0.41 -1.08 0.00 0.00 179.45 178.21 1x38 n GLY 494 N -1.15 -1.28 3.72 3.86 0.00 -0.03 -4.82 105.19 105.48 1x38 n GLY 494 Ca -0.03 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1x38 n GLY 494 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x38 n ASP 495 N -1.68 3.68 -3.34 1.61 9.92 -0.56 -3.73 116.55 122.45 1x38 n ASP 495 Ca 0.05 1.11 -0.03 0.00 -0.53 0.00 0.00 54.79 55.39 1x38 n ASP 495 Cb 0.37 -1.55 -0.05 0.00 -0.64 0.00 0.00 41.12 39.25 1x38 n ASP 495 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1x38 s ASN 496 N 0.72 -0.62 0.12 -2.24 3.84 -0.40 -4.90 114.94 111.46 1x38 s ASN 496 Ca 0.69 0.73 0.26 0.00 0.21 0.00 0.00 52.86 54.75 1x38 s ASN 496 Cb -0.54 1.69 0.74 0.00 -0.55 0.00 0.00 41.25 42.59 1x38 s ASN 496 CO 0.43 -0.27 1.64 0.18 -2.79 0.00 0.00 177.10 176.29 1x38 n LEU 497 N 5.40 0.58 -0.05 3.21 4.77 -1.26 -4.18 117.00 125.47 1x38 n LEU 497 Ca -0.04 0.40 -0.03 0.00 -0.03 0.00 0.00 56.01 56.31 1x38 n LEU 497 Cb 0.50 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1x38 n LEU 497 CO 0.03 -0.07 -0.85 -0.46 -1.33 0.00 0.00 177.39 174.71 1x38 n ASN 498 N -1.97 1.81 -4.11 -1.43 0.23 -1.26 -4.94 115.26 103.58 1x38 n ASN 498 Ca 0.05 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.77 1x38 n ASN 498 Cb 0.40 1.05 -0.02 0.00 -2.08 0.00 0.00 39.78 39.13 1x38 n ASN 498 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1x38 n LEU 499 N -2.34 -1.97 -4.62 -4.53 4.77 -1.26 -4.76 117.00 102.29 1x38 n LEU 499 Ca -0.16 -0.97 -0.34 0.00 -0.03 0.00 0.00 56.01 54.51 1x38 n LEU 499 Cb 0.77 -2.20 -0.11 0.00 -2.33 0.00 0.00 43.42 39.55 1x38 n LEU 499 CO 0.28 0.35 -0.34 0.42 -1.33 0.00 0.00 177.39 176.77 1x38 s THR 500 N -3.42 4.03 0.47 -5.08 -4.23 -1.26 -0.44 115.64 105.72 1x38 s THR 500 Ca 0.59 -0.35 -0.22 0.00 -1.18 0.00 0.00 61.69 60.54 1x38 s THR 500 Cb -0.32 -2.69 -0.08 0.00 1.34 0.00 0.00 72.50 70.76 1x38 s THR 500 CO 0.90 0.58 1.11 0.27 -0.54 0.00 0.00 174.62 176.95 1x38 s ILE 501 N -0.65 3.37 0.69 2.99 -4.36 -1.26 -4.97 121.20 117.01 1x38 s ILE 501 Ca 0.10 0.95 -0.16 0.00 -0.26 0.00 0.00 60.65 61.28 1x38 s ILE 501 Cb -0.12 -3.44 0.02 0.00 1.25 0.00 0.00 42.46 40.17 1x38 s ILE 501 CO 0.02 -0.09 1.23 -2.16 0.24 0.00 0.00 174.94 174.19 1x38 s PRO 502 N -2.90 2.33 0.06 0.37 0.04 -1.26 -4.90 135.00 128.73 1x38 s PRO 502 Ca 0.65 1.85 -0.00 0.00 0.04 0.00 0.00 61.00 63.54 1x38 s PRO 502 Cb -0.24 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1x38 s PRO 502 CO 0.29 -1.71 0.21 -1.21 0.04 0.00 0.00 177.00 174.61 1x38 s GLU 503 N -3.70 3.43 0.08 4.56 0.41 -1.26 -3.49 118.70 118.72 1x38 s GLU 503 Ca 0.77 -0.44 -0.30 0.00 -0.41 0.00 0.00 54.97 54.59 1x38 s GLU 503 Cb -0.32 -3.04 -0.05 0.00 -1.78 0.00 0.00 34.13 28.95 1x38 s GLU 503 CO 0.42 0.61 0.98 -1.25 -0.49 0.00 0.00 175.26 175.54 1x38 s PRO 504 N -2.46 4.64 0.00 0.39 0.04 -1.26 -5.11 135.00 131.24 1x38 s PRO 504 Ca 0.34 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1x38 s PRO 504 Cb -0.13 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1x38 s PRO 504 CO 0.27 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.84 1x38 n GLY 505 N 2.47 -1.09 0.30 0.56 0.00 -1.23 -4.68 105.19 101.53 1x38 n GLY 505 Ca 0.04 0.25 0.04 0.00 0.00 0.00 0.00 46.02 46.34 1x38 n GLY 505 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x38 h LEU 506 N 0.00 0.62 -0.79 0.99 5.85 -1.91 -1.29 115.31 118.78 1x38 h LEU 506 Ca 0.00 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1x38 h LEU 506 Cb 0.00 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1x38 h LEU 506 CO 0.00 0.33 0.34 0.77 -0.34 0.00 0.00 178.44 179.54 1x38 h SER 507 N 0.73 1.08 -0.24 1.25 4.64 -1.96 0.18 113.55 119.23 1x38 h