#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wu9 s TYR 48 N 0.00 3.15 0.47 -1.77 5.04 -1.26 -4.92 117.35 118.07 2wu9 s TYR 48 Ca 0.00 1.12 0.39 0.00 -2.44 0.00 0.00 57.07 56.14 2wu9 s TYR 48 Cb 0.00 -3.70 2.00 0.00 0.35 0.00 0.00 41.96 40.61 2wu9 s TYR 48 CO 0.00 -2.26 2.23 0.78 -1.34 0.00 0.00 175.55 174.96 2wu9 h GLY 49 N 5.26 0.00 -0.59 8.97 0.00 -2.00 -2.24 103.07 112.46 2wu9 h GLY 49 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wu9 h GLY 49 CO 0.78 0.00 -0.16 1.22 0.00 0.00 0.00 176.54 178.38 2wu9 n ASP 50 N -3.18 1.71 -4.75 0.19 8.00 -1.26 -1.46 116.55 115.80 2wu9 n ASP 50 Ca -0.02 -1.40 -0.39 0.00 0.71 0.00 0.00 54.79 53.70 2wu9 n ASP 50 Cb 0.16 0.12 0.04 0.00 -0.02 0.00 0.00 41.12 41.42 2wu9 n ASP 50 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2wu9 n ASP 51 N 0.09 2.75 -4.61 -2.24 8.00 -0.84 -4.71 116.55 114.99 2wu9 n ASP 51 Ca 0.14 0.99 -0.41 0.00 0.71 0.00 0.00 54.79 56.22 2wu9 n ASP 51 Cb 0.42 -1.58 -0.06 0.00 -0.02 0.00 0.00 41.12 39.88 2wu9 n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wu9 s VAL 52 N -1.28 4.88 0.19 2.53 1.01 -1.26 -0.72 120.40 125.75 2wu9 s VAL 52 Ca 0.71 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.80 2wu9 s VAL 52 Cb -0.42 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2wu9 s VAL 52 CO 0.50 -0.17 -0.05 0.68 0.00 0.00 0.00 175.10 176.06 2wu9 s VAL 53 N 2.74 3.42 -0.25 2.92 -7.23 -0.15 -1.14 120.40 120.71 2wu9 s VAL 53 Ca 0.28 -1.60 -0.09 0.00 -1.81 0.00 0.00 61.98 58.77 2wu9 s VAL 53 Cb -0.15 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2wu9 s VAL 53 CO 0.12 -0.14 0.12 -0.63 -0.31 0.00 0.00 175.10 174.26 2wu9 s ILE 54 N -1.79 4.81 -0.73 -0.62 1.09 0.74 -1.21 121.20 123.50 2wu9 s ILE 54 Ca 0.27 -0.00 0.20 0.00 -1.10 0.00 0.00 60.65 60.01 2wu9 s ILE 54 Cb -0.09 -3.26 -0.24 0.00 -1.06 0.00 0.00 42.46 37.82 2wu9 s ILE 54 CO 0.17 0.31 0.75 1.33 -0.10 0.00 0.00 174.94 177.40 2wu9 n VAL 55 N 4.82 0.00 -3.57 2.92 0.24 -0.42 -0.56 118.33 121.75 2wu9 n VAL 55 Ca -0.15 -0.13 -0.15 0.00 -2.04 0.00 0.00 64.34 61.86 2wu9 n VAL 55 Cb 0.52 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 2wu9 n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wu9 s ALA 56 N -2.97 -1.80 -0.19 2.33 0.00 -1.23 -4.65 121.76 113.25 2wu9 s ALA 56 Ca 0.04 1.62 -0.08 0.00 0.00 0.00 0.00 51.96 53.55 2wu9 s ALA 56 Cb 0.14 -0.56 0.08 0.00 0.00 0.00 0.00 23.12 22.78 2wu9 s ALA 56 CO 0.81 -0.35 0.42 0.00 0.00 0.00 0.00 175.76 176.65 2wu9 s ALA 57 N -0.55 -1.12 0.16 0.00 0.00 -1.26 -0.87 121.76 118.11 2wu9 s ALA 57 Ca -0.06 1.52 -0.04 0.00 0.00 0.00 0.00 51.96 53.38 2wu9 s ALA 57 Cb -0.02 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 2wu9 s ALA 57 CO 0.05 -0.59 0.16 -1.01 0.00 0.00 0.00 175.76 174.38 2wu9 s HIS 58 N 2.20 0.73 0.08 0.00 3.76 -0.27 -4.75 115.29 117.04 2wu9 s HIS 58 Ca -0.04 -1.08 -0.11 0.00 -0.15 0.00 0.00 55.06 53.68 2wu9 s HIS 58 Cb -0.11 -0.32 0.01 0.00 1.11 0.00 0.00 32.58 33.28 2wu9 s HIS 58 CO -0.13 -0.63 0.26 -0.98 -0.85 0.00 0.00 174.74 172.41 2wu9 s ARG 59 N -4.04 0.87 0.75 1.40 1.70 -0.23 -0.97 118.95 118.42 2wu9 s ARG 59 Ca 0.24 -0.77 -0.11 0.00 -0.47 0.00 0.00 55.73 54.62 2wu9 s ARG 59 Cb 0.06 0.36 0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2wu9 s ARG 59 CO 0.03 -0.29 1.08 0.95 -1.08 0.00 0.00 175.30 175.99 2wu9 s THR 60 N -3.43 3.53 0.82 4.99 -4.23 -0.14 -0.17 115.64 117.02 2wu9 s THR 60 Ca 0.01 0.50 -0.14 0.00 -1.18 0.00 0.00 61.69 60.88 2wu9 s THR 60 Cb 0.02 -3.26 0.03 0.00 1.34 0.00 0.00 72.50 70.63 2wu9 s THR 60 CO -0.09 -0.65 0.72 -2.65 -0.54 0.00 0.00 174.62 171.42 2wu9 n PRO 61 N -3.27 0.07 -4.18 3.99 -0.02 -1.26 -4.71 135.00 125.62 2wu9 n PRO 61 Ca 0.07 0.08 -0.35 0.00 -2.02 0.00 0.00 63.50 61.29 2wu9 n PRO 61 Cb 0.55 -2.05 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 2wu9 n PRO 61 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wu9 s LEU 62 N -2.36 3.68 0.11 2.45 1.43 -1.26 -4.61 118.68 118.12 2wu9 s LEU 62 Ca 0.65 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.92 2wu9 s LEU 62 Cb -0.29 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2wu9 s LEU 62 CO 0.58 0.25 -0.19 0.00 0.23 0.00 0.00 176.35 177.22 2wu9 n LYS 64 N 0.99 2.77 -2.24 0.00 5.02 -1.26 -0.72 118.16 122.71 2wu9 n LYS 64 Ca -0.19 0.99 -0.36 0.00 -2.02 0.00 0.00 58.31 56.73 2wu9 n LYS 64 Cb 0.54 -2.81 -0.00 0.00 -0.02 0.00 0.00 35.03 32.74 2wu9 n LYS 64 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wu9 s SER 65 N 0.84 5.98 0.00 4.39 1.04 -0.08 -0.36 113.70 125.51 2wu9 s SER 65 Ca 0.69 2.28 0.00 0.00 0.48 0.00 0.00 55.95 59.40 2wu9 s SER 65 Cb -0.49 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.03 2wu9 s SER 65 CO 0.40 -1.04 0.00 0.29 0.98 0.00 0.00 173.24 173.87 2wu9 n LYS 66 N -0.79 0.00 -0.00 4.02 5.02 -1.26 -4.22 118.16 120.93 2wu9 n LYS 66 Ca 0.09 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.39 2wu9 n LYS 66 Cb 0.49 -0.13 -0.01 0.00 -0.02 0.00 0.00 35.03 35.36 2wu9 n LYS 66 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wu9 n ARG 67 N 0.00 4.84 -1.10 1.97 1.74 -1.25 -4.88 116.66 117.98 2wu9 n ARG 67 Ca 0.00 -0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2wu9 n ARG 67 Cb 0.00 -0.69 0.07 0.00 -1.02 0.00 0.00 32.46 30.82 2wu9 n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wu9 n GLY 68 N 1.40 -0.27 0.06 -0.13 0.00 0.51 -4.92 105.19 101.84 2wu9 n GLY 68 Ca 0.00 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.29 2wu9 n GLY 68 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wu9 n ASN 69 N -3.16 0.36 -1.21 1.61 3.02 -1.26 -1.54 115.26 113.08 2wu9 n ASN 69 Ca 0.07 0.58 0.09 0.00 -0.03 0.00 0.00 54.58 55.28 2wu9 n ASN 69 Cb 0.24 -0.66 0.29 0.00 -0.61 0.00 0.00 39.78 39.04 2wu9 n ASN 69 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2wu9 n PHE 70 N -1.88 1.08 0.32 3.10 3.72 -1.26 -4.63 117.46 117.91 2wu9 n PHE 70 Ca 0.03 -0.61 0.20 0.00 -0.05 0.00 0.00 57.45 57.03 2wu9 n PHE 70 Cb 0.23 -0.17 1.11 0.00 -0.94 0.00 0.00 39.48 39.72 2wu9 n PHE 70 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2wu9 h LYS 71 N 3.25 0.00 -0.21 -1.08 2.10 -1.56 -0.89 116.57 118.19 2wu9 h LYS 71 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2wu9 h LYS 71 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2wu9 h LYS 71 CO 0.14 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.34 2wu9 n ASP 72 N -3.35 3.23 -4.53 7.07 8.00 -1.26 -4.89 116.55 120.81 2wu9 n ASP 72 Ca -0.03 -2.72 -0.35 0.00 0.71 0.00 0.00 54.79 52.40 2wu9 n ASP 72 Cb 0.08 -0.41 -0.11 0.00 -0.02 0.00 0.00 41.12 40.66 2wu9 n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wu9 s THR 73 N -2.28 4.38 0.56 -3.53 2.01 -0.34 -4.82 115.64 111.62 2wu9 s THR 73 Ca 0.32 -0.17 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 2wu9 s THR 73 Cb 0.25 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 2wu9 s THR 73 CO 0.08 0.43 1.15 -0.31 -0.69 0.00 0.00 174.62 175.28 2wu9 s TYR 74 N 0.81 2.59 0.27 4.92 2.02 -1.26 -4.93 117.35 121.77 2wu9 s TYR 74 Ca 0.02 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.26 2wu9 s TYR 74 Cb -0.14 -3.34 0.54 0.00 -0.40 0.00 0.00 41.96 38.62 2wu9 s TYR 74 CO 0.02 -1.76 1.81 -1.35 -1.57 0.00 0.00 175.55 172.71 2wu9 h PRO 75 N 1.08 0.86 -0.04 -1.71 0.11 -1.97 -1.41 132.00 128.91 2wu9 h PRO 75 Ca -0.50 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 2wu9 h PRO 75 Cb 1.27 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wu9 h PRO 75 CO 0.56 0.57 -0.07 0.38 -0.21 0.00 0.00 178.00 179.24 2wu9 h ASP 76 N 0.89 0.05 0.62 -2.05 3.04 -1.92 -1.13 116.42 115.92 2wu9 h ASP 76 Ca 0.48 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 54.27 2wu9 h ASP 76 Cb 0.53 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 2wu9 h ASP 76 CO -0.29 0.13 -0.05 0.47 -2.04 0.00 0.00 179.24 177.46 2wu9 n ASP 77 N -4.42 0.12 0.04 4.15 8.00 -0.55 -1.17 116.55 122.72 2wu9 n ASP 77 Ca -0.02 -0.09 -0.22 0.00 0.71 0.00 0.00 54.79 55.17 2wu9 n ASP 77 Cb 0.17 -0.26 -0.14 0.00 -0.02 0.00 0.00 41.12 40.86 2wu9 n ASP 77 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2wu9 h LEU 78 N 0.11 0.51 0.04 0.64 3.38 -1.05 -3.40 115.31 115.55 2wu9 h LEU 78 Ca 0.00 -0.94 -0.23 0.00 0.09 0.00 0.00 57.88 56.79 2wu9 h LEU 78 Cb 0.36 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.96 2wu9 h LEU 78 CO 0.00 1.82 -0.94 0.25 0.09 0.00 0.00 178.44 179.66 2wu9 h LEU 79 N 0.06 0.76 -0.55 1.67 5.85 -1.34 -3.36 115.31 118.40 2wu9 h LEU 79 Ca -0.38 -0.78 0.08 0.00 0.84 0.00 0.00 57.88 57.64 2wu9 h LEU 79 Cb 2.05 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.78 2wu9 h LEU 79 CO 0.13 1.45 0.20 0.00 -0.34 0.00 0.00 178.44 179.88 2wu9 h ALA 80 N 0.33 0.69 -0.74 1.25 0.00 -1.36 -2.07 119.26 117.36 2wu9 h ALA 80 Ca -0.13 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2wu9 h ALA 80 Cb 1.62 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 2wu9 h ALA 80 CO 0.18 -0.20 0.49 -1.35 0.00 0.00 0.00 179.25 178.37 2wu9 h PRO 81 N 0.38 0.81 -0.01 0.00 0.11 -1.77 -0.16 132.00 131.36 2wu9 h PRO 81 Ca 0.27 -0.05 -0.23 0.00 0.11 0.00 0.00 66.00 66.10 2wu9 h PRO 81 Cb 0.31 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.24 2wu9 h PRO 81 CO -0.27 0.53 -0.94 0.28 -0.21 0.00 0.00 178.00 177.39 2wu9 h VAL 82 N 0.83 1.37 -0.36 3.15 2.07 -1.57 -1.49 116.25 120.25 2wu9 h VAL 82 Ca 0.31 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 65.45 2wu9 h VAL 82 Cb 0.17 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 2wu9 h VAL 82 CO -0.10 0.71 0.15 -0.07 0.02 0.00 0.00 177.57 178.29 2wu9 h LEU 83 N 0.29 0.49 -0.74 2.57 3.38 -0.97 -2.39 115.31 117.94 2wu9 h LEU 83 Ca -0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2wu9 h LEU 83 Cb 1.57 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 2wu9 h LEU 83 CO 0.17 0.51 0.41 -0.09 0.09 0.00 0.00 178.44 179.53 2wu9 h ARG 84 N 0.44 1.03 -0.93 1.13 2.43 -0.99 -2.72 114.38 114.77 2wu9 h ARG 84 Ca 0.12 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2wu9 h ARG 84 Cb 0.17 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2wu9 h ARG 84 CO -0.01 0.77 0.62 0.00 -1.51 0.00 0.00 179.97 179.83 2wu9 h ALA 85 N 1.21 1.34 -0.72 2.80 0.00 -1.02 -0.70 119.26 122.17 2wu9 h ALA 85 Ca 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wu9 h ALA 85 Cb 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2wu9 h ALA 85 CO -0.04 0.60 0.43 -0.07 0.00 0.00 0.00 179.25 180.18 2wu9 h LEU 86 N 1.25 0.87 0.00 0.00 3.38 -1.11 -1.05 115.31 118.65 2wu9 h LEU 86 Ca 0.34 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 58.05 2wu9 h LEU 86 Cb -0.13 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 2wu9 h LEU 86 CO -0.08 0.68 -1.09 0.16 0.09 0.00 0.00 178.44 178.20 2wu9 h ILE 87 N 0.98 1.29 -0.23 1.22 3.07 -1.43 -3.11 117.51 119.30 2wu9 h ILE 87 Ca 0.26 -2.95 -0.06 0.00 1.55 0.00 0.00 64.86 63.66 2wu9 h ILE 87 Cb -0.03 2.62 -0.01 0.00 -0.27 0.00 0.00 