SER 507 Ca 0.41 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1x38 h SER 507 Cb 0.44 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1x38 h SER 507 CO -0.28 0.94 0.07 0.74 -0.87 0.00 0.00 176.83 177.44 1x38 h THR 508 N 1.14 1.19 -0.50 2.95 2.02 -1.74 -0.71 112.91 117.27 1x38 h THR 508 Ca 0.27 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.87 1x38 h THR 508 Cb 0.18 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1x38 h THR 508 CO -0.03 0.20 0.28 0.58 0.37 0.00 0.00 175.52 176.92 1x38 h VAL 509 N 0.21 1.01 -0.78 3.16 2.07 -0.93 -0.55 116.25 120.44 1x38 h VAL 509 Ca 0.08 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1x38 h VAL 509 Cb 0.23 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1x38 h VAL 509 CO -0.00 0.10 0.40 1.56 0.02 0.00 0.00 177.57 179.65 1x38 h GLN 510 N 0.55 1.11 -0.28 1.57 4.20 -0.78 0.35 115.11 121.82 1x38 h GLN 510 Ca 0.21 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1x38 h GLN 510 Cb 0.06 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1x38 h GLN 510 CO -0.12 0.84 0.06 0.00 -0.67 0.00 0.00 178.83 178.95 1x38 h ALA 511 N 1.21 0.37 0.19 3.87 0.00 -0.73 -1.86 119.26 122.30 1x38 h ALA 511 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1x38 h ALA 511 Cb 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1x38 h ALA 511 CO -0.04 0.04 -0.09 0.28 0.00 0.00 0.00 179.25 179.44 1x38 h VAL 512 N 0.28 0.87 0.00 0.00 2.07 -0.98 -3.23 116.25 115.26 1x38 h VAL 512 Ca 0.09 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1x38 h VAL 512 Cb 0.31 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1x38 h VAL 512 CO 0.00 0.20 -0.17 0.00 0.02 0.00 0.00 177.57 177.62 1x38 h GLY 514 N 0.93 0.00 0.00 0.00 0.00 -1.38 -3.30 103.07 99.31 1x38 h GLY 514 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1x38 h GLY 514 CO 0.02 0.00 -1.83 0.61 0.00 0.00 0.00 176.54 175.34 1x38 n GLY 515 N -0.36 -0.74 3.45 4.60 0.00 -0.45 -5.00 105.19 106.68 1x38 n GLY 515 Ca -0.01 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 1x38 n GLY 515 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x38 s VAL 516 N -2.89 0.00 0.38 1.61 0.11 -0.86 -4.51 120.40 114.24 1x38 s VAL 516 Ca -0.06 -0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 58.67 1x38 s VAL 516 Cb 0.09 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.82 1x38 s VAL 516 CO 0.66 -0.02 1.50 -0.13 -3.33 0.00 0.00 175.10 173.77 1x38 s ARG 517 N -2.82 4.10 0.01 1.54 0.52 -1.26 -4.19 118.95 116.85 1x38 s ARG 517 Ca -0.03 2.59 0.01 0.00 -0.52 0.00 0.00 55.73 57.78 1x38 s ARG 517 Cb -0.01 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.49 1x38 s ARG 517 CO -0.05 -0.55 -0.05 0.00 0.02 0.00 0.00 175.30 174.68 1x38 s ALA 519 N -0.45 3.20 -0.18 0.00 0.00 -0.14 -2.07 121.76 122.12 1x38 s ALA 519 Ca -0.02 -1.28 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 1x38 s ALA 519 Cb -0.04 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1x38 s ALA 519 CO -0.00 -0.72 0.43 0.99 0.00 0.00 0.00 175.76 176.47 1x38 s THR 520 N 1.60 5.19 -0.32 0.00 2.01 0.03 -1.00 115.64 123.14 1x38 s THR 520 Ca 0.05 0.81 -0.08 0.00 0.31 0.00 0.00 61.69 62.78 1x38 s THR 520 Cb -0.16 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.60 1x38 s THR 520 CO 0.05 0.27 0.12 -0.69 -0.69 0.00 0.00 174.62 173.67 1x38 s VAL 521 N 1.12 4.15 -0.31 3.82 1.01 0.76 -0.61 120.40 130.33 1x38 s VAL 521 Ca 0.22 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 1x38 s VAL 521 Cb -0.15 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1x38 s VAL 521 CO 0.08 -0.03 0.36 -0.22 0.00 0.00 0.00 175.10 175.29 1x38 s LEU 522 N 1.51 4.26 -0.31 3.92 2.96 0.36 -1.76 118.68 129.61 1x38 s LEU 