36.82 39.13 2wu9 h ILE 87 CO -0.05 0.74 -0.10 -0.33 -1.05 0.00 0.00 178.15 177.36 2wu9 h GLU 88 N 0.00 0.48 0.00 0.16 5.08 -0.97 -1.18 114.58 118.15 2wu9 h GLU 88 Ca -0.08 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 2wu9 h GLU 88 Cb 1.73 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 2wu9 h GLU 88 CO 0.10 0.74 -0.16 0.87 -1.00 0.00 0.00 179.01 179.56 2wu9 h LYS 89 N 0.20 0.00 -0.02 2.33 1.57 -1.28 -2.74 116.57 116.63 2wu9 h LYS 89 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2wu9 h LYS 89 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2wu9 h LYS 89 CO 0.03 0.16 -0.11 0.25 -0.57 0.00 0.00 179.45 179.21 2wu9 n THR 90 N -3.34 0.00 -3.85 -0.16 -2.24 -1.17 -4.98 114.28 98.53 2wu9 n THR 90 Ca 0.00 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.04 2wu9 n THR 90 Cb 0.38 1.31 0.03 0.00 -2.10 0.00 0.00 70.33 69.96 2wu9 n THR 90 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wu9 n ASN 91 N 0.64 -4.95 -4.70 3.42 3.02 -0.51 -4.95 115.26 107.23 2wu9 n ASN 91 Ca 0.09 -0.73 -0.37 0.00 -0.03 0.00 0.00 54.58 53.54 2wu9 n ASN 91 Cb 0.41 -3.95 -0.08 0.00 -0.61 0.00 0.00 39.78 35.55 2wu9 n ASN 91 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wu9 s LEU 92 N -7.24 4.19 0.04 3.41 2.96 -0.84 -5.05 118.68 116.15 2wu9 s LEU 92 Ca 0.65 0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 54.65 2wu9 s LEU 92 Cb -0.32 -2.33 -0.08 0.00 0.50 0.00 0.00 46.19 43.96 2wu9 s LEU 92 CO 0.80 0.06 1.82 0.20 -1.32 0.00 0.00 176.35 177.90 2wu9 s ASN 93 N 0.72 6.52 0.62 3.68 0.01 -1.26 -4.80 114.94 120.43 2wu9 s ASN 93 Ca 0.14 2.56 0.37 0.00 -0.71 0.00 0.00 52.86 55.23 2wu9 s ASN 93 Cb -0.13 -2.54 2.09 0.00 0.41 0.00 0.00 41.25 41.07 2wu9 s ASN 93 CO 0.04 -0.99 2.29 1.55 -1.51 0.00 0.00 177.10 178.49 2wu9 h PRO 94 N 9.55 0.00 -0.09 -0.60 0.13 -1.95 -1.49 132.00 137.56 2wu9 h PRO 94 Ca -0.45 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2wu9 h PRO 94 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wu9 h PRO 94 CO 0.94 0.01 0.10 0.77 -0.23 0.00 0.00 178.00 179.59 2wu9 h SER 95 N 0.00 0.00 0.75 1.44 0.02 -1.94 -2.08 113.55 111.74 2wu9 h SER 95 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wu9 h SER 95 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2wu9 h SER 95 CO 0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 2wu9 n GLU 96 N -3.85 0.11 -2.61 3.45 1.02 -0.56 -4.75 120.64 113.45 2wu9 n GLU 96 Ca -0.01 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 2wu9 n GLU 96 Cb 0.20 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 2wu9 n GLU 96 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wu9 s VAL 97 N -2.87 4.59 0.03 2.62 1.01 -0.78 -4.58 120.40 120.42 2wu9 s VAL 97 Ca 0.16 1.88 0.10 0.00 0.00 0.00 0.00 61.98 64.12 2wu9 s VAL 97 Cb 0.17 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 2wu9 s VAL 97 CO 0.44 0.01 1.35 1.23 0.00 0.00 0.00 175.10 178.13 2wu9 h GLY 98 N 8.05 0.00 -4.06 4.51 0.00 -0.90 -3.44 103.07 107.22 2wu9 h GLY 98 Ca -0.32 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.04 2wu9 h GLY 98 CO 0.86 0.00 0.39 -0.35 0.00 0.00 0.00 176.54 177.45 2wu9 s ASP 99 N -6.62 -0.48 -0.24 0.19 2.15 -1.26 -4.49 116.67 105.91 2wu9 s ASP 99 Ca 0.02 0.44 -0.02 0.00 0.43 0.00 0.00 52.55 53.42 2wu9 s ASP 99 Cb 0.09 0.41 0.02 0.00 -0.30 0.00 0.00 42.92 43.15 2wu9 s ASP 99 CO 0.79 -0.51 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.59 2wu9 s ILE 100 N -1.55 2.90 -0.23 4.11 1.01 -0.70 -1.30 121.20 125.44 2wu9 s ILE 100 Ca -0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.60 2wu9 s ILE 100 Cb -0.00 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 40.02 2wu9 s ILE 100 CO 0.02 0.23 -0.04 -0.69 0.00 0.00 0.00 174.94 174.46 2wu9 s VAL 101 N 1.34 3.27 -0.24 2.92 1.01 0.22 -1.10 120.40 127.82 2wu9 s VAL 101 Ca 0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 2wu9 s VAL 101 Cb -0.16 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2wu9 s VAL 101 CO -0.05 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 174.67 2wu9 s VAL 102 N 1.45 2.96 -0.13 2.92 1.01 0.16 -0.23 120.40 128.53 2wu9 s VAL 102 Ca 0.05 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 2wu9 s VAL 102 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2wu9 s VAL 102 CO -0.04 0.25 1.06 -0.83 0.00 0.00 0.00 175.10 175.54 2wu9 s GLY 103 N 1.36 2.15 -0.19 4.51 0.00 0.65 -1.27 107.32 114.52 2wu9 s GLY 103 Ca 0.01 0.38 -0.27 0.00 0.00 0.00 0.00 44.72 44.84 2wu9 s GLY 103 CO -0.04 2.05 0.72 -1.08 0.00 0.00 0.00 173.10 174.74 2wu9 s THR 104 N 2.36 0.00 -0.09 0.90 -1.32 -0.94 -0.86 115.64 115.68 2wu9 s THR 104 Ca 0.49 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.93 2wu9 s THR 104 Cb -0.19 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.76 2wu9 s THR 104 CO 0.16 0.00 -0.11 0.52 -2.21 0.00 0.00 174.62 172.98 2wu9 n VAL 105 N 2.03 0.50 0.05 5.08 0.31 -1.26 -4.49 118.33 120.55 2wu9 n VAL 105 Ca -0.16 -0.14 0.07 0.00 -0.01 0.00 0.00 64.34 64.11 2wu9 n VAL 105 Cb 0.56 -1.46 -0.07 0.00 -0.91 0.00 0.00 33.84 31.96 2wu9 n VAL 105 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wu9 n LEU 106 N -3.28 0.62 -4.89 7.52 4.77 -1.26 -4.97 117.00 115.51 2wu9 n LEU 106 Ca -0.17 0.25 -0.29 0.00 -0.03 0.00 0.00 56.01 55.77 2wu9 n LEU 106 Cb 0.63 0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.75 2wu9 n LEU 106 CO 0.03 -0.03 0.58 0.00 -1.33 0.00 0.00 177.39 176.64 2wu9 s ALA 107 N -3.24 3.25 0.22 -1.18 0.00 -1.26 -4.87 121.76 114.67 2wu9 s ALA 107 Ca -0.03 -0.32 -0.32 0.00 0.00 0.00 0.00 51.96 51.29 2wu9 s ALA 107 Cb 0.10 -2.82 -0.14 0.00 0.00 0.00 0.00 23.12 20.26 2wu9 s ALA 107 CO 0.82 -0.55 1.31 -2.30 0.00 0.00 0.00 175.76 175.04 2wu9 n PRO 108 N -2.52 1.70 0.13 0.00 -0.02 -1.26 -4.88 135.00 128.15 2wu9 n PRO 108 Ca 0.03 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 2wu9 n PRO 108 Cb 0.55 -2.20 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 2wu9 n PRO 108 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wu9 h GLY 109 N 3.86 -0.30 0.82 -1.23 0.00 -1.97 -2.37 103.07 101.88 2wu9 h GLY 109 Ca -0.44 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2wu9 h GLY 109 CO 0.73 -0.14 0.00 0.23 0.00 0.00 0.00 176.54 177.37 2wu9 h SER 110 N -0.31 0.35 -0.39 0.19 0.87 -1.99 -0.94 113.55 111.33 2wu9 h SER 110 Ca -0.00 -0.31 0.06 0.00 -1.23 0.00 0.00 61.79 60.31 2wu9 h SER 110 Cb 0.28 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 2wu9 h SER 110 CO -0.02 0.58 0.06 -0.61 -0.53 0.00 0.00 176.83 176.31 2wu9 h GLN 111 N 0.12 0.18 -0.35 2.24 4.15 -1.95 0.15 115.11 119.65 2wu9 h GLN 111 Ca 0.06 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.34 2wu9 h GLN 111 Cb 0.39 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2wu9 h GLN 111 CO 0.01 0.12 -0.29 -0.09 -1.93 0.00 0.00 178.83 176.65 2wu9 h ARG 112 N 0.19 0.75 -0.65 1.69 9.65 -1.23 0.10 114.38 124.87 2wu9 h ARG 112 Ca 0.19 -0.33 -0.02 0.00 -1.10 0.00 0.00 59.98 58.72 2wu9 h ARG 112 Cb 0.23 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 2wu9 h ARG 112 CO -0.26 0.95 0.33 0.00 2.80 0.00 0.00 179.97 183.79 2wu9 h ALA 113 N 1.03 1.35 -0.36 2.80 0.00 -0.76 -0.74 119.26 122.59 2wu9 h ALA 113 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2wu9 h ALA 113 Cb 0.82 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2wu9 h ALA 113 CO 0.07 0.51 0.17 0.77 0.00 0.00 0.00 179.25 180.77 2wu9 h SER 114 N 0.92 0.47 -0.64 0.00 0.02 -0.42 -2.38 113.55 111.52 2wu9 h SER 114 Ca 0.23 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2wu9 h SER 114 Cb 0.07 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 2wu9 h SER 114 CO -0.03 0.46 0.43 -0.33 -1.14 0.00 0.00 176.83 176.22 2wu9 h GLU 115 N 0.44 0.71 -0.31 3.45 5.08 -0.34 -0.60 114.58 123.01 2wu9 h GLU 115 Ca 0.12 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 2wu9 h GLU 115 Cb 0.12 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2wu9 h GLU 115 CO -0.02 0.47 -0.42 0.00 -1.00 0.00 0.00 179.01 178.04 2wu9 h ARG 117 N 0.62 0.72 -0.49 0.00 9.65 -0.86 -1.42 114.38 122.60 2wu9 h ARG 117 Ca 0.05 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2wu9 h ARG 117 Cb 0.98 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.41 2wu9 h ARG 117 CO 0.09 0.65 0.28 0.52 2.80 0.00 0.00 179.97 184.31 2wu9 h MET 118 N 0.63 0.53 -0.87 0.20 2.86 -0.93 -1.70 114.93 115.65 2wu9 h MET 118 Ca 0.16 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2wu9 h MET 118 Cb 0.21 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 2wu9 h MET 118 CO -0.01 0.35 0.57 0.00 1.06 0.00 0.00 176.91 178.87 2wu9 h ALA 119 N 1.23 1.14 -0.88 6.32 0.00 -0.64 -0.39 119.26 126.04 2wu9 h ALA 119 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2wu9 h ALA 119 Cb 0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2wu9 h ALA 119 CO -0.11 0.43 0.45 0.00 0.00 0.00 0.00 179.25 180.02 2wu9 h ALA 120 N 1.35 1.13 -0.51 0.00 0.00 -0.71 -0.33 119.26 120.19 2wu9 h ALA 120 Ca 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wu9 h ALA 120 Cb -0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2wu9 h ALA 120 CO -0.11 0.67 0.27 0.74 0.00 0.00 0.00 179.25 180.82 2wu9 h PHE 121 N 1.24 0.71 -0.60 0.00 0.04 -0.47 -1.11 116.94 116.75 2wu9 h PHE 121 Ca 0.31 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.08 2wu9 h PHE 121 Cb 0.07 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 2wu9 h PHE 121 CO 0.01 0.54 0.40 1.88 -0.60 0.00 0.00 178.31 180.54 2wu9 h TYR 122 N 0.68 0.69 0.00 -0.55 0.05 -0.40 -1.17 116.97 116.27 2wu9 h TYR 122 Ca 0.18 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2wu9 h TYR 122 Cb 0.07 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.58 2wu9 h TYR 122 CO -0.01 0.41 0.00 0.00 -1.05 0.00 0.00 178.16 177.51 2wu9 n ALA 123 N -2.46 2.07 -0.11 3.88 0.00 -0.20 -4.89 120.51 118.81 2wu9 n ALA 123 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2wu9 n ALA 123 Cb 0.12 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2wu9 n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wu9 n GLY 124 N 0.73 0.94 3.78 0.00 0.00 -0.44 -4.52 105.19 105.68 2wu9 n GLY 124 Ca 0.07 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2wu9 n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wu9 s PHE 125 N -2.00 3.48 0.78 1.61 0.08 -0.46 -4.89 117.98 116.58 2wu9 s PHE 125 Ca 0.00 1.71 -0.12 0.00 0.12 0.00 0.00 56.93 58.64 2wu9 s PHE 125 Cb 0.00 -3.09 0.06 0.00 -0.57 0.00 0.00 43.02 39.42 2wu9 s PHE 125 CO 0.00 -0.32 1.15 -1.25 -0.10 0.00 0.00 175.22 174.70 2wu9 s PRO 126 N -2.11 2.23 0.62 0.24 0.04 -1.26 -4.40 135.00 130.36 2wu9 s PRO 126 Ca 0.52 0.21 0.40 0.00 0.04 0.00 0.00 61.00 62.17 2wu9 s PRO 126 Cb -0.23 -1.98 2.01 0.00 0.04 0.00 0.00 34.50 34.35 2wu9 s PRO 126 CO 0.29 -1.43 2.22 1.05 0.04 0.00 0.00 177.00 179.17 2wu9 h GLU 127 N -0.93 0.00 0.00 4.56 4.11 -1.99 -2.69 114.58 117.64 2wu9 h GLU 127 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2wu9 