522 Ca 0.02 -0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.79 1x38 s LEU 522 Cb -0.18 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 1x38 s LEU 522 CO 0.04 -0.27 0.22 -0.63 -1.32 0.00 0.00 176.35 174.39 1x38 s ILE 523 N 2.03 5.26 0.18 6.68 -1.09 0.15 -0.96 121.20 133.45 1x38 s ILE 523 Ca 0.13 -0.07 -0.20 0.00 -2.23 0.00 0.00 60.65 58.28 1x38 s ILE 523 Cb -0.16 -3.62 0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1x38 s ILE 523 CO 0.11 0.10 0.56 -0.94 -1.23 0.00 0.00 174.94 173.54 1x38 s SER 524 N 1.73 -0.37 0.00 3.58 1.04 -0.54 -0.95 113.70 118.19 1x38 s SER 524 Ca 0.06 -0.30 0.22 0.00 0.48 0.00 0.00 55.95 56.42 1x38 s SER 524 Cb -0.17 0.59 0.61 0.00 0.10 0.00 0.00 66.02 67.15 1x38 s SER 524 CO 0.10 -1.03 1.48 0.61 0.98 0.00 0.00 173.24 175.39 1x38 n GLY 525 N -0.35 0.83 3.60 7.32 0.00 -1.26 -3.21 105.19 112.12 1x38 n GLY 525 Ca -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1x38 n GLY 525 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x38 s ARG 526 N -1.71 0.12 0.38 1.61 1.70 -1.26 -2.92 118.95 116.88 1x38 s ARG 526 Ca 0.34 -0.06 -0.27 0.00 -0.47 0.00 0.00 55.73 55.28 1x38 s ARG 526 Cb 0.20 0.05 -0.11 0.00 -0.57 0.00 0.00 34.95 34.52 1x38 s ARG 526 CO 0.29 -0.06 1.34 -2.30 -1.08 0.00 0.00 175.30 173.49 1x38 n PRO 527 N -0.25 2.20 -4.27 3.89 -0.02 -1.26 -5.02 135.00 130.27 1x38 n PRO 527 Ca -0.02 0.78 -0.14 0.00 -2.02 0.00 0.00 63.50 62.09 1x38 n PRO 527 Cb 0.60 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 1x38 n PRO 527 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1x38 s VAL 528 N -1.14 0.70 -0.13 -1.45 -7.23 -1.26 -5.00 120.40 104.89 1x38 s VAL 528 Ca 0.57 -1.99 -0.35 0.00 -1.81 0.00 0.00 61.98 58.40 1x38 s VAL 528 Cb -0.52 -2.25 -0.12 0.00 0.56 0.00 0.00 36.38 34.05 1x38 s VAL 528 CO 0.61 -0.36 1.89 0.52 -0.31 0.00 0.00 175.10 177.44 1x38 n VAL 529 N -0.31 0.54 0.00 1.32 0.31 0.41 -4.82 118.33 115.78 1x38 n VAL 529 Ca -0.05 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1x38 n VAL 529 Cb 0.64 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1x38 n VAL 529 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1x38 n VAL 530 N 5.24 0.00 -0.18 2.52 3.14 -1.26 -4.76 118.33 123.02 1x38 n VAL 530 Ca 0.24 -0.22 -0.01 0.00 -2.96 0.00 0.00 64.34 61.39 1x38 n VAL 530 Cb 0.28 0.79 0.08 0.00 -1.06 0.00 0.00 33.84 33.92 1x38 n VAL 530 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1x38 h GLN 531 N 0.00 0.11 -0.92 1.45 7.50 -1.92 0.37 115.11 121.69 1x38 h GLN 531 Ca 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 1x38 h GLN 531 Cb 0.00 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.46 1x38 h GLN 531 CO 0.00 0.07 0.52 -1.35 -1.50 0.00 0.00 178.83 176.57 1x38 h PRO 532 N 0.11 1.28 -0.43 1.46 0.11 -2.00 0.66 132.00 133.19 1x38 h PRO 532 Ca 0.28 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1x38 h PRO 532 Cb 0.44 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1x38 h PRO 532 CO -0.47 0.92 0.21 -0.07 -0.21 0.00 0.00 178.00 178.37 1x38 h LEU 533 N 1.29 0.56 -0.27 2.35 3.38 -1.73 -2.83 115.31 118.06 1x38 h LEU 533 Ca 0.33 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1x38 h LEU 533 Cb 0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1x38 h LEU 533 CO -0.06 0.53 -0.00 -0.07 0.09 0.00 0.00 178.44 178.93 1x38 h LEU 534 N 0.55 -0.11 -1.24 1.67 4.07 -0.59 -2.59 115.31 117.07 1x38 h LEU 534 Ca 0.15 0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.26 1x38 h LEU 534 Cb 0.12 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 1x38 h LEU 534 CO -0.02 -0.03 0.56 0.00 -1.08 0.00 0.00 178.44 177.87 1x38 h ALA 535 N 1.23 1.65 0.00 1.53 0.00 -0.75 -2.16 119.26 120.75 1x38 h ALA 535 Ca 0.13 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1x38 h ALA 535 Cb 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1x38 h ALA 535 CO -0.22 0.19 -0.85 0.00 0.00 0.00 0.00 179.25 178.38 1x38 h ALA 536 N 1.56 0.59 -2.69 0.00 0.00 -1.33 -3.47 119.26 113.91 1x38 h ALA 536 Ca 0.39 -0.77 -0.61 0.00 0.00 0.00 0.00 54.91 53.92 1x38 h ALA 536 Cb 0.37 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1x38 h ALA 536 CO -0.16 1.06 -0.32 -1.12 0.00 0.00 0.00 179.25 178.71 1x38 s SER 537 N -6.75 6.57 -0.04 0.00 0.01 -0.82 -4.73 113.70 107.95 1x38 s SER 537 Ca 0.00 0.68 -0.25 0.00 1.31 0.00 0.00 55.95 57.69 1x38 s SER 537 Cb 0.11 -2.14 -0.21 0.00 0.21 0.00 0.00 66.02 63.99 1x38 s SER 537 CO 0.80 0.24 1.12 0.44 0.41 0.00 0.00 173.24 176.25 1x38 h ASP 538 N 4.03 0.15 -4.23 2.44 3.32 -1.79 -3.43 116.42 116.91 1x38 h ASP 538 Ca -0.50 -0.67 -0.48 0.00 0.02 0.00 0.00 57.03 55.41 1x38 h ASP 538 Cb 1.20 -0.04 -0.21 0.00 0.22 0.00 0.00 39.33 40.50 1x38 h ASP 538 CO 0.65 0.79 -0.79 0.00 -1.72 0.00 0.00 179.24 178.17 1x38 s ALA 539 N -3.55 1.52 -0.03 3.45 0.00 -0.88 0.36 121.76 122.63 1x38 s ALA 539 Ca -0.16 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 1x38 s ALA 539 Cb 0.01 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1x38 s ALA 539 CO 0.72 0.23 0.07 -1.17 0.00 0.00 0.00 175.76 175.61 1x38 s LEU 540 N -1.99 1.13 -0.14 0.00 0.20 -0.50 -0.79 118.68 116.59 1x38 s LEU 540 Ca 0.04 0.14 0.03 0.00 0.69 0.00 0.00 54.13 55.02 1x38 s LEU 540 Cb -0.09 0.12 0.01 0.00 -0.43 0.00 0.00 46.19 45.80 1x38 s LEU 540 CO 0.03 -0.11 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.08 1x38 s VAL 541 N 0.86 2.05 -0.52 1.68 1.01 0.22 -0.85 120.40 124.85 1x38 s VAL 541 Ca -0.07 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.69 1x38 s VAL 541 Cb -0.10 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.51 1x38 s VAL 541 CO -0.03 0.55 0.97 0.00 0.00 0.00 0.00 175.10 176.59 1x38 s ALA 542 N 0.80 3.17 -2.48 5.51 0.00 0.10 -0.49 121.76 128.37 1x38 s ALA 542 Ca -0.07 -1.02 0.24 0.00 0.00 0.00 0.00 51.96 51.11 1x38 s ALA 542 Cb -0.16 -3.74 0.32 0.00 0.00 0.00 0.00 23.12 19.54 1x38 s ALA 542 CO -0.02 -2.30 1.31 0.00 0.00 0.00 0.00 175.76 174.76 1x38 n ALA 543 N 7.49 2.90 -0.72 0.00 0.00 -0.13 -1.13 120.51 128.90 1x38 n ALA 543 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1x38 n ALA 543 Cb 0.48 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1x38 n ALA 543 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1x38 n TRP 544 N 0.51 0.00 -3.85 0.00 7.02 -1.23 -3.59 117.44 116.30 1x38 n TRP 544 Ca 0.13 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.33 1x38 n TRP 544 Cb 0.49 0.01 -0.12 0.00 -2.42 0.00 0.00 31.31 29.27 1x38 n TRP 544 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1x38 s LEU 545 N 0.00 4.31 0.09 -0.99 1.43 -1.20 -1.47 118.68 120.85 1x38 s LEU 545 Ca 0.00 -3.59 0.20 0.00 -1.03 0.00 0.00 54.13 49.71 1x38 s LEU 545 Cb 0.00 -1.49 0.83 0.00 0.03 0.00 0.00 46.19 45.56 1x38 s LEU 545 CO 0.00 -0.12 1.63 -0.81 0.23 0.00 0.00 176.35 177.28 1x38 n PRO 546 N 2.30 0.08 0.00 1.29 -0.04 -1.02 -1.76 135.00 135.86 1x38 n PRO 546 Ca 0.18 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1x38 n PRO 546 Cb 0.36 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1x38 n PRO 546 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x38 n GLY 547 N 0.33 -1.46 0.19 0.55 0.00 -0.87 -3.06 105.19 100.88 1x38 n GLY 547 Ca 0.04 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.42 1x38 n GLY 547 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x38 h SER 548 N 0.46 0.00 -3.29 1.61 4.64 -1.42 -3.39 113.55 112.15 1x38 h SER 548 