h GLU 127 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2wu9 h GLU 127 CO 0.65 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.98 2wu9 n THR 128 N -3.08 0.71 -3.12 -1.06 -2.24 -1.26 -4.69 114.28 99.55 2wu9 n THR 128 Ca -0.02 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 2wu9 n THR 128 Cb 0.16 -0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 2wu9 n THR 128 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wu9 s VAL 129 N -3.22 4.97 0.68 2.28 1.01 -1.02 -5.04 120.40 120.07 2wu9 s VAL 129 Ca 0.07 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 2wu9 s VAL 129 Cb 0.11 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2wu9 s VAL 129 CO 0.49 -0.02 1.06 0.00 0.00 0.00 0.00 175.10 176.62 2wu9 s ALA 130 N 2.53 2.74 0.00 5.51 0.00 -1.26 -4.94 121.76 126.33 2wu9 s ALA 130 Ca 0.26 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 2wu9 s ALA 130 Cb -0.15 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2wu9 s ALA 130 CO 0.10 -1.14 0.11 0.08 0.00 0.00 0.00 175.76 174.90 2wu9 s VAL 131 N -3.04 0.08 0.22 0.00 1.01 -1.26 -1.72 120.40 115.69 2wu9 s VAL 131 Ca 0.58 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 2wu9 s VAL 131 Cb -0.14 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.88 2wu9 s VAL 131 CO 0.54 -0.37 0.54 0.00 0.00 0.00 0.00 175.10 175.81 2wu9 s ARG 132 N -1.29 1.50 0.24 2.72 1.70 -0.26 -4.95 118.95 118.61 2wu9 s ARG 132 Ca -0.14 -0.99 0.11 0.00 -0.47 0.00 0.00 55.73 54.24 2wu9 s ARG 132 Cb -0.08 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 2wu9 s ARG 132 CO 0.01 -0.64 -0.19 0.95 -1.08 0.00 0.00 175.30 174.35 2wu9 s THR 133 N -3.92 2.59 0.10 4.99 -4.23 -1.26 -0.67 115.64 113.24 2wu9 s THR 133 Ca 0.13 -2.18 0.05 0.00 -1.18 0.00 0.00 61.69 58.51 2wu9 s THR 133 Cb -0.02 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 2wu9 s THR 133 CO 0.02 -0.28 -0.12 0.68 -0.54 0.00 0.00 174.62 174.38 2wu9 s VAL 134 N -2.15 1.09 -0.18 2.29 -7.23 -0.39 -4.85 120.40 108.97 2wu9 s VAL 134 Ca 0.27 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.76 2wu9 s VAL 134 Cb -0.06 -1.38 0.06 0.00 0.56 0.00 0.00 36.38 35.56 2wu9 s VAL 134 CO 0.14 -0.48 0.09 0.21 -0.31 0.00 0.00 175.10 174.75 2wu9 s ASN 135 N -2.38 2.50 -0.48 4.85 3.84 -1.26 -2.22 114.94 119.79 2wu9 s ASN 135 Ca 0.06 -0.70 0.07 0.00 0.21 0.00 0.00 52.86 52.51 2wu9 s ASN 135 Cb -0.04 -0.27 0.38 0.00 -0.55 0.00 0.00 41.25 40.77 2wu9 s ASN 135 CO 0.01 -0.36 0.96 -1.14 -2.79 0.00 0.00 177.10 173.79 2wu9 n ARG 136 N 5.27 2.74 0.00 0.43 0.63 -1.26 -5.01 116.66 119.46 2wu9 n ARG 136 Ca -0.07 -4.37 0.00 0.00 -0.92 0.00 0.00 57.85 52.49 2wu9 n ARG 136 Cb 0.48 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.33 2wu9 n ARG 136 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wu9 n GLN 137 N -0.22 0.00 0.16 -0.14 1.13 -1.26 -1.84 117.38 115.21 2wu9 n GLN 137 Ca 0.30 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.48 2wu9 n GLN 137 Cb 0.55 0.00 0.59 0.00 0.11 0.00 0.00 30.24 31.49 2wu9 n GLN 137 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wu9 n SER 139 N -2.30 2.00 -0.35 0.00 3.41 -0.77 -4.48 113.62 111.13 2wu9 n SER 139 Ca -0.01 -1.71 0.08 0.00 -0.26 0.00 0.00 58.87 56.97 2wu9 n SER 139 Cb 0.09 -0.08 0.25 0.00 -0.26 0.00 0.00 64.21 64.21 2wu9 n SER 139 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wu9 h SER 140 N 2.84 0.82 -0.19 4.04 0.02 -1.30 -0.15 113.55 119.63 2wu9 h SER 140 Ca 0.00 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2wu9 h SER 140 Cb 0.61 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2wu9 h SER 140 CO 0.00 0.40 -0.09 1.23 -1.14 0.00 0.00 176.83 177.23 2wu9 h GLY 141 N 0.88 0.59 1.14 -3.77 0.00 -1.68 -0.64 103.07 99.59 2wu9 h GLY 141 Ca 0.50 -0.40 -0.25 0.00 0.00 0.00 0.00 47.33 47.18 2wu9 h GLY 141 CO -0.30 0.37 -1.00 -2.00 0.00 0.00 0.00 176.54 173.61 2wu9 h LEU 142 N 0.51 0.85 -0.86 3.11 5.85 -1.15 -3.10 115.31 120.52 2wu9 h LEU 142 Ca 0.10 -0.75 0.13 0.00 0.84 0.00 0.00 57.88 58.19 2wu9 h LEU 142 Cb 0.47 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 2wu9 h LEU 142 CO 0.03 1.50 0.47 -0.61 -0.34 0.00 0.00 178.44 179.49 2wu9 h GLN 143 N 0.30 0.69 -0.62 1.25 5.75 -0.87 -0.76 115.11 120.85 2wu9 h GLN 143 Ca -0.13 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.34 2wu9 h GLN 143 Cb 1.67 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 30.03 2wu9 h GLN 143 CO 0.20 0.46 0.41 0.00 -2.65 0.00 0.00 178.83 177.24 2wu9 h ALA 144 N 1.53 0.79 -0.53 3.38 0.00 -1.11 0.18 119.26 123.49 2wu9 h ALA 144 Ca 0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2wu9 h ALA 144 Cb 0.56 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2wu9 h ALA 144 CO -0.32 0.21 0.30 0.28 0.00 0.00 0.00 179.25 179.72 2wu9 h VAL 145 N 0.83 1.17 -0.70 0.00 2.07 -1.24 -2.07 116.25 116.32 2wu9 h VAL 145 Ca 0.23 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 2wu9 h VAL 145 Cb -0.08 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2wu9 h VAL 145 CO -0.06 0.18 0.23 0.00 0.02 0.00 0.00 177.57 177.95 2wu9 h ALA 146 N 1.14 1.09 -0.68 1.67 0.00 -0.61 -1.15 119.26 120.72 2wu9 h ALA 146 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wu9 h ALA 146 Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2wu9 h ALA 146 CO -0.03 0.63 0.37 -0.44 0.00 0.00 0.00 179.25 179.77 2wu9 h ASP 147 N 1.03 0.86 -0.53 0.00 5.19 -0.38 0.84 116.42 123.44 2wu9 h ASP 147 Ca 0.23 -0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 2wu9 h ASP 147 Cb 0.26 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 2wu9 h ASP 147 CO -0.01 0.72 0.08 0.58 -3.12 0.00 0.00 179.24 177.49 2wu9 h VAL 148 N 0.94 1.25 -0.81 -1.35 2.07 -1.02 -0.22 116.25 117.11 2wu9 h VAL 148 Ca 0.24 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2wu9 h VAL 148 Cb 0.05 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2wu9 h VAL 148 CO -0.04 0.35 0.47 0.00 0.02 0.00 0.00 177.57 178.36 2wu9 h ALA 149 N 0.98 1.04 -0.53 1.67 0.00 -0.80 -0.84 119.26 120.78 2wu9 h ALA 149 Ca 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2wu9 h ALA 149 Cb 0.41 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wu9 h ALA 149 CO 0.01 0.53 0.17 0.00 0.00 0.00 0.00 179.25 179.96 2wu9 h ALA 150 N 1.25 0.70 -0.68 0.00 0.00 -0.52 -1.13 119.26 118.87 2wu9 h ALA 150 Ca 0.29 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2wu9 h ALA 150 Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2wu9 h ALA 150 CO -0.05 0.35 0.15 0.00 0.00 0.00 0.00 179.25 179.70 2wu9 h ALA 151 N 1.03 0.97 -0.19 0.00 0.00 -0.61 0.35 119.26 120.80 2wu9 h ALA 151 Ca 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2wu9 h ALA 151 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wu9 h ALA 151 CO -0.01 0.66 -0.05 0.82 0.00 0.00 0.00 179.25 180.67 2wu9 h ILE 152 N 1.04 1.29 -0.86 0.00 2.04 -0.98 -0.47 117.51 119.56 2wu9 h ILE 152 Ca 0.21 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 65.11 2wu9 h ILE 152 Cb 0.39 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 2wu9 h ILE 152 CO 0.01 0.31 0.56 0.11 0.00 0.00 0.00 178.15 179.14 2wu9 h LYS 153 N 0.09 0.93 0.00 2.37 1.57 -0.99 -1.81 116.57 118.73 2wu9 h LYS 153 Ca 0.05 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wu9 h LYS 153 Cb 0.50 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2wu9 h LYS 153 CO 0.02 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.51 2wu9 n ALA 154 N -2.41 2.26 -0.63 3.86 0.00 0.09 -4.91 120.51 118.77 2wu9 n ALA 154 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2wu9 n ALA 154 Cb 0.22 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2wu9 n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wu9 n GLY 155 N 1.11 0.65 0.19 0.00 0.00 -0.68 -4.95 105.19 101.50 2wu9 n GLY 155 Ca 0.09 -0.36 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 2wu9 n GLY 155 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wu9 h PHE 156 N 0.00 0.40 -1.95 1.61 -1.00 -1.31 -3.47 116.94 111.21 2wu9 h PHE 156 Ca 0.00 -0.14 0.23 0.00 2.81 0.00 0.00 57.97 60.87 2wu9 h PHE 156 Cb 0.00 -0.08 -0.11 0.00 3.61 0.00 0.00 35.95 39.38 2wu9 h PHE 156 CO 0.00 0.80 0.63 1.52 -1.61 0.00 0.00 178.31 179.65 2wu9 s TYR 157 N -3.90 -0.12 -0.48 -0.55 -0.85 -1.25 -5.04 117.35 105.15 2wu9 s TYR 157 Ca -0.05 -0.08 0.20 0.00 -0.52 0.00 0.00 57.07 56.62 2wu9 s TYR 157 Cb 0.12 0.59 -0.26 0.00 0.38 0.00 0.00 41.96 42.79 2wu9 s TYR 157 CO 0.80 -0.56 0.64 -0.25 -1.52 0.00 0.00 175.55 174.66 2wu9 n ASP 158 N -0.43 0.67 -3.80 -0.18 8.00 -1.26 -4.18 116.55 115.37 2wu9 n ASP 158 Ca -0.07 -0.49 -0.14 0.00 0.71 0.00 0.00 54.79 54.80 2wu9 n ASP 158 Cb 0.61 1.45 -0.15 0.00 -0.02 0.00 0.00 41.12 43.01 2wu9 n ASP 158 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wu9 s ILE 159 N -3.11 -0.04 0.15 0.53 1.01 -1.26 -1.63 121.20 116.85 2wu9 s ILE 159 Ca 0.00 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 2wu9 s ILE 159 Cb 0.14 -0.12 0.01 0.00 0.01 0.00 0.00 42.46 42.49 2wu9 s ILE 159 CO 0.82 0.05 0.33 -0.83 0.00 0.00 0.00 174.94 175.31 2wu9 s GLY 160 N 0.72 0.19 -0.16 6.18 0.00 -0.22 -0.23 107.32 113.79 2wu9 s GLY 160 Ca -0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.06 2wu9 s GLY 160 CO -0.03 -0.65 -0.11 -0.42 0.00 0.00 0.00 173.10 171.90 2wu9 s ILE 161 N -3.91 3.07 -0.23 0.90 1.01 -0.42 -0.91 121.20 120.72 2wu9 s ILE 161 Ca 0.11 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 2wu9 s ILE 161 Cb 0.03 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2wu9 s ILE 161 CO -0.04 0.49 0.05 -0.83 0.00 0.00 0.00 174.94 174.61 2wu9 s GLY 162 N 0.78 1.78 0.28 6.18 0.00 -0.36 -0.61 107.32 115.37 2wu9 s GLY 162 Ca -0.04 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.67 2wu9 s GLY 162 CO 0.01 0.38 0.11 0.00 0.00 0.00 0.00 173.10 173.60 2wu9 s ALA 163 N 1.25 1.89 -0.02 3.20 0.00 0.68 -0.39 121.76 128.36 2wu9 s ALA 163 Ca 0.04 -1.81 -0.06 0.00 0.00 0.00 0.00 51.96 50.13 2wu9 s ALA 163 Cb -0.15 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.02 2wu9 s ALA 163 CO 0.03 -0.46 0.13 0.20 0.00 0.00 0.00 175.76 175.66 2wu9 s GLY 164 N -3.35 -0.00 -0.16 0.00 0.00 0.17 -0.25 107.32 103.72 2wu9 s GLY 164 Ca 0.36 0.06 -0.10 0.00 0.00 0.00 0.00 44.72 45.04 2wu9 s GLY 164 CO 0.15 -0.04 0.39 -2.27 0.00 0.00 0.00 173.10 171.33 2wu9 s LEU 165 N -0.77 0.13 -0.16 0.66 2.96 -0.04 -1.12 118.68 120.33 2wu9 s LEU 165 Ca -0.09 0.83 -0.13 0.00 -0.22 0.00 0.00 54.13 54.53 2wu9 s LEU 165 Cb -0.05 1.30 0.05 0.00 0.50 0.00 0.00 46.19 47.99 2wu9 s LEU 165 CO 0.01 -0.17 0.42 -0.70 -1.32 0.00 0.00 176.35 174.58 2wu9 s GLU 166 N 1.03 0.46 -0.46 1.98 2.56 -0.78 -4.03 118.70 119.45 2wu9 s GLU 166 Ca -0.07 0.67 0.02 0.00 0.00 0.00 0.00 54.97 55.59 2wu9 s GLU 166 Cb -0.07 0.15 0.12 0.00 2.00 0.00 0.00 34.13 36.33 2wu9 s GLU 166 CO -0.08 -0.10 0.21 0.45 -0.56 0.00 0.00 175.26 175.18 2wu9 s SER 167 N 0.66 4.67 0.06 -1.70 0.15 -1.26 -1.24 113.70 115.03 2wu9 s SER 167 Ca -0.04 -2.61 0.23 0.00 0.70 0.00 0.00 55.95 54.23 2wu9 s SER 167 Cb -0.05 -1.68 0.92 0.00 -1.71 0.00 0.00 66.02 63.50 2wu9 s SER 167 CO -0.04 -0.33 1.71 0.23 1.20 0.00 0.00 173.24 176.01 2wu9 n MET 168 N 3.68 0.06 -0.16 5.44 0.00 -1.18 -1.44 117.12 123.52 2wu9 n MET 168 Ca 0.04 0.17 -0.10 0.00 0.00 0.00 0.00 57.70 57.82 2wu9 n MET 168 Cb 0.37 -1.58 -0.00 0.00 0.00 0.00 0.00 33.22 32.00 2wu9 n MET 168 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2wu9 h THR 169 N 0.00 1.25 0.14 2.03 2.02 -1.91 -3.34 112.91 113.10 2wu9 h THR 169 Ca 0.00 -0.91 -0.28 0.00 0.77 0.00 0.00 66.41 65.99 2wu9 h THR 169 Cb 0.42 0.96 0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2wu9 h THR 169 CO 0.00 0.32 -1.18 0.74 0.37 0.00 0.00 175.52 175.77 2wu9 h THR 170 N 0.61 1.33 -3.68 3.16 2.02 -1.62 -3.45 112.91 111.27 2wu9 h THR 170 Ca 0.14 -2.48 -0.67 0.00 0.77 0.00 0.00 66.41 64.16 2wu9 h THR 170 Cb 0.39 2.83 -0.35 0.00 -1.74 0.00 0.00 68.15 69.28 2wu9 h THR 170 CO 0.01 0.74 -0.79 0.20 0.37 0.00 0.00 175.52 176.05 2wu9 s ASN 171 N -7.34 4.28 0.70 4.18 -0.87 -0.74 -5.11 114.94 110.04 2wu9 s ASN 171 Ca -0.10 -1.19 -0.12 0.00 -1.57 0.00 0.00 52.86 49.88 2wu9 s ASN 171 Cb 0.04 -1.58 0.01 0.00 -0.02 0.00 0.00 41.25 39.71 2wu9 s ASN 171 CO 0.91 -0.16 1.07 -2.16 -2.57 0.00 0.00 177.10 174.19 2wu9 s PRO 172 N 1.18 2.82 -1.15 -0.60 0.04 -1.26 -4.66 135.00 131.38 2wu9 s PRO 172 Ca -0.05 1.06 -0.09 0.00 0.04 0.00 0.00 61.00 61.96 2wu9 s PRO 172 Cb -0.18 -1.97 0.25 0.00 0.04 0.00 0.00 34.50 32.64 2wu9 s PRO 172 CO -0.06 -1.20 1.32 -1.33 0.04 0.00 0.00 177.00 175.78 2wu9 n MET 173 N -3.04 3.70 -4.17 4.56 2.81 -1.26 -4.94 117.12 114.78 2wu9 n MET 173 Ca 0.08 -4.27 -0.18 0.00 -1.81 0.00 0.00 57.70 51.52 2wu9 n MET 173 Cb 0.53 -2.68 -0.15 0.00 -0.71 0.00 0.00 33.22 30.21 2wu9 n MET 173 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wu9 s ALA 174 N -0.84 0.54 0.43 3.04 0.00 -1.26 -5.13 121.76 118.53 2wu9 s ALA 174 Ca 0.34 -0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.91 2wu9 s ALA 174 Cb -0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 23.12 22.76 2wu9 s ALA 174 CO -0.02 0.06 1.24 -0.46 0.00 0.00 0.00 175.76 176.58 2wu9 s TRP 175 N 0.31 2.87 0.04 0.00 -0.11 -1.26 -5.04 118.94 115.74 2wu9 s TRP 175 Ca -0.04 1.48 0.07 0.00 1.22 0.00 0.00 56.10 58.84 2wu9 s TRP 175 Cb -0.08 -3.53 -0.03 0.00 -1.50 0.00 0.00 33.47 28.33 2wu9 s TRP 175 CO -0.00 -1.78 -0.20 -1.21 -4.62 0.00 0.00 176.95 169.14 2wu9 s GLU 176 N -2.40 2.04 1.18 5.86 2.02 -1.26 -5.05 118.70 121.10 2wu9 s GLU 176 Ca 0.59 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2wu9 s GLU 176 Cb -0.34 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.73 2wu9 s GLU 176 CO 0.43 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.66 2wu9 n GLY 177 N 1.65 -1.75 3.92 -1.39 0.00 -1.26 -4.91 105.19 101.46 2wu9 n GLY 177 Ca -0.16 -1.29 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 2wu9 n GLY 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wu9 s SER 178 N -3.98 5.31 -0.10 1.61 1.04 -1.26 -5.07 113.70 111.25 2wu9 s SER 178 Ca 0.00 0.64 -0.09 0.00 0.48 0.00 0.00 55.95 56.97 2wu9 s SER 178 Cb 0.00 -1.50 -0.05 0.00 0.10 0.00 0.00 66.02 64.57 2wu9 s SER 178 CO 0.00 -1.27 0.21 -0.69 0.98 0.00 0.00 173.24 172.48 2wu9 s VAL 179 N -3.10 5.37 0.02 5.02 1.01 -1.26 -5.04 120.40 122.43 2wu9 s VAL 179 Ca 0.56 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 2wu9 s VAL 179 Cb -0.11 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.69 2wu9 s VAL 179 CO 0.45 0.59 1.97 0.21 0.00 0.00 0.00 175.10 178.32 2wu9 s ASN 180 N -0.88 6.42 0.61 3.32 3.84 -1.26 -4.84 114.94 122.15 2wu9 s ASN 180 Ca 0.17 2.63 0.28 0.00 0.21 0.00 0.00 52.86 56.15 2wu9 s ASN 180 Cb -0.13 -2.53 1.42 0.00 -0.55 0.00 0.00 41.25 39.46 2wu9 s ASN 180 CO 0.06 -1.09 1.82 -0.65 -2.79 0.00 0.00 177.10 174.46 2wu9 h PRO 181 N 10.74 0.00 0.00 0.43 0.11 -2.05 -1.01 132.00 140.22 2wu9 h PRO 181 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wu9 h PRO 181 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2wu9 h PRO 181 CO 0.94 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.73 2wu9 h ALA 182 N 1.30 1.34 -0.55 -0.75 0.00 -2.03 -2.60 119.26 115.97 2wu9 h ALA 182 Ca 0.17 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.23 2wu9 h ALA 182 Cb 1.20 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2wu9 h ALA 182 CO -0.00 0.00 0.39 -0.39 0.00 0.00 0.00 179.25 179.25 2wu9 h VAL 183 N 0.00 0.73 0.00 0.00 -1.51 -1.52 -0.63 116.25 113.32 2wu9 h VAL 183 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2wu9 h VAL 183 Cb 0.00 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 29.88 2wu9 h VAL 183 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.63 2wu9 n LYS 184 N -4.38 0.17 0.00 5.19 4.76 -0.98 -2.13 118.16 120.79 2wu9 n LYS 184 Ca 0.10 0.53 0.10 0.00 -2.87 0.00 0.00 58.31 56.18 2wu9 n LYS 184 Cb 0.61 -1.92 -0.09 0.00 -1.84 0.00 0.00 35.03 31.80 2wu9 n LYS 184 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wu9 n LYS 185 N -2.24 0.09 -3.84 1.97 5.02 -0.25 -4.76 118.16 114.15 2wu9 n LYS 185 Ca 0.00 -0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 55.92 2wu9 n LYS 185 Cb 0.13 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.49 2wu9 n LYS 185 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2wu9 s PHE 186 N -2.96 2.44 0.28 2.13 0.08 -0.91 -5.01 117.98 114.04 2wu9 s PHE 186 Ca 0.09 -2.17 0.01 0.00 0.12 0.00 0.00 56.93 54.98 2wu9 s PHE 186 Cb 0.16 -2.12 0.53 0.00 -0.57 0.00 0.00 43.02 41.01 2wu9 s PHE 186 CO 0.84 -0.90 1.86 0.00 -0.10 0.00 0.00 175.22 176.92 2wu9 h ALA 187 N 7.92 1.50 -0.14 5.36 0.00 -1.86 -0.35 119.26 131.69 2wu9 h ALA 187 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2wu9 h ALA 187 Cb 1.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2wu9 h ALA 187 CO 0.49 0.29 -0.59 1.96 0.00 0.00 0.00 179.25 181.40 2wu9 h GLN 188 N 1.04 0.47 -0.25 0.00 4.20 -1.95 -0.20 115.11 118.42 2wu9 h GLN 188 Ca 0.47 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 2wu9 h GLN 188 Cb 0.38 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2wu9 h GLN 188 CO -0.22 0.92 0.09 0.00 -0.67 0.00 0.00 178.83 178.94 2wu9 h ALA 189 N 1.01 0.32 -0.99 3.87 0.00 -1.67 -2.66 119.26 119.14 2wu9 h ALA 189 Ca -0.00 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2wu9 h ALA 189 Cb 1.12 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2wu9 h ALA 189 CO 0.10 -0.06 0.63 0.37 0.00 0.00 0.00 179.25 180.29 2wu9 h GLN 190 N 0.24 1.09 0.00 0.00 5.75 -0.78 -1.35 115.11 120.05 2wu9 h GLN 190 Ca 0.08 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2wu9 h GLN 190 Cb 0.21 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.52 2wu9 h GLN 190 CO -0.00 0.72 0.00 -0.91 -2.65 0.00 0.00 178.83 175.99 2wu9 h ASN 191 N 1.13 0.00 0.28 -0.69 2.35 -0.71 -0.70 115.58 117.23 2wu9 h ASN 191 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2wu9 h ASN 191 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2wu9 h ASN 191 CO -0.19 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.59 2wu9 n LEU 193 N -2.98 1.36 -4.77 0.00 4.77 -0.27 -4.70 117.00 110.41 2wu9 n LEU 193 Ca -0.02 -0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 2wu9 n LEU 193 Cb 0.13 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2wu9 n LEU 193 CO 0.21 0.24 1.14 -0.76 -1.33 0.00 0.00 177.39 176.89 2wu9 s LEU 194 N -2.36 4.35 0.37 2.23 1.43 -0.96 -4.95 118.68 118.79 2wu9 s LEU 194 Ca 0.27 2.93 -0.27 0.00 -1.03 0.00 0.00 54.13 56.03 2wu9 s LEU 194 Cb 0.20 -3.65 -0.12 0.00 0.03 0.00 0.00 46.19 42.65 2wu9 s LEU 194 CO 0.47 -0.81 1.23 -2.65 0.23 0.00 0.00 176.35 174.82 2wu9 n PRO 195 N 1.11 1.92 -0.35 1.29 -0.02 -1.26 -4.86 135.00 132.84 2wu9 n PRO 195 Ca 0.03 0.68 0.09 0.00 -2.02 0.00 0.00 63.50 62.28 2wu9 n PRO 195 Cb 0.39 -2.27 0.27 0.00 -0.02 0.00 0.00 33.50 31.87 2wu9 n PRO 195 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2wu9 h MET 196 N 2.26 0.82 -0.01 -0.52 2.86 -1.97 -0.76 114.93 117.61 2wu9 h MET 196 Ca -0.46 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.07 2wu9 h MET 196 Cb 1.30 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 2wu9 h MET 196 CO 0.61 0.54 -0.28 0.78 1.06 0.00 0.00 176.91 179.62 2wu9 h GLY 197 N 0.84 0.02 1.31 8.32 0.00 -2.00 -1.30 103.07 110.27 2wu9 h GLY 197 Ca 0.52 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.70 2wu9 h GLY 197 CO -0.33 0.02 -0.31 -2.08 0.00 0.00 0.00 176.54 173.83 2wu9 h VAL 198 N 0.02 1.28 0.00 4.60 2.07 -1.50 -2.38 116.25 120.34 2wu9 h VAL 198 Ca 0.00 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.00 2wu9 h VAL 198 Cb 0.51 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2wu9 h VAL 198 CO 0.04 0.48 -0.28 0.71 0.02 0.00 0.00 177.57 178.53 2wu9 h THR 199 N 0.65 1.03 -0.16 2.57 1.35 -0.79 -0.13 112.91 117.43 2wu9 h THR 199 Ca 0.07 -1.04 -0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2wu9 h THR 199 Cb 0.85 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2wu9 h THR 199 CO 0.07 0.28 0.08 -1.28 -0.25 0.00 0.00 175.52 174.43 2wu9 h SER 200 N 0.00 0.20 -0.77 5.36 0.87 -1.04 -1.49 113.55 116.67 2wu9 h SER 200 Ca -0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2wu9 h SER 200 Cb 0.56 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 2wu9 h SER 200 CO 0.04 0.23 0.50 -0.33 -0.53 0.00 0.00 176.83 176.73 2wu9 h GLU 201 N 0.15 1.02 -0.75 2.24 4.39 -0.83 -1.07 114.58 119.73 2wu9 h GLU 201 Ca 0.05 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2wu9 h GLU 201 Cb 0.08 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 2wu9 h GLU 201 CO -0.01 0.69 0.46 -0.91 -1.16 0.00 0.00 179.01 178.09 2wu9 h ASN 202 N 1.05 0.74 -0.21 1.42 2.35 -0.81 0.29 115.58 120.42 2wu9 h ASN 202 Ca 0.28 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.02 2wu9 h ASN 202 Cb -0.10 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 2wu9 h ASN 202 CO -0.06 0.50 0.03 0.58 -1.65 0.00 0.00 177.43 176.83 2wu9 h VAL 203 N 0.88 1.23 -0.68 2.81 2.07 -0.85 -0.12 116.25 121.60 2wu9 h VAL 203 Ca 0.32 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2wu9 h VAL 203 Cb 0.09 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2wu9 h VAL 203 CO -0.14 0.23 0.40 0.00 0.02 0.00 0.00 177.57 178.08 2wu9 h ALA 204 N 0.83 0.87 -0.06 1.67 0.00 -0.78 -1.14 119.26 120.66 2wu9 h ALA 204 Ca 0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2wu9 h ALA 204 Cb 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wu9 h ALA 204 CO 0.00 0.35 -0.25 0.37 0.00 0.00 0.00 179.25 179.73 2wu9 h GLN 205 N 0.93 0.27 -0.69 0.00 4.15 -0.95 -0.18 115.11 118.64 2wu9 h GLN 205 Ca 0.24 -0.21 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 2wu9 h GLN 205 Cb -0.01 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 2wu9 h GLN 205 CO -0.04 0.85 0.29 -0.09 -1.93 0.00 0.00 178.83 177.91 2wu9 h ARG 206 N -0.25 1.02 -0.26 1.69 2.43 -0.93 -3.20 114.38 114.87 2wu9 h ARG 206 Ca -0.01 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2wu9 h ARG 206 Cb 0.89 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2wu9 h ARG 206 CO 0.05 0.84 0.00 1.19 -1.51 0.00 0.00 179.97 180.54 2wu9 n PHE 207 N -4.40 0.34 -2.81 2.20 3.72 -0.44 -5.00 117.46 111.07 2wu9 n PHE 207 Ca 0.05 -0.23 -0.10 0.00 -0.05 0.00 0.00 57.45 57.13 2wu9 n PHE 207 Cb 0.16 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.74 2wu9 n PHE 207 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wu9 n GLY 208 N 1.06 0.00 3.53 1.37 0.00 -0.46 -5.00 105.19 105.70 2wu9 n GLY 208 Ca 0.14 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2wu9 n GLY 208 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wu9 s VAL 209 N -3.20 5.17 0.75 1.61 1.01 -0.21 -5.04 120.40 120.49 2wu9 s VAL 209 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2wu9 s VAL 209 Cb -0.01 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.57 2wu9 s VAL 209 CO 0.41 -0.14 1.08 -0.94 0.00 0.00 0.00 175.10 175.50 2wu9 s SER 210 N 1.74 4.85 0.23 3.32 1.04 -1.26 -4.76 113.70 118.87 2wu9 s SER 210 Ca 0.11 1.60 -0.06 0.00 0.48 0.00 0.00 55.95 58.09 2wu9 s SER 210 Cb -0.17 -2.40 0.39 0.00 0.10 0.00 0.00 66.02 63.95 2wu9 s SER 210 CO 0.12 -1.78 1.73 -0.09 0.98 0.00 0.00 173.24 174.20 2wu9 h ARG 211 N -0.95 0.40 -0.55 4.02 9.65 -1.97 -1.78 114.38 123.19 2wu9 h ARG 211 Ca -0.45 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.34 2wu9 h ARG 211 Cb 1.23 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 2wu9 h ARG 211 CO 0.56 0.26 0.09 0.37 2.80 0.00 0.00 179.97 184.05 2wu9 h GLN 212 N 0.41 0.92 -0.88 0.20 4.15 -1.98 -0.35 115.11 117.58 2wu9 h GLN 212 Ca 0.38 -0.25 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 2wu9 h GLN 212 Cb 0.55 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 2wu9 h GLN 212 CO -0.38 0.89 0.54 0.93 -1.93 0.00 0.00 178.83 178.87 2wu9 h GLU 213 N 0.81 1.20 -0.04 1.69 5.08 -1.85 0.54 114.58 122.02 2wu9 h GLU 213 Ca 0.17 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2wu9 h GLU 213 Cb 0.42 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2wu9 h GLU 213 CO 0.01 0.84 -0.00 1.96 -1.00 0.00 0.00 179.01 180.81 2wu9 h GLN 214 N 1.21 0.07 -0.29 2.33 4.20 -0.98 -2.52 115.11 119.13 2wu9 h GLN 214 Ca 0.32 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.94 2wu9 h GLN 214 Cb -0.06 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2wu9 h GLN 214 CO -0.06 0.38 -0.12 -0.44 -0.67 0.00 0.00 178.83 177.92 2wu9 h ASP 215 N -0.25 0.46 -0.75 1.46 3.32 -0.92 -2.59 116.42 117.15 2wu9 h ASP 215 Ca 0.01 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 2wu9 h ASP 215 Cb 0.35 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2wu9 h ASP 215 CO 0.00 0.61 0.22 -0.61 -1.72 0.00 0.00 179.24 177.75 2wu9 h GLN 216 N 0.44 1.17 -0.96 3.56 5.75 -0.82 -0.54 115.11 123.70 2wu9 h GLN 216 Ca 0.08 -0.26 0.03 0.00 -0.15 0.00 0.00 58.65 58.35 2wu9 h GLN 216 Cb 0.47 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.80 2wu9 h GLN 216 CO 0.03 1.00 0.63 0.00 -2.65 0.00 0.00 178.83 177.84 2wu9 h ALA 217 N 1.12 1.35 -0.34 3.38 0.00 -1.07 -0.26 119.26 123.45 2wu9 h ALA 217 Ca 0.24 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2wu9 h ALA 217 Cb 0.33 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wu9 h ALA 217 CO -0.01 0.57 0.04 0.00 0.00 0.00 0.00 179.25 179.85 2wu9 h ALA 218 N 1.42 0.45 -0.38 0.00 0.00 -1.19 -0.72 119.26 118.85 2wu9 h ALA 218 Ca 0.37 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2wu9 h ALA 218 Cb -0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 2wu9 h ALA 218 CO -0.10 0.17 0.04 0.28 0.00 0.00 0.00 179.25 179.64 2wu9 h VAL 219 N 0.40 0.76 -0.88 0.00 2.07 -0.70 -1.68 116.25 116.22 2wu9 h VAL 219 Ca 0.10 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2wu9 h VAL 219 Cb 0.39 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2wu9 h VAL 219 CO 0.01 0.03 0.52 0.44 0.02 0.00 0.00 177.57 178.59 2wu9 h ASP 220 N 0.15 1.07 -0.21 0.57 3.32 -0.90 -1.30 116.42 119.11 2wu9 h ASP 220 Ca 0.19 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2wu9 h ASP 220 Cb 0.24 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2wu9 h ASP 220 CO -0.28 0.83 0.10 -1.28 -1.72 0.00 0.00 179.24 176.89 2wu9 h SER 221 N 1.21 0.28 -0.53 6.45 0.87 -0.55 -0.42 113.55 120.87 2wu9 h SER 221 Ca 0.31 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 2wu9 h SER 221 Cb -0.03 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2wu9 h SER 221 CO -0.06 0.34 0.12 0.45 -0.53 0.00 0.00 176.83 177.15 2wu9 h HIS 222 N 0.20 0.91 0.12 2.24 3.86 -1.19 -0.54 115.15 120.75 2wu9 h HIS 222 Ca 0.07 -0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2wu9 h HIS 222 Cb 0.14 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 2wu9 h HIS 222 CO -0.02 0.80 -0.24 -0.09 0.86 0.00 0.00 177.93 179.24 2wu9 h ARG 223 N 0.76 -0.43 -0.69 2.45 2.43 -1.05 0.25 114.38 118.09 2wu9 h ARG 223 Ca 0.17 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2wu9 h ARG 223 Cb 0.36 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2wu9 h ARG 223 CO 0.00 -0.29 0.34 0.87 -1.51 0.00 0.00 179.97 179.38 2wu9 h LYS 224 N -0.45 0.99 -0.69 0.20 1.57 -0.96 -1.23 116.57 116.00 2wu9 h LYS 224 Ca 0.03 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2wu9 h LYS 224 Cb 0.47 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2wu9 h LYS 224 CO -0.14 0.78 0.26 0.00 -0.57 0.00 0.00 179.45 179.79 2wu9 h ALA 225 N 1.16 0.90 -0.31 3.86 0.00 -0.93 0.11 119.26 124.04 2wu9 h ALA 225 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2wu9 h ALA 225 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2wu9 h ALA 225 CO -0.03 0.54 0.13 0.00 0.00 0.00 0.00 179.25 179.88 2wu9 h ALA 226 N 1.12 0.40 -0.58 0.00 0.00 -0.61 -1.08 119.26 118.51 2wu9 h ALA 226 Ca 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2wu9 h ALA 226 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wu9 h ALA 226 CO -0.02 -0.00 0.14 0.00 0.00 0.00 0.00 179.25 179.37 2wu9 h ALA 227 N 0.97 0.77 -0.54 0.00 0.00 -1.08 -1.90 119.26 117.48 2wu9 h ALA 227 Ca 0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2wu9 h ALA 227 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2wu9 h ALA 227 CO -0.01 0.48 0.12 0.00 0.00 0.00 0.00 179.25 179.84 2wu9 h ALA 228 N 1.03 0.71 -0.55 0.00 0.00 -0.81 -1.13 119.26 118.51 2wu9 h ALA 228 Ca 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2wu9 h ALA 228 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2wu9 h ALA 228 CO 0.00 0.42 0.23 1.15 0.00 0.00 0.00 179.25 181.06 2wu9 h THR 229 N 0.76 1.21 -0.06 0.00 2.02 -1.08 -0.21 112.91 115.56 2wu9 h THR 229 Ca 0.17 -0.65 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 2wu9 h THR 229 Cb 0.36 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2wu9 h THR 229 CO 0.00 0.25 -0.41 0.00 0.37 0.00 0.00 175.52 175.73 2wu9 h ALA 230 N 1.08 1.21 -0.00 6.16 0.00 -1.09 -2.18 119.26 124.42 2wu9 h ALA 230 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2wu9 h ALA 230 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wu9 h ALA 230 CO -0.02 0.56 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 2wu9 n ALA 231 N -2.47 2.66 -1.08 0.00 0.00 -0.45 -4.91 120.51 114.27 2wu9 n ALA 231 Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.17 2wu9 n ALA 231 Cb 0.46 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 2wu9 n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wu9 n GLY 232 N 1.22 0.59 0.35 0.00 0.00 -0.82 -4.93 105.19 101.60 2wu9 n GLY 232 Ca 0.17 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.51 2wu9 n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wu9 h LYS 233 N 0.18 0.82 -0.00 1.61 1.79 -1.28 -2.25 116.57 117.43 2wu9 h LYS 233 Ca -0.05 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2wu9 h LYS 233 Cb 0.21 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 2wu9 h LYS 233 CO 0.08 0.54 -0.04 1.19 -1.08 0.00 0.00 179.45 180.14 2wu9 n PHE 234 N -4.48 0.00 -0.26 -1.35 3.72 -1.26 -4.18 117.46 109.65 2wu9 n PHE 234 Ca 0.11 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.48 2wu9 n PHE 234 Cb 0.20 -0.10 0.14 0.00 -0.94 0.00 0.00 39.48 38.78 2wu9 n PHE 234 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2wu9 h LYS 235 N 0.56 1.11 -0.34 -1.08 1.57 -1.76 -1.28 116.57 115.35 2wu9 h LYS 235 Ca 0.00 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 2wu9 h LYS 235 Cb 0.24 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2wu9 h LYS 235 CO 0.00 0.83 -0.06 -0.44 -0.57 0.00 0.00 179.45 179.21 2wu9 h ASP 236 N 1.11 0.63 0.90 0.86 3.32 -1.80 -3.30 116.42 118.15 2wu9 h ASP 236 Ca 0.28 -0.35 -0.22 0.00 0.02 0.00 0.00 57.03 56.75 2wu9 h ASP 236 Cb 0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2wu9 h ASP 236 CO -0.04 0.83 -1.05 1.05 -1.72 0.00 0.00 179.24 178.31 2wu9 h GLU 237 N 0.42 0.07 -6.45 3.56 4.11 -1.76 -3.45 114.58 111.08 2wu9 h GLU 237 Ca 0.09 -0.11 -0.54 0.00 0.07 0.00 0.00 59.36 58.87 2wu9 h GLU 237 Cb 0.54 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2wu9 h GLU 237 CO 0.03 1.05 0.44 0.42 0.07 0.00 0.00 179.01 181.02 2wu9 s ILE 238 N -2.71 4.52 -0.36 -1.06 1.01 -0.51 -1.07 121.20 121.02 2wu9 s ILE 238 Ca -0.00 1.83 -0.14 0.00 0.00 0.00 0.00 60.65 62.33 2wu9 s ILE 238 Cb 0.09 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 2wu9 s ILE 238 CO 0.83 0.15 0.29 -0.63 0.00 0.00 0.00 174.94 175.58 2wu9 s ILE 239 N 0.96 5.25 0.52 2.92 -1.09 0.77 -4.91 121.20 125.61 2wu9 s ILE 239 Ca 0.54 -0.26 -0.22 0.00 -2.23 0.00 0.00 60.65 58.49 2wu9 s ILE 239 Cb -0.24 -3.79 -0.06 0.00 -1.58 0.00 0.00 42.46 36.78 2wu9 s ILE 239 CO 0.29 -0.11 1.26 -2.84 -1.23 0.00 0.00 174.94 172.31 2wu9 s PRO 240 N 1.79 3.38 -0.18 2.79 0.02 -1.26 -4.25 135.00 137.29 2wu9 s PRO 240 Ca 0.07 1.99 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 2wu9 s PRO 240 Cb -0.18 -2.28 -0.00 0.00 0.02 0.00 0.00 34.50 32.06 2wu9 s PRO 240 CO 0.11 -0.93 -0.12 0.08 -0.33 0.00 0.00 177.00 175.81 2wu9 s VAL 241 N -1.44 2.81 -0.29 3.83 1.01 -0.39 -4.92 120.40 121.01 2wu9 s VAL 241 Ca 0.69 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 2wu9 s VAL 241 Cb -0.34 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2wu9 s VAL 241 CO 0.41 0.49 0.60 -0.54 0.00 0.00 0.00 175.10 176.06 2wu9 s LYS 242 N 1.07 3.93 0.00 2.72 1.02 -1.26 -0.40 119.74 126.82 2wu9 s LYS 242 Ca -0.00 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.29 2wu9 s LYS 242 Cb -0.15 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 2wu9 s LYS 242 CO -0.03 -0.52 0.00 -2.37 -0.92 0.00 0.00 175.35 171.51 2wu9 n THR 243 N 5.33 0.00 -4.28 2.17 5.66 -0.02 -5.01 114.28 118.15 2wu9 n THR 243 Ca -0.02 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.75 2wu9 n THR 243 Cb 0.49 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.15 2wu9 n THR 243 