Ca 0.00 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.53 1x38 h SER 548 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 1x38 h SER 548 CO 0.00 0.00 0.53 -0.62 -0.87 0.00 0.00 176.83 175.87 1x38 n GLU 549 N -2.76 3.82 0.25 4.77 -0.58 -1.26 -0.61 120.64 124.27 1x38 n GLU 549 Ca 0.03 -4.50 0.17 0.00 -0.42 0.00 0.00 57.16 52.44 1x38 n GLU 549 Cb 0.40 -2.52 0.85 0.00 -0.57 0.00 0.00 31.44 29.60 1x38 n GLU 549 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1x38 h GLY 550 N 6.12 0.00 2.00 0.62 0.00 -1.29 -1.37 103.07 109.15 1x38 h GLY 550 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1x38 h GLY 550 CO 1.12 0.00 -0.02 1.46 0.00 0.00 0.00 176.54 179.10 1x38 h GLN 551 N 0.00 0.00 -0.78 4.80 4.20 -1.84 -1.32 115.11 120.17 1x38 h GLN 551 Ca 0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1x38 h GLN 551 Cb 0.11 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1x38 h GLN 551 CO 0.00 0.02 0.51 0.78 -0.67 0.00 0.00 178.83 179.47 1x38 h GLY 552 N 0.72 1.04 0.54 3.46 0.00 -1.42 0.84 103.07 108.25 1x38 h GLY 552 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1x38 h GLY 552 CO 0.00 0.20 -0.01 -2.08 0.00 0.00 0.00 176.54 174.65 1x38 h VAL 553 N 0.76 1.32 0.00 4.60 2.07 -1.45 -3.25 116.25 120.31 1x38 h VAL 553 Ca 0.35 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1x38 h VAL 553 Cb 0.37 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1x38 h VAL 553 CO -0.13 0.27 -0.30 0.71 0.02 0.00 0.00 177.57 178.14 1x38 h THR 554 N -0.49 0.86 -0.83 2.57 1.35 -1.47 -1.61 112.91 113.29 1x38 h THR 554 Ca -0.00 -1.22 0.11 0.00 -0.55 0.00 0.00 66.41 64.75 1x38 h THR 554 Cb 0.47 1.74 -0.06 0.00 -1.73 0.00 0.00 68.15 68.56 1x38 h THR 554 CO 0.00 0.30 0.54 0.44 -0.25 0.00 0.00 175.52 176.56 1x38 h ASP 555 N 0.00 0.67 0.14 5.36 3.45 -0.86 -1.34 116.42 123.83 1x38 h ASP 555 Ca -0.00 0.02 -0.32 0.00 0.43 0.00 0.00 57.03 57.16 1x38 h ASP 555 Cb 0.71 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.37 1x38 h ASP 555 CO 0.04 0.38 -1.64 0.00 -1.57 0.00 0.00 179.24 176.45 1x38 h ALA 556 N 1.59 0.23 -0.86 3.45 0.00 -1.52 -0.57 119.26 121.58 1x38 h ALA 556 Ca 0.40 -1.17 0.05 0.00 0.00 0.00 0.00 54.91 54.19 1x38 h ALA 556 Cb 0.53 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1x38 h ALA 556 CO -0.16 0.98 0.56 -0.07 0.00 0.00 0.00 179.25 180.56 1x38 h LEU 557 N -0.13 0.87 -2.35 0.00 3.38 -1.02 -2.33 115.31 113.73 1x38 h LEU 557 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1x38 h LEU 557 Cb 1.91 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1x38 h LEU 557 CO 0.09 0.57 0.00 0.49 0.09 0.00 0.00 178.44 179.68 1x38 n PHE 558 N -4.47 0.71 -1.10 1.13 3.01 -0.53 -0.41 117.46 115.80 1x38 n PHE 558 Ca 0.12 -0.35 -0.04 0.00 1.01 0.00 0.00 57.45 58.19 1x38 n PHE 558 Cb 0.17 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.63 1x38 n PHE 558 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x38 n GLY 559 N 1.53 0.65 0.27 1.37 0.00 -0.88 -4.66 105.19 103.47 1x38 n GLY 559 Ca 0.21 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.48 1x38 n GLY 559 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x38 h ASP 560 N 0.00 0.35 -4.61 1.61 3.45 -1.39 0.19 116.42 116.02 1x38 h ASP 560 Ca -0.07 -0.04 -0.24 0.00 0.43 0.00 0.00 57.03 57.10 1x38 h ASP 560 Cb 0.25 -0.09 -0.16 0.00 -0.56 0.00 0.00 39.33 38.77 1x38 h ASP 560 CO 0.11 0.37 -0.71 -0.36 -1.57 0.00 0.00 179.24 177.07 1x38 s PHE 561 N -5.08 0.87 0.45 4.55 0.40 -0.80 -4.77 117.98 113.59 1x38 s PHE 561 Ca -0.07 -0.80 -0.12 0.00 -0.60 0.00 0.00 56.93 55.34 1x38 s PHE 561 Cb 0.16 -0.50 -0.06 0.00 0.51 0.00 0.00 43.02 43.13 1x38 s PHE 561 CO 0.73 -0.12 0.83 0.20 0.70 0.00 0.00 175.22 177.57 1x38 s GLY 562 N -2.69 1.93 0.21 4.36 0.00 -1.26 -4.40 107.32 105.48 1x38 s GLY 562 Ca 0.07 -0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.36 1x38 s GLY 562 CO -0.03 0.09 1.32 -1.36 0.00 0.00 0.00 173.10 173.12 1x38 s PHE 563 N -2.49 3.22 0.00 1.90 0.40 -1.24 -4.86 117.98 114.91 1x38 s PHE 563 Ca 0.53 1.21 0.00 0.00 -0.60 0.00 0.00 56.93 58.07 1x38 s PHE 563 Cb -0.10 -3.63 0.00 0.00 0.51 0.00 0.00 43.02 39.80 1x38 s PHE 563 CO 0.33 -1.97 0.00 0.25 0.70 0.00 0.00 175.22 174.54 1x38 n THR 564 N 2.46 0.00 -1.80 0.64 -2.24 -1.26 -3.60 114.28 108.47 1x38 n THR 564 Ca 0.06 -0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.38 1x38 n THR 564 Cb 0.42 0.67 0.04 0.00 -2.10 0.00 0.00 70.33 69.37 1x38 n THR 564 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x38 s GLY 565 N -0.31 2.88 0.00 3.38 0.00 -1.09 -4.99 107.32 107.19 1x38 s GLY 565 Ca 0.00 1.32 0.05 0.00 0.00 0.00 0.00 44.72 46.09 1x38 s GLY 565 CO 0.00 1.84 -0.16 0.50 0.00 0.00 0.00 173.10 175.28 1x38 s ARG 566 N -2.89 1.26 0.01 2.90 0.52 -0.77 -4.54 118.95 115.45 1x38 s ARG 566 Ca 0.71 -0.64 -0.36 0.00 -0.52 0.00 0.00 55.73 54.93 1x38 s ARG 566 Cb -0.40 -1.24 -0.14 0.00 0.52 0.00 0.00 34.95 33.69 1x38 s ARG 566 CO 0.47 0.33 1.64 1.28 0.02 0.00 0.00 175.30 179.04 1x38 n LEU 567 N 2.49 2.76 -0.54 2.53 4.77 0.09 -4.31 117.00 124.79 1x38 n LEU 567 Ca -0.15 1.06 0.11 0.00 -0.03 0.00 0.00 56.01 57.00 1x38 n LEU 567 Cb 0.54 -1.31 0.41 0.00 -2.33 0.00 0.00 43.42 40.73 1x38 n LEU 567 CO 0.24 -0.42 0.80 -0.81 -1.33 0.00 0.00 177.39 175.87 1x38 n PRO 568 N 4.42 1.73 -3.93 3.23 -0.04 -1.26 -0.33 135.00 138.81 1x38 n PRO 568 Ca 0.20 -1.08 -0.09 0.00 -0.04 0.00 0.00 63.50 62.49 1x38 n PRO 568 Cb 0.24 -1.42 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 1x38 n PRO 568 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x38 s ARG 569 N -1.84 0.66 0.25 0.54 0.52 -1.26 -2.91 118.95 114.91 1x38 s ARG 569 Ca 0.34 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.38 1x38 s ARG 569 Cb 0.18 0.26 -0.09 0.00 0.52 0.00 0.00 34.95 35.81 1x38 s ARG 569 CO 0.28 -0.17 1.32 0.99 0.02 0.00 0.00 175.30 177.74 1x38 s THR 570 N -3.10 2.98 -0.39 0.02 2.01 -1.26 -4.13 115.64 111.77 1x38 s THR 570 Ca -0.01 0.87 -0.14 0.00 0.31 0.00 0.00 61.69 62.72 1x38 s THR 570 Cb 0.02 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.98 1x38 s THR 570 CO -0.07 0.16 0.28 0.86 -0.69 0.00 0.00 174.62 175.16 1x38 s TRP 571 N -0.37 3.24 0.63 4.92 -0.11 -0.19 -4.83 118.94 122.22 1x38 s TRP 571 Ca 0.54 -0.47 -0.15 0.00 1.22 0.00 0.00 56.10 57.24 1x38 s TRP 571 Cb -0.38 -2.55 -0.01 0.00 -1.50 0.00 0.00 33.47 29.02 1x38 s TRP 571 CO 0.44 -0.51 1.09 -0.59 -4.62 0.00 0.00 176.95 172.75 1x38 s PHE 572 N 1.69 2.77 0.03 5.86 -0.12 -1.26 -0.29 117.98 126.68 1x38 s PHE 572 Ca 0.05 1.53 -0.16 0.00 -0.05 0.00 0.00 56.93 58.30 1x38 s PHE 572 Cb -0.18 -3.10 -0.29 0.00 -0.63 0.00 0.00 43.02 38.81 1x38 s PHE 572 CO 0.10 -1.46 1.07 0.87 -0.05 0.00 0.00 175.22 175.75 1x38 h LYS 573 N 0.17 0.56 -3.31 1.99 1.57 -1.88 -3.39 116.57 112.29 1x38 h LYS 573 Ca -0.47 -0.77 -0.07 0.00 -1.87 0.00 0.00 60.65 57.48 1x38 h LYS 573 Cb 1.24 0.26 -0.15 0.00 0.08 0.00 0.00 32.23 33.66 1x38 h LYS 573 CO 0.55 1.34 -0.13 -1.54 -0.57 0.00 0.00 179.45 179.11 1x38 s SER 574 N -7.32 -0.20 0.50 0.86 1.04 -1.26 -4.92 113.70 102.40 1x38 s SER 574 Ca -0.10 -0.23 0.28 0.00 0.48 0.00 0.00 55.95 56.37 1x38 s SER 574 Cb 0.05 0.43 1.24 0.00 0.10 0.00 0.00 66.02 67.84 1x38 s SER 574 CO 0.91 -0.75 1.96 -0.37 0.98 0.00 0.00 173.24 175.97 1x38 h VAL 575 N 2.71 0.43 0.00 5.02 -1.51 -1.92 -2.12 116.25 118.86 1x38 h VAL 575 Ca -0.33 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 