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2wu9 s LYS 244 N 0.05 1.10 -0.04 1.09 1.02 -1.26 -1.03 119.74 120.66 2wu9 s LYS 244 Ca 0.00 -1.15 0.01 0.00 0.02 0.00 0.00 55.97 54.85 2wu9 s LYS 244 Cb 0.00 -1.34 0.02 0.00 -0.52 0.00 0.00 37.83 35.99 2wu9 s LYS 244 CO 0.00 0.31 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.53 2wu9 s LEU 245 N -1.91 1.29 -0.25 3.17 2.96 -0.37 -4.54 118.68 119.03 2wu9 s LEU 245 Ca 0.06 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.66 2wu9 s LEU 245 Cb -0.10 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 2wu9 s LEU 245 CO 0.04 -0.06 0.58 -0.69 -1.32 0.00 0.00 176.35 174.90 2wu9 s VAL 246 N 0.95 5.02 0.08 1.68 1.01 -1.26 -1.59 120.40 126.30 2wu9 s VAL 246 Ca -0.11 1.04 -0.31 0.00 0.00 0.00 0.00 61.98 62.60 2wu9 s VAL 246 Cb -0.14 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 2wu9 s VAL 246 CO -0.00 0.06 1.60 -0.62 0.00 0.00 0.00 175.10 176.13 2wu9 s ASP 247 N 1.47 6.63 0.53 3.32 -1.08 0.37 -4.87 116.67 123.04 2wu9 s ASP 247 Ca 0.24 2.47 0.29 0.00 -0.52 0.00 0.00 52.55 55.03 2wu9 s ASP 247 Cb -0.16 -2.57 1.45 0.00 -1.46 0.00 0.00 42.92 40.19 2wu9 s ASP 247 CO 0.09 -0.85 2.06 -0.65 0.52 0.00 0.00 175.17 176.34 2wu9 h PRO 248 N 7.90 0.00 0.02 4.34 0.11 -1.95 0.07 132.00 142.49 2wu9 h PRO 248 Ca -0.42 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.31 2wu9 h PRO 248 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 2wu9 h PRO 248 CO 0.92 0.11 -2.36 1.63 -0.21 0.00 0.00 178.00 178.09 2wu9 n LYS 249 N -3.51 0.67 -0.02 1.05 5.02 -1.26 -4.63 118.16 115.49 2wu9 n LYS 249 Ca -0.01 0.15 0.04 0.00 -2.02 0.00 0.00 58.31 56.46 2wu9 n LYS 249 Cb 0.26 -1.56 -0.14 0.00 -0.02 0.00 0.00 35.03 33.56 2wu9 n LYS 249 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wu9 n THR 250 N -3.20 0.57 -0.87 -0.18 -2.24 -1.21 -4.98 114.28 102.17 2wu9 n THR 250 Ca -0.40 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 2wu9 n THR 250 Cb 1.03 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2wu9 n THR 250 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wu9 n GLY 251 N 1.40 1.25 3.78 3.38 0.00 0.01 -5.00 105.19 110.00 2wu9 n GLY 251 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2wu9 n GLY 251 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wu9 s ASP 252 N -3.12 5.88 -0.12 1.61 1.01 -1.26 -4.66 116.67 116.00 2wu9 s ASP 252 Ca 0.00 2.15 -0.07 0.00 0.71 0.00 0.00 52.55 55.35 2wu9 s ASP 252 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2wu9 s ASP 252 CO 0.00 -1.11 0.12 -1.61 0.21 0.00 0.00 175.17 172.78 2wu9 s GLU 253 N -3.20 3.46 0.03 8.23 2.02 -1.26 -0.48 118.70 127.50 2wu9 s GLU 253 Ca 0.71 -0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.53 2wu9 s GLU 253 Cb -0.23 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 2wu9 s GLU 253 CO 0.27 0.72 -0.06 -1.59 0.02 0.00 0.00 175.26 174.62 2wu9 s LYS 254 N -0.86 0.43 0.22 1.61 -2.85 -0.62 -4.98 119.74 112.69 2wu9 s LYS 254 Ca 0.14 -0.66 -0.30 0.00 -1.00 0.00 0.00 55.97 54.15 2wu9 s LYS 254 Cb -0.12 -0.15 -0.09 0.00 -2.06 0.00 0.00 37.83 35.41 2wu9 s LYS 254 CO 0.03 0.02 1.17 -2.14 0.10 0.00 0.00 175.35 174.53 2wu9 s PRO 255 N -1.43 4.53 0.07 1.78 0.02 -1.26 -1.24 135.00 137.48 2wu9 s PRO 255 Ca -0.11 1.87 0.02 0.00 0.02 0.00 0.00 61.00 62.80 2wu9 s PRO 255 Cb -0.09 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 2wu9 s PRO 255 CO -0.00 -0.00 -0.08 0.96 -0.33 0.00 0.00 177.00 177.55 2wu9 s ILE 256 N -0.42 0.67 -0.23 2.83 -4.36 -0.20 -4.91 121.20 114.58 2wu9 s ILE 256 Ca 0.50 -1.51 -0.03 0.00 -0.26 0.00 0.00 60.65 59.35 2wu9 s ILE 256 Cb -0.33 -1.16 0.00 0.00 1.25 0.00 0.00 42.46 42.23 2wu9 s ILE 256 CO 0.39 -0.60 -0.06 -0.89 0.24 0.00 0.00 174.94 174.02 2wu9 s THR 257 N -2.44 3.15 -0.24 8.37 2.01 -1.26 -0.84 115.64 124.39 2wu9 s THR 257 Ca 0.01 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 2wu9 s THR 257 Cb -0.03 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2wu9 s THR 257 CO -0.02 0.35 0.42 -0.69 -0.69 0.00 0.00 174.62 173.99 2wu9 s VAL 258 N 1.42 5.16 0.00 3.82 1.01 0.46 -4.90 120.40 127.37 2wu9 s VAL 258 Ca 0.04 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2wu9 s VAL 258 Cb -0.15 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2wu9 s VAL 258 CO -0.04 0.18 0.02 -1.54 0.00 0.00 0.00 175.10 173.71 2wu9 n SER 259 N 5.06 0.04 -4.17 3.32 3.41 -1.26 -1.26 113.62 118.77 2wu9 n SER 259 Ca -0.07 -0.35 -0.12 0.00 -0.26 0.00 0.00 58.87 58.07 2wu9 n SER 259 Cb 0.51 0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 64.90 2wu9 n SER 259 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2wu9 s VAL 260 N -0.55 0.80 -0.07 -3.33 -7.23 -1.26 -4.84 120.40 103.93 2wu9 s VAL 260 Ca 0.00 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 2wu9 s VAL 260 Cb 0.00 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2wu9 s VAL 260 CO 0.00 -0.70 1.45 -1.81 -0.31 0.00 0.00 175.10 173.73 2wu9 s ASP 261 N -2.69 6.81 0.00 4.85 1.01 -1.26 -4.69 116.67 120.69 2wu9 s ASP 261 Ca 0.08 2.03 0.21 0.00 0.71 0.00 0.00 52.55 55.58 2wu9 s ASP 261 Cb 0.01 -2.54 0.69 0.00 1.01 0.00 0.00 42.92 42.08 2wu9 s ASP 261 CO -0.02 -0.81 1.52 -0.90 0.21 0.00 0.00 175.17 175.17 2wu9 n ASP 262 N 6.40 1.92 -0.31 0.27 5.75 -1.10 -4.09 116.55 125.38 2wu9 n ASP 262 Ca 0.15 -1.76 0.12 0.00 -0.01 0.00 0.00 54.79 53.29 2wu9 n ASP 262 Cb 0.44 -0.13 0.15 0.00 -1.03 0.00 0.00 41.12 40.55 2wu9 n ASP 262 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wu9 n GLY 263 N 1.18 -0.41 3.74 6.12 0.00 -1.26 -4.82 105.19 109.74 2wu9 n GLY 263 Ca 0.16 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 2wu9 n GLY 263 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wu9 s ILE 264 N -2.58 3.32 -0.42 -0.61 1.01 -0.97 -4.75 121.20 116.20 2wu9 s ILE 264 Ca 0.19 1.13 0.02 0.00 0.00 0.00 0.00 60.65 61.99 2wu9 s ILE 264 Cb 0.18 -3.72 0.13 0.00 0.01 0.00 0.00 42.46 39.06 2wu9 s ILE 264 CO 0.59 0.19 0.20 -0.13 0.00 0.00 0.00 174.94 175.79 2wu9 s ARG 265 N -0.41 1.29 0.59 2.79 1.81 -1.26 -4.99 118.95 118.78 2wu9 s ARG 265 Ca 0.54 -1.92 0.39 0.00 -1.72 0.00 0.00 55.73 53.02 2wu9 s ARG 265 Cb -0.35 -2.48 2.01 0.00 -0.45 0.00 0.00 34.95 33.68 2wu9 s ARG 265 CO 0.39 -1.11 2.19 -1.35 -0.68 0.00 0.00 175.30 174.75 2wu9 h PRO 266 N 7.01 0.00 -0.33 3.54 0.11 -1.95 -1.80 132.00 138.59 2wu9 h PRO 266 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2wu9 h PRO 266 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2wu9 h PRO 266 CO 0.51 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.55 2wu9 n THR 267 N -2.98 0.41 -2.16 -1.15 -2.24 -1.26 -4.88 114.28 100.02 2wu9 n THR 267 Ca -0.02 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 2wu9 n THR 267 Cb 0.13 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2wu9 n THR 267 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2wu9 s THR 268 N -1.66 3.53 0.28 4.28 2.01 -0.68 -4.90 115.64 118.50 2wu9 s THR 268 Ca 0.17 0.96 0.02 0.00 0.31 0.00 0.00 61.69 63.15 2wu9 s THR 268 Cb 0.09 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 2wu9 s THR 268 CO 0.11 0.01 0.10 0.42 -0.69 0.00 0.00 174.62 174.56 2wu9 s THR 269 N 2.25 0.66 0.36 -0.82 -4.23 -1.26 -4.82 115.64 107.77 2wu9 s THR 269 Ca 0.66 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.21 2wu9 s THR 269 Cb -0.34 -2.65 0.28 0.00 1.34 0.00 0.00 72.50 71.14 2wu9 s THR 269 CO 0.28 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 176.28 2wu9 h LEU 270 N 2.29 0.68 -0.38 4.79 3.38 -1.95 -1.53 115.31 122.60 2wu9 h LEU 270 Ca -0.38 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 2wu9 h LEU 270 Cb 1.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2wu9 h LEU 270 CO 0.61 0.47 -0.09 0.00 0.09 0.00 0.00 178.44 179.52 2wu9 h ALA 271 N 1.61 0.52 -0.40 1.53 0.00 -1.98 -0.83 119.26 119.71 2wu9 h ALA 271 Ca 0.27 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2wu9 h ALA 271 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2wu9 h ALA 271 CO -0.08 0.38 -0.37 0.66 0.00 0.00 0.00 179.25 179.85 2wu9 h SER 272 N 0.53 1.01 0.23 0.00 4.64 -1.83 -2.56 113.55 115.57 2wu9 h SER 272 Ca 0.09 -0.46 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 2wu9 h SER 272 Cb 0.61 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2wu9 h SER 272 CO 0.04 1.26 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.91 2wu9 h LEU 273 N 0.78 0.09 -1.78 5.97 3.38 -1.27 -2.82 115.31 119.66 2wu9 h LEU 273 Ca 0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2wu9 h LEU 273 Cb 0.96 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2wu9 h LEU 273 CO 0.09 0.37 -0.16 1.23 0.09 0.00 0.00 178.44 180.06 2wu9 h GLY 274 N 0.92 0.00 2.00 0.83 0.00 -0.72 -2.39 103.07 103.71 2wu9 h GLY 274 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 2wu9 h GLY 274 CO 0.04 0.00 -0.24 0.50 0.00 0.00 0.00 176.54 176.84 2wu9 h LYS 275 N 0.00 0.00 -6.91 4.80 1.57 -1.40 -3.45 116.57 111.18 2wu9 h LYS 275 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.26 2wu9 h LYS 275 Cb 0.36 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.73 2wu9 h LYS 275 CO 0.02 0.24 0.55 -0.51 -0.57 0.00 0.00 179.45 179.18 2wu9 s LEU 276 N -7.27 4.30 0.19 2.94 1.43 -0.90 -5.02 118.68 114.34 2wu9 s LEU 276 Ca -0.01 2.48 -0.06 0.00 -1.03 0.00 0.00 54.13 55.50 2wu9 s LEU 276 Cb 0.12 -3.86 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 2wu9 s LEU 276 CO 0.64 -0.61 0.45 -0.54 0.23 0.00 0.00 176.35 176.52 2wu9 s LYS 277 N -2.06 3.68 0.41 1.70 1.02 -1.26 -5.00 119.74 118.22 2wu9 s LYS 277 Ca 0.53 0.04 -0.27 0.00 0.02 0.00 0.00 55.97 56.30 2wu9 s LYS 277 Cb -0.34 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 34.11 2wu9 s LYS 277 CO 0.44 0.39 1.44 -2.14 -0.92 0.00 0.00 175.35 174.57 2wu9 s PRO 278 N -2.79 3.94 -0.14 -1.68 0.02 -1.26 -4.53 135.00 128.56 2wu9 s PRO 278 Ca 0.43 2.47 0.09 0.00 0.02 0.00 0.00 61.00 64.01 2wu9 s PRO 278 Cb -0.12 -2.83 -0.23 0.00 0.02 0.00 0.00 34.50 31.34 2wu9 s PRO 278 CO 0.24 -0.63 0.30 0.28 -0.33 0.00 0.00 177.00 176.85 2wu9 n VAL 279 N 0.19 1.56 -0.05 3.83 0.31 -0.86 -4.67 118.33 118.64 2wu9 n VAL 279 Ca 0.03 -0.75 -0.03 0.00 -0.01 0.00 0.00 64.34 63.58 2wu9 n VAL 279 Cb 0.41 -1.07 -0.11 0.00 -0.91 0.00 0.00 33.84 32.16 2wu9 n VAL 279 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wu9 n PHE 280 N -3.08 0.00 -4.10 3.52 3.01 -1.26 -4.96 117.46 110.59 2wu9 n PHE 280 Ca -0.29 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.03 2wu9 n PHE 280 Cb 1.07 -0.58 -0.13 0.00 -0.01 0.00 0.00 39.48 39.83 2wu9 n PHE 280 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2wu9 s LYS 281 N -2.52 0.43 0.48 -1.08 -0.14 -1.26 -4.94 119.74 110.71 2wu9 s LYS 281 Ca -0.06 -0.42 0.18 0.00 -1.36 0.00 0.00 55.97 54.31 2wu9 s LYS 281 Cb 0.06 -0.32 1.19 0.00 -1.68 0.00 0.00 37.83 37.08 2wu9 s LYS 281 CO 0.58 0.07 2.01 -0.22 -0.76 0.00 0.00 175.35 177.03 2wu9 h LYS 282 N 5.37 0.21 -0.26 1.68 3.64 -1.93 -1.40 116.57 123.87 2wu9 