1x38 h VAL 575 Cb 1.23 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.94 1x38 h VAL 575 CO 0.47 0.14 0.00 -0.90 -1.23 0.00 0.00 177.57 176.04 1x38 n ASP 576 N -3.40 0.00 0.24 4.19 5.68 -1.26 -1.56 116.55 120.45 1x38 n ASP 576 Ca -0.01 0.45 0.14 0.00 -0.50 0.00 0.00 54.79 54.87 1x38 n ASP 576 Cb 0.33 -0.47 0.37 0.00 -1.14 0.00 0.00 41.12 40.21 1x38 n ASP 576 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1x38 h GLN 577 N 0.00 0.00 -6.91 0.11 4.20 -1.81 -3.47 115.11 107.23 1x38 h GLN 577 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 1x38 h GLN 577 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1x38 h GLN 577 CO 0.00 0.00 0.40 -0.51 -0.67 0.00 0.00 178.83 178.05 1x38 s LEU 578 N -6.20 4.28 0.36 1.46 1.43 -0.60 -3.91 118.68 115.50 1x38 s LEU 578 Ca 0.05 2.01 -0.26 0.00 -1.03 0.00 0.00 54.13 54.89 1x38 s LEU 578 Cb 0.07 -4.03 -0.09 0.00 0.03 0.00 0.00 46.19 42.16 1x38 s LEU 578 CO 0.62 -0.29 1.06 -2.16 0.23 0.00 0.00 176.35 175.81 1x38 s PRO 579 N -2.17 4.33 -0.20 1.29 0.04 -1.26 -5.07 135.00 131.97 1x38 s PRO 579 Ca 0.53 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 1x38 s PRO 579 Cb -0.22 -2.77 0.10 0.00 0.04 0.00 0.00 34.50 31.64 1x38 s PRO 579 CO 0.28 -0.01 0.24 1.41 0.04 0.00 0.00 177.00 178.97 1x38 s MET 580 N -2.12 0.21 0.17 4.56 1.75 -1.25 -5.12 119.30 117.49 1x38 s MET 580 Ca 0.53 0.27 0.09 0.00 -1.25 0.00 0.00 55.69 55.33 1x38 s MET 580 Cb -0.25 -1.07 -0.04 0.00 2.84 0.00 0.00 34.83 36.31 1x38 s MET 580 CO 0.32 -0.64 -0.19 -0.80 -0.65 0.00 0.00 175.02 173.07 1x38 s ASN 581 N 2.36 2.77 0.25 1.11 -0.87 -1.26 -4.79 114.94 114.50 1x38 s ASN 581 Ca 0.07 -0.87 -0.30 0.00 -1.57 0.00 0.00 52.86 50.19 1x38 s ASN 581 Cb -0.16 -0.17 -0.14 0.00 -0.02 0.00 0.00 41.25 40.77 1x38 s ASN 581 CO -0.12 -0.02 1.18 1.33 -2.57 0.00 0.00 177.10 176.90 1x38 n VAL 582 N 0.25 1.44 -0.05 1.60 0.24 -1.26 -1.73 118.33 118.83 1x38 n VAL 582 Ca -0.13 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1x38 n VAL 582 Cb 0.57 -1.14 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 1x38 n VAL 582 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x38 n GLY 583 N 1.61 0.82 3.77 7.63 0.00 -1.26 -5.05 105.19 112.71 1x38 n GLY 583 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1x38 n GLY 583 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x38 s ASP 584 N -2.65 6.21 0.20 1.61 -0.00 -0.70 -4.94 116.67 116.39 1x38 s ASP 584 Ca 0.00 2.43 -0.11 0.00 -0.00 0.00 0.00 52.55 54.87 1x38 s ASP 584 Cb 0.00 -2.62 0.20 0.00 -0.00 0.00 0.00 42.92 40.50 1x38 s ASP 584 CO 0.00 -0.90 1.78 0.00 -0.00 0.00 0.00 175.17 176.05 1x38 h ALA 585 N 2.29 0.75 -2.07 5.23 0.00 -1.97 -3.30 119.26 120.20 1x38 h ALA 585 Ca -0.49 0.04 -0.75 0.00 0.00 0.00 0.00 54.91 53.70 1x38 h ALA 585 Cb 1.25 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.75 1x38 h ALA 585 CO 0.61 -0.08 -0.17 -3.38 0.00 0.00 0.00 179.25 176.23 1x38 s HIS 586 N -6.11 3.21 -0.24 0.00 0.00 -1.26 -5.01 115.29 105.88 1x38 s HIS 586 Ca -0.13 -1.23 -0.01 0.00 -3.00 0.00 0.00 55.06 50.70 1x38 s HIS 586 Cb 0.15 -3.82 0.07 0.00 -4.00 0.00 0.00 32.58 24.99 1x38 s HIS 586 CO 0.74 -1.06 0.02 -0.47 -1.00 0.00 0.00 174.74 172.98 1x38 s TYR 587 N 1.78 1.70 -0.45 0.38 5.04 -1.24 -4.85 117.35 119.70 1x38 s TYR 587 Ca 0.04 -1.42 0.09 0.00 -2.44 0.00 0.00 57.07 53.34 1x38 s TYR 587 Cb -0.29 -1.43 0.30 0.00 0.35 0.00 0.00 41.96 40.89 1x38 s TYR 587 CO 0.04 -0.74 0.68 -3.47 -1.34 0.00 0.00 175.55 170.72 1x38 n ASP 588 N 4.86 1.56 -4.82 4.32 2.03 -1.26 -5.10 116.55 118.13 1x38 n ASP 588 Ca -0.08 -3.05 -0.32 0.00 0.52 0.00 0.00 54.79 51.86 1x38 n ASP 588 Cb 0.45 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 40.23 1x38 n ASP 588 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x38 s PRO 589 N -2.11 3.38 0.02 -0.67 0.04 -1.26 -4.44 135.00 129.95 1x38 s PRO 589 Ca 0.39 1.06 -0.22 0.00 0.04 0.00 0.00 61.00 62.27 1x38 s PRO 589 Cb 0.24 -2.05 -0.16 0.00 0.04 0.00 0.00 34.50 32.57 1x38 s PRO 589 CO -0.09 -0.75 1.33 1.25 0.04 0.00 0.00 177.00 178.78 1x38 h LEU 590 N 0.20 0.23 -7.76 -3.56 5.85 -0.85 -3.45 115.31 105.98 1x38 h LEU 590 Ca -0.46 -0.47 -0.43 0.00 0.84 0.00 0.00 57.88 57.36 1x38 h LEU 590 Cb 1.21 -0.06 -0.34 0.00 0.37 0.00 0.00 40.66 41.83 1x38 h LEU 590 CO 0.58 0.65 -0.78 -0.36 -0.34 0.00 0.00 178.44 178.20 1x38 s PHE 591 N -4.35 0.88 0.72 1.25 0.40 -0.93 -5.02 117.98 110.93 1x38 s PHE 591 Ca -0.15 -0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 55.78 1x38 s PHE 591 Cb 0.04 -0.76 0.03 0.00 0.51 0.00 0.00 43.02 42.84 1x38 s PHE 591 CO 0.72 -0.23 1.10 -0.98 0.70 0.00 0.00 175.22 176.54 1x38 s ARG 592 N 0.98 2.50 0.25 0.44 1.70 -1.26 -1.02 118.95 122.53 1x38 s ARG 592 Ca -0.10 1.28 -0.31 0.00 -0.47 0.00 0.00 55.73 56.13 1x38 s ARG 592 Cb -0.14 -1.92 -0.13 0.00 -0.57 0.00 0.00 34.95 32.19 1x38 s ARG 592 CO -0.00 -1.47 1.45 -0.11 -1.08 0.00 0.00 175.30 174.09 1x38 n LEU 593 N -3.01 3.34 0.00 -1.89 0.00 -1.26 -1.95 117.00 112.22 1x38 n LEU 593 Ca 0.10 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.25 1x38 n LEU 593 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 43.42 42.49 1x38 n LEU 593 CO 0.51 -0.36 0.00 0.61 0.00 0.00 0.00 177.39 178.14 1x38 n GLY 594 N 2.20 0.74 3.77 -3.96 0.00 0.55 -4.96 105.19 103.53 1x38 n GLY 594 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1x38 n GLY 594 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x38 s TYR 595 N -2.25 3.01 -0.30 1.61 5.04 -0.82 -4.43 117.35 119.21 1x38 s TYR 595 Ca 0.00 1.37 -0.17 0.00 -2.44 0.00 0.00 57.07 55.83 1x38 s TYR 595 Cb 0.00 -3.71 0.21 0.00 0.35 0.00 0.00 41.96 38.80 1x38 s TYR 595 CO 0.00 -2.00 1.27 0.20 -1.34 0.00 0.00 175.55 173.68 1x38 s GLY 596 N -0.39 0.54 0.62 8.97 0.00 -1.26 -0.73 107.32 115.08 1x38 s GLY 596 Ca 0.50 3.80 -0.13 0.00 0.00 0.00 0.00 44.72 48.89 1x38 s GLY 596 CO 0.53 2.94 1.04 1.08 0.00 0.00 0.00 173.10 178.69 1x38 s LEU 597 N 1.32 3.32 0.26 0.66 1.43 -0.20 -4.96 118.68 120.51 1x38 s LEU 597 Ca -0.06 1.60 0.10 0.00 -1.03 0.00 0.00 54.13 54.75 1x38 s LEU 597 Cb -0.02 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.65 1x38 s LEU 597 CO -0.11 -1.09 -0.17 0.42 0.23 0.00 0.00 176.35 175.62 1x38 s THR 598 N -2.88 2.22 0.25 5.49 -4.23 -1.26 -4.29 115.64 110.94 1x38 s THR 598 Ca 0.59 -2.33 0.02 0.00 -1.18 0.00 0.00 61.69 58.79 1x38 s THR 598 Cb -0.13 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 1x38 s THR 598 CO 0.47 -0.44 0.06 0.42 -0.54 0.00 0.00 174.62 174.59 1x38 s THR 599 N -2.67 0.73 0.06 3.99 -4.23 -1.24 -4.88 115.64 107.40 1x38 s THR 599 Ca 0.28 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.83 1x38 s THR 599 Cb -0.03 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1x38 s THR 599 CO 0.13 -0.12 -0.04 0.20 -0.54 0.00 0.00 174.62 174.24 1x38 s ASN 600 N -3.31 4.76 0.28 3.99 0.02 -1.26 -3.62 114.94 115.80 1x38 s ASN 600 Ca 0.34 -0.20 -0.30 0.00 -1.02 0.00 0.00 52.86 51.68 1x38 s ASN 600 Cb 0.07 -1.09 -0.13 0.00 0.02 0.00 0.00 41.25 40.13 1x38 s ASN 600 CO 0.12 0.22 1.38 0.00 0.02 0.00 0.00 177.10 178.83 1x38 n ALA 601 N 0.97 1.30 0.21 0.60 0.00 -1.26 -4.67 120.51 117.67 1x38 n ALA 601 Ca -0.13 0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.72 1x38 n ALA 601 Cb 0.52 -2.28 0.10 0.00 0.00 0.00 0.00 19.45 17.79 1x38 n ALA 601 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75