h LYS 282 Ca -0.31 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2wu9 h LYS 282 Cb 1.20 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2wu9 h LYS 282 CO 0.46 0.14 0.00 -0.40 -2.27 0.00 0.00 179.45 177.38 2wu9 n ASP 283 N -4.45 3.90 -4.78 4.20 5.75 -1.26 -4.84 116.55 115.07 2wu9 n ASP 283 Ca 0.08 -3.02 -0.29 0.00 -0.01 0.00 0.00 54.79 51.55 2wu9 n ASP 283 Cb 0.41 -0.55 0.13 0.00 -1.03 0.00 0.00 41.12 40.09 2wu9 n ASP 283 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wu9 s GLY 284 N -1.93 1.59 0.00 6.12 0.00 -0.53 -5.00 107.32 107.57 2wu9 s GLY 284 Ca 0.42 -0.42 0.09 0.00 0.00 0.00 0.00 44.72 44.81 2wu9 s GLY 284 CO 0.09 0.11 0.62 -1.30 0.00 0.00 0.00 173.10 172.62 2wu9 n THR 285 N -3.74 0.00 -2.87 0.90 -2.24 -1.26 -4.59 114.28 100.48 2wu9 n THR 285 Ca 0.06 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 2wu9 n THR 285 Cb 0.58 1.12 -0.04 0.00 -2.10 0.00 0.00 70.33 69.89 2wu9 n THR 285 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2wu9 s THR 286 N -1.18 4.85 0.43 4.28 2.01 -1.26 -4.91 115.64 119.86 2wu9 s THR 286 Ca 0.08 1.66 0.03 0.00 0.31 0.00 0.00 61.69 63.77 2wu9 s THR 286 Cb 0.07 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2wu9 s THR 286 CO 0.21 -0.01 0.05 0.42 -0.69 0.00 0.00 174.62 174.60 2wu9 s THR 287 N 2.40 1.11 0.48 -0.82 -4.23 -1.26 -2.03 115.64 111.29 2wu9 s THR 287 Ca 0.38 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.09 2wu9 s THR 287 Cb -0.16 -2.47 0.25 0.00 1.34 0.00 0.00 72.50 71.46 2wu9 s THR 287 CO 0.11 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.27 2wu9 h ALA 288 N 1.70 1.65 0.00 3.99 0.00 -1.93 -2.83 119.26 121.84 2wu9 h ALA 288 Ca -0.41 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2wu9 h ALA 288 Cb 1.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2wu9 h ALA 288 CO 0.69 0.13 -0.18 0.78 0.00 0.00 0.00 179.25 180.67 2wu9 h GLY 289 N 0.41 0.00 -1.01 0.00 0.00 -1.94 -3.19 103.07 97.34 2wu9 h GLY 289 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2wu9 h GLY 289 CO 0.01 0.00 -0.20 1.16 0.00 0.00 0.00 176.54 177.52 2wu9 n ASN 290 N -3.17 2.33 -4.51 0.19 0.23 -1.13 -4.80 115.26 104.40 2wu9 n ASN 290 Ca 0.03 -3.53 -0.24 0.00 -0.53 0.00 0.00 54.58 50.31 2wu9 n ASN 290 Cb 0.57 -0.53 -0.10 0.00 -2.08 0.00 0.00 39.78 37.65 2wu9 n ASN 290 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2wu9 s SER 291 N -2.82 3.79 0.71 0.53 0.01 -1.08 -0.82 113.70 114.02 2wu9 s SER 291 Ca 0.38 -0.98 -0.16 0.00 1.31 0.00 0.00 55.95 56.50 2wu9 s SER 291 Cb 0.35 -0.41 0.01 0.00 0.21 0.00 0.00 66.02 66.18 2wu9 s SER 291 CO -0.01 -0.01 1.08 -1.54 0.41 0.00 0.00 173.24 173.18 2wu9 n SER 292 N -0.70 0.97 -4.79 2.44 3.41 0.01 -4.57 113.62 110.39 2wu9 n SER 292 Ca -0.05 0.71 -0.36 0.00 -0.26 0.00 0.00 58.87 58.91 2wu9 n SER 292 Cb 0.60 -1.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.03 2wu9 n SER 292 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wu9 s GLN 293 N -3.40 4.47 -0.15 4.33 -0.21 -1.01 -4.93 119.66 118.75 2wu9 s GLN 293 Ca 0.76 1.24 -0.29 0.00 0.02 0.00 0.00 55.36 57.09 2wu9 s GLN 293 Cb -0.35 -2.64 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 2wu9 s GLN 293 CO 0.47 0.20 1.13 0.08 -2.12 0.00 0.00 175.29 175.05 2wu9 s VAL 294 N -1.76 4.51 0.17 1.09 1.01 -1.26 -1.55 120.40 122.61 2wu9 s VAL 294 Ca 0.53 1.82 -0.06 0.00 0.00 0.00 0.00 61.98 64.27 2wu9 s VAL 294 Cb -0.16 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 2wu9 s VAL 294 CO 0.21 -0.10 0.22 -0.44 0.00 0.00 0.00 175.10 174.99 2wu9 s SER 295 N 1.45 0.12 -0.05 3.32 0.01 -1.26 -0.90 113.70 116.38 2wu9 s SER 295 Ca 0.50 -1.06 0.05 0.00 1.31 0.00 0.00 55.95 56.75 2wu9 s SER 295 Cb -0.19 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 2wu9 s SER 295 CO 0.14 -0.87 -0.21 -1.81 0.41 0.00 0.00 173.24 170.90 2wu9 s ASP 296 N -3.03 3.47 0.00 2.44 1.01 0.10 -3.11 116.67 117.55 2wu9 s ASP 296 Ca 0.24 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 53.12 2wu9 s ASP 296 Cb 0.05 -0.80 0.00 0.00 1.01 0.00 0.00 42.92 43.18 2wu9 s ASP 296 CO 0.04 0.29 0.00 0.61 0.21 0.00 0.00 175.17 176.32 2wu9 n GLY 297 N 2.68 -1.87 3.27 0.21 0.00 -0.38 -1.81 105.19 107.29 2wu9 n GLY 297 Ca -0.17 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 2wu9 n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wu9 s ALA 298 N -1.91 -0.82 0.07 4.61 0.00 -1.26 -1.87 121.76 120.58 2wu9 s ALA 298 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.21 2wu9 s ALA 298 Cb 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2wu9 s ALA 298 CO 0.00 -0.35 -0.06 0.20 0.00 0.00 0.00 175.76 175.55 2wu9 s GLY 299 N -1.71 0.61 -0.07 0.00 0.00 -0.28 -0.96 107.32 104.91 2wu9 s GLY 299 Ca -0.09 -1.17 -0.18 0.00 0.00 0.00 0.00 44.72 43.28 2wu9 s GLY 299 CO 0.01 -1.27 0.42 0.00 0.00 0.00 0.00 173.10 172.25 2wu9 s ALA 300 N -3.22 -1.06 -0.04 3.20 0.00 -0.15 -0.65 121.76 119.84 2wu9 s ALA 300 Ca 0.05 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.82 2wu9 s ALA 300 Cb 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2wu9 s ALA 300 CO -0.05 -0.26 -0.06 0.08 0.00 0.00 0.00 175.76 175.47 2wu9 s VAL 301 N -0.82 0.63 -0.28 0.00 1.01 0.47 -1.11 120.40 120.30 2wu9 s VAL 301 Ca -0.09 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 2wu9 s VAL 301 Cb -0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2wu9 s VAL 301 CO 0.04 0.24 0.17 -0.22 0.00 0.00 0.00 175.10 175.33 2wu9 s LEU 302 N 0.81 3.96 0.09 3.92 2.96 -0.05 -1.22 118.68 129.14 2wu9 s LEU 302 Ca -0.12 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 53.76 2wu9 s LEU 302 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2wu9 s LEU 302 CO 0.01 -0.07 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.98 2wu9 s LEU 303 N 1.72 2.45 0.21 -0.68 1.02 -0.09 -1.31 118.68 122.00 2wu9 s LEU 303 Ca 0.07 -0.59 -0.20 0.00 0.02 0.00 0.00 54.13 53.43 2wu9 s LEU 303 Cb -0.16 -1.39 0.04 0.00 0.02 0.00 0.00 46.19 44.70 2wu9 s LEU 303 CO 0.09 0.22 0.61 0.00 0.02 0.00 0.00 176.35 177.29 2wu9 s MET 304 N -1.74 1.47 0.35 1.70 0.23 -0.35 -1.06 119.30 119.91 2wu9 s MET 304 Ca 0.15 -0.78 -0.29 0.00 -1.03 0.00 0.00 55.69 53.74 2wu9 s MET 304 Cb -0.10 0.57 -0.11 0.00 -1.53 0.00 0.00 34.83 33.65 2wu9 s MET 304 CO 0.06 -0.65 1.48 1.63 -2.03 0.00 0.00 175.02 175.51 2wu9 n LYS 305 N -0.39 2.57 -0.27 3.16 5.02 -0.65 -0.98 118.16 126.62 2wu9 n LYS 305 Ca -0.10 0.90 0.06 0.00 -2.02 0.00 0.00 58.31 57.15 2wu9 n LYS 305 Cb 0.62 -2.62 0.20 0.00 -0.02 0.00 0.00 35.03 33.21 2wu9 n LYS 305 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2wu9 h ARG 306 N 3.35 0.49 -0.26 1.97 2.43 -0.80 -1.13 114.38 120.44 2wu9 h ARG 306 Ca -0.49 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 2wu9 h ARG 306 Cb 1.25 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2wu9 h ARG 306 CO 0.68 0.32 0.10 0.66 -1.51 0.00 0.00 179.97 180.22 2wu9 h SER 307 N 0.51 0.32 -0.15 -3.80 4.64 -1.54 0.27 113.55 113.80 2wu9 h SER 307 Ca 0.43 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.56 2wu9 h SER 307 Cb 0.64 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2wu9 h SER 307 CO -0.39 0.30 -0.55 0.58 -0.87 0.00 0.00 176.83 175.90 2wu9 h VAL 308 N 0.36 1.33 -0.99 0.95 2.07 -1.51 -0.49 116.25 117.97 2wu9 h VAL 308 Ca 0.09 -1.81 0.05 0.00 0.82 0.00 0.00 66.70 65.85 2wu9 h VAL 308 Cb 0.09 2.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 2wu9 h VAL 308 CO -0.01 0.56 0.64 0.00 0.02 0.00 0.00 177.57 178.78 2wu9 h ALA 309 N 0.53 1.40 -0.01 1.67 0.00 -0.68 -1.16 119.26 121.00 2wu9 h ALA 309 Ca -0.03 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2wu9 h ALA 309 Cb 1.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2wu9 h ALA 309 CO 0.12 0.47 -0.73 0.52 0.00 0.00 0.00 179.25 179.63 2wu9 h MET 310 N 1.19 0.10 -0.29 0.00 2.07 -0.85 -0.32 114.93 116.82 2wu9 h MET 310 Ca 0.41 -0.09 -0.09 0.00 -2.07 0.00 0.00 59.70 57.87 2wu9 h MET 310 Cb 0.11 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 2wu9 h MET 310 CO -0.15 0.78 -0.20 0.37 1.07 0.00 0.00 176.91 178.79 2wu9 h GLN 311 N 0.06 0.53 -0.00 1.72 -0.00 -0.66 -2.93 115.11 113.84 2wu9 h GLN 311 Ca -0.02 -0.18 0.00 0.00 -0.00 0.00 0.00 58.65 58.45 2wu9 h GLN 311 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.73 2wu9 h GLN 311 CO 0.10 0.70 -0.29 1.63 0.00 0.00 0.00 178.83 180.97 2wu9 n LYS 312 N -4.15 0.14 -2.45 1.69 5.02 -0.48 -4.95 118.16 112.97 2wu9 n LYS 312 Ca 0.00 -0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.13 2wu9 n LYS 312 Cb 0.38 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.90 2wu9 n LYS 312 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wu9 n GLY 313 N 1.46 0.04 3.70 0.72 0.00 -0.32 -5.01 105.19 105.78 2wu9 n GLY 313 Ca 0.07 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 2wu9 n GLY 313 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wu9 s LEU 314 N -3.26 4.21 0.39 0.99 1.43 -0.28 -5.02 118.68 117.15 2wu9 s LEU 314 Ca 0.09 0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 53.52 2wu9 s LEU 314 Cb -0.04 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 2wu9 s LEU 314 CO 0.11 -0.00 1.19 -2.16 0.23 0.00 0.00 176.35 175.72 2wu9 s PRO 315 N 0.86 4.08 -0.21 1.29 0.04 -1.26 -4.64 135.00 135.16 2wu9 s PRO 315 Ca 0.20 1.90 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 2wu9 s PRO 315 Cb -0.14 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 2wu9 s PRO 315 CO 0.07 -0.32 0.67 0.08 0.04 0.00 0.00 177.00 177.55 2wu9 s VAL 316 N -1.37 4.98 0.02 -0.36 1.01 -1.26 -4.66 120.40 118.76 2wu9 s VAL 316 Ca 0.56 1.26 -0.09 0.00 0.00 0.00 0.00 61.98 63.70 2wu9 s VAL 316 Cb -0.32 -3.98 -0.31 0.00 0.00 0.00 0.00 36.38 31.76 2wu9 s VAL 316 CO 0.41 0.06 0.92 0.25 0.00 0.00 0.00 175.10 176.74 2wu9 h LEU 317 N 8.50 0.61 -7.61 3.92 5.85 -1.09 -1.80 115.31 123.68 2wu9 h LEU 317 Ca -0.29 -0.74 0.05 0.00 0.84 0.00 0.00 57.88 57.74 2wu9 h LEU 317 Cb 1.13 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 2wu9 h LEU 317 CO 0.79 1.60 0.25 -0.83 -0.34 0.00 0.00 178.44 179.90 2wu9 s GLY 318 N -4.81 -0.29 -0.11 3.75 0.00 -1.03 -1.54 107.32 103.31 2wu9 s GLY 318 Ca -0.09 0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.68 2wu9 s GLY 318 CO 0.89 0.01 -0.22 0.14 0.00 0.00 0.00 173.10 173.92 2wu9 s VAL 319 N -3.80 1.96 0.05 1.40 1.01 0.45 -0.19 120.40 121.29 2wu9 s VAL 319 Ca 0.08 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 2wu9 s VAL 319 Cb -0.04 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 2wu9 s VAL 319 CO -0.01 0.54 1.25 0.12 0.00 0.00 0.00 175.10 177.00 2wu9 s PHE 320 N 0.52 3.32 -0.03 5.22 5.36 -0.29 -0.77 117.98 131.29 2wu9 s PHE 320 Ca -0.15 1.18 -0.06 0.00 -0.96 0.00 0.00 56.93 56.94 2wu9 s PHE 320 Cb -0.17 -3.49 -0.02 0.00 -0.34 0.00 0.00 43.02 39.00 2wu9 s PHE 320 CO 0.05 -1.59 -0.13 0.54 -1.46 0.00 0.00 175.22 172.64 2wu9 n ARG 321 N 4.23 0.19 -4.08 10.12 5.12 -0.33 -4.56 116.66 127.36 2wu9 n ARG 321 Ca 0.10 0.08 -0.09 0.00 -1.93 0.00 0.00 57.85 56.00 2wu9 n ARG 321 Cb 0.45 -0.76 -0.09 0.00 -1.16 0.00 0.00 32.46 30.90 2wu9 n ARG 321 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2wu9 s THR 322 N -2.02 0.11 -0.09 0.55 -4.23 -1.08 -4.97 115.64 103.91 2wu9 s THR 322 Ca -0.10 -1.72 -0.08 0.00 -1.18 0.00 0.00 61.69 58.61 2wu9 s THR 322 Cb 0.01 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 72.02 2wu9 s THR 322 CO 0.15 -0.52 0.24 0.12 -0.54 0.00 0.00 174.62 174.07 2wu9 s PHE 323 N -4.00 -0.27 -0.02 3.99 5.36 -1.26 -1.30 117.98 120.48 2wu9 s PHE 323 Ca 0.18 0.66 0.03 0.00 -0.96 0.00 0.00 56.93 56.84 2wu9 s PHE 323 Cb 0.06 0.08 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 2wu9 s PHE 323 CO -0.01 -0.14 -0.09 0.00 -1.46 0.00 0.00 175.22 173.51 2wu9 s ALA 324 N 0.32 0.88 -0.16 11.12 0.00 0.31 -4.89 121.76 129.33 2wu9 s ALA 324 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 2wu9 s ALA 324 Cb -0.03 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.82 2wu9 s ALA 324 CO -0.01 0.15 -0.02 0.00 0.00 0.00 0.00 175.76 175.88 2wu9 s ALA 325 N 0.15 1.25 0.15 0.00 0.00 -1.26 -1.18 121.76 120.87 2wu9 s ALA 325 Ca -0.02 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.32 2wu9 s ALA 325 Cb -0.08 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2wu9 s ALA 325 CO 0.00 -0.84 -0.20 0.14 0.00 0.00 0.00 175.76 174.86 2wu9 s VAL 326 N 1.74 1.88 0.09 0.00 -7.23 -0.16 -4.97 120.40 111.74 2wu9 s VAL 326 Ca 0.01 -1.84 -0.07 0.00 -1.81 0.00 0.00 61.98 58.26 2wu9 s VAL 326 Cb -0.15 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 2wu9 s VAL 326 CO -0.07 -0.22 0.37 -0.83 -0.31 0.00 0.00 175.10 174.04 2wu9 s GLY 327 N -2.47 2.29 0.28 2.32 0.00 -1.26 -0.82 107.32 107.66 2wu9 s GLY 327 Ca 0.14 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.41 2wu9 s GLY 327 CO 0.06 -0.32 0.19 -1.34 0.00 0.00 0.00 173.10 171.70 2wu9 s VAL 328 N -1.47 0.13 -0.03 1.40 -7.23 0.60 -4.90 120.40 108.91 2wu9 s VAL 328 Ca 0.35 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.20 2wu9 s VAL 328 Cb -0.13 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.20 2wu9 s VAL 328 CO 0.20 0.00 1.95 -0.67 -0.31 0.00 0.00 175.10 176.27 2wu9 n ASP 329 N -0.93 3.82 -0.04 4.85 -0.08 -1.26 -4.51 116.55 118.39 2wu9 n ASP 329 Ca 0.03 0.91 0.16 0.00 -1.51 0.00 0.00 54.79 54.38 2wu9 n ASP 329 Cb 0.64 -1.46 0.59 0.00 2.34 0.00 0.00 41.12 43.24 2wu9 n ASP 329 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2wu9 h PRO 330 N 10.17 0.20 0.00 -0.67 0.11 -1.85 -1.28 132.00 138.68 2wu9 h PRO 330 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2wu9 h PRO 330 Cb 1.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wu9 h PRO 330 CO 0.95 0.13 -0.07 0.00 -0.21 0.00 0.00 178.00 178.79 2wu9 h ALA 331 N 1.72 1.11 -1.12 -0.75 0.00 -1.89 -2.96 119.26 115.37 2wu9 h ALA 331 Ca 0.27 -0.07 -0.44 0.00 0.00 0.00 0.00 54.91 54.67 2wu9 h ALA 331 Cb 0.78 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.15 2wu9 h ALA 331 CO -0.05 0.09 -1.01 0.44 0.00 0.00 0.00 179.25 178.72 2wu9 n ILE 332 N -3.33 1.57 0.12 0.00 -5.35 -0.51 -4.48 119.36 107.38 2wu9 n ILE 332 Ca -0.01 -3.76 0.19 0.00 -0.27 0.00 0.00 62.75 58.90 2wu9 n ILE 332 Cb 0.25 -0.05 0.77 0.00 -1.74 0.00 0.00 39.64 38.87 2wu9 n ILE 332 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wu9 h MET 333 N 2.78 0.00 0.00 6.28 -0.00 -1.32 -1.59 114.93 121.08 2wu9 h MET 333 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2wu9 h MET 333 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.72 2wu9 h MET 333 CO 0.61 0.00 0.07 0.78 -0.00 0.00 0.00 176.91 178.37 2wu9 h GLY 334 N 0.00 0.00 1.50 -3.00 0.00 -1.88 -1.39 103.07 98.29 2wu9 h GLY 334 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2wu9 h GLY 334 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 2wu9 n ILE 335 N -2.78 0.21 -0.36 2.60 -5.35 -0.60 -4.33 119.36 108.75 2wu9 n ILE 335 Ca -0.02 0.05 -0.04 0.00 -0.27 0.00 0.00 62.75 62.47 2wu9 n ILE 335 Cb 0.12 -0.66 -0.00 0.00 -1.74 0.00 0.00 39.64 37.36 2wu9 n ILE 335 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wu9 n GLY 336 N 0.72 -2.05 0.26 3.28 0.00 -0.52 -0.42 105.19 106.45 2wu9 n GLY 336 Ca 0.12 1.05 0.10 0.00 0.00 0.00 0.00 46.02 47.29 2wu9 n GLY 336 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wu9 h PRO 337 N 0.00 0.00 0.00 1.61 0.11 -1.75 -0.02 132.00 131.94 2wu9 h PRO 337 Ca 0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 2wu9 h PRO 337 Cb 0.50 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 2wu9 h PRO 337 CO -0.90 0.05 -0.07 0.00 -0.21 0.00 0.00 178.00 176.87 2wu9 h ALA 338 N 1.95 1.10 0.01 -0.75 0.00 -1.06 -1.00 119.26 119.51 2wu9 h ALA 338 Ca -0.00 -0.06 -0.40 0.00 0.00 0.00 0.00 54.91 54.45 2wu9 h ALA 338 Cb 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2wu9 h ALA 338 CO 0.01 0.09 -2.42 0.28 0.00 0.00 0.00 179.25 177.21 2wu9 n VAL 339 N -3.32 1.53 0.00 0.00 0.31 -0.55 -4.46 118.33 111.85 2wu9 n VAL 339 Ca -0.01 -0.54 -0.13 0.00 -0.01 0.00 0.00 64.34 63.65 2wu9 n VAL 339 Cb 0.25 -1.53 -0.01 0.00 -0.91 0.00 0.00 33.84 31.65 2wu9 n VAL 339 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wu9 h ALA 340 N -0.14 0.51 0.11 3.52 0.00 -0.93 -3.06 119.26 119.28 2wu9 h ALA 340 Ca -0.58 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 53.75 2wu9 h ALA 340 Cb 1.86 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2wu9 h ALA 340 CO -0.12 0.71 -0.05 0.82 0.00 0.00 0.00 179.25 180.61 2wu9 h ILE 341 N 0.44 0.98 -0.91 0.00 2.04 -1.42 -1.20 117.51 117.43 2wu9 h ILE 341 Ca -0.03 -0.34 0.10 0.00 1.00 0.00 0.00 64.86 65.60 2wu9 h ILE 341 Cb 1.28 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 2wu9 h ILE 341 CO 0.13 0.08 0.59 -0.65 0.00 0.00 0.00 178.15 178.30 2wu9 h PRO 342 N -0.30 0.87 -0.12 2.37 0.11 -1.78 -0.26 132.00 132.89 2wu9 h PRO 342 Ca -0.01 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 2wu9 h PRO 342 Cb 0.25 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 2wu9 h PRO 342 CO 0.02 0.57 0.06 0.00 -0.21 0.00 0.00 178.00 178.45 2wu9 h ALA 343 N 1.55 0.16 -0.43 -0.75 0.00 -1.36 -0.09 119.26 118.34 2wu9 h ALA 343 Ca 0.43 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 2wu9 h ALA 343 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wu9 h ALA 343 CO -0.19 -0.29 -0.20 0.00 0.00 0.00 0.00 179.25 178.56 2wu9 h ALA 344 N 0.95 0.84 -0.19 0.00 0.00 -0.78 -1.86 119.26 118.22 2wu9 h ALA 344 Ca 0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2wu9 h ALA 344 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2wu9 h ALA 344 CO -0.01 0.64 -0.07 0.28 0.00 0.00 0.00 179.25 180.10 2wu9 h VAL 345 N 0.74 1.30 -0.41 0.00 2.07 -0.98 -2.43 116.25 116.54 2wu9 h VAL 345 Ca 0.10 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.62 2wu9 h VAL 345 Cb 0.73 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.04 2wu9 h VAL 345 CO 0.06 0.33 -0.02 0.50 0.02 0.00 0.00 177.57 178.45 2wu9 h LYS 346 N 0.10 0.08 0.00 1.57 3.64 -0.97 -1.65 116.57 119.34 2wu9 h LYS 346 Ca 0.05 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2wu9 h LYS 346 Cb 0.53 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2wu9 h LYS 346 CO 0.02 0.05 -0.01 0.00 -2.27 0.00 0.00 179.45 177.24 2wu9 h ALA 347 N 1.37 1.88 -0.00 5.00 0.00 -1.22 -0.46 119.26 125.82 2wu9 h ALA 347 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wu9 h ALA 347 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wu9 h ALA 347 CO -0.36 0.02 -0.04 0.00 0.00 0.00 0.00 179.25 178.86 2wu9 n ALA 348 N -2.49 2.67 -1.58 0.00 0.00 -0.70 -4.90 120.51 113.52 2wu9 n ALA 348 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 2wu9 n ALA 348 Cb 0.10 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.15 2wu9 n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wu9 n GLY 349 N 1.18 0.41 3.65 0.00 0.00 -0.18 -5.05 105.19 105.19 2wu9 n GLY 349 Ca 0.18 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 2wu9 n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wu9 s LEU 350 N -0.56 2.91 0.29 0.99 1.43 -0.75 -5.04 118.68 117.95 2wu9 s LEU 350 Ca 0.00 -1.32 0.09 0.00 -1.03 0.00 0.00 54.13 51.87 2wu9 s LEU 350 Cb 0.00 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 2wu9 s LEU 350 CO 0.00 -0.48 0.08 -1.61 0.23 0.00 0.00 176.35 174.58 2wu9 s GLU 351 N -3.75 2.43 0.31 1.70 0.41 -1.26 -4.03 118.70 114.51 2wu9 s GLU 351 Ca 0.36 -1.40 0.04 0.00 -0.41 0.00 0.00 54.97 53.56 2wu9 s GLU 351 Cb 0.09 -2.24 0.64 0.00 -1.78 0.00 0.00 34.13 30.84 2wu9 s GLU 351 CO 0.19 0.28 1.86 -0.07 -0.49 0.00 0.00 175.26 177.03 2wu9 h LEU 352 N 1.70 0.83 -2.65 1.80 3.38 -1.97 -0.33 115.31 118.06 2wu9 h LEU 352 Ca -0.45 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2wu9 h LEU 352 Cb 1.25 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2wu9 h LEU 352 CO 0.61 0.45 -0.01 0.44 0.09 0.00 0.00 178.44 180.02 2wu9 h ASP 353 N 0.89 0.00 1.05 -0.43 3.32 -1.97 -1.93 116.42 117.35 2wu9 h ASP 353 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 2wu9 h ASP 353 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2wu9 h ASP 353 CO -0.23 0.01 0.00 0.47 -1.72 0.00 0.00 179.24 177.77 2wu9 n ASP 354 N -3.47 0.33 -4.66 6.45 8.00 -0.13 -4.75 116.55 118.31 2wu9 n ASP 354 Ca -0.03 0.54 -0.42 0.00 0.71 0.00 0.00 54.79 55.59 2wu9 n ASP 354 Cb 0.09 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.53 2wu9 n ASP 354 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wu9 s ILE 355 N -3.07 4.83 -0.19 0.53 -1.09 -0.73 -4.51 121.20 116.97 2wu9 s ILE 355 Ca 0.11 1.71 0.20 0.00 -2.23 0.00 0.00 60.65 60.44 2wu9 s ILE 355 Cb 0.14 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 2wu9 s ILE 355 CO 0.50 -0.04 0.99 0.44 -1.23 0.00 0.00 174.94 175.60 2wu9 h ASP 356 N 7.43 0.00 -3.81 3.58 3.32 -0.94 -3.48 116.42 122.52 2wu9 h ASP 356 Ca -0.26 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.70 2wu9 h ASP 356 Cb 1.11 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.43 2wu9 h ASP 356 CO 0.87 0.27 -0.13 -0.22 -1.72 0.00 0.00 179.24 178.31 2wu9 s LEU 357 N -5.62 0.01 0.00 1.55 2.96 -1.07 -4.87 118.68 111.64 2wu9 s LEU 357 Ca -0.01 1.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.99 2wu9 s LEU 357 Cb 0.09 1.73 -0.02 0.00 0.50 0.00 0.00 46.19 48.49 2wu9 s LEU 357 CO 0.79 -0.18 -0.18 -0.36 -1.32 0.00 0.00 176.35 175.10 2wu9 s PHE 358 N 0.43 1.61 -0.52 5.38 0.08 0.25 -1.30 117.98 123.92 2wu9 s PHE 358 Ca -0.01 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2wu9 s PHE 358 Cb -0.04 -1.02 0.13 0.00 -0.57 0.00 0.00 43.02 41.53 2wu9 s PHE 358 CO -0.01 0.00 0.29 -1.21 -0.10 0.00 0.00 175.22 174.18 2wu9 s GLU 359 N -0.64 2.10 -0.27 0.44 0.41 0.55 -0.87 118.70 120.42 2wu9 s GLU 359 Ca 0.07 -2.43 -0.09 0.00 -0.41 0.00 0.00 54.97 52.10 2wu9 s GLU 359 Cb -0.07 -3.46 -0.03 0.00 -1.78 0.00 0.00 34.13 28.78 2wu9 s GLU 359 CO -0.00 -1.10 0.13 0.42 -0.49 0.00 0.00 175.26 174.21 2wu9 s ILE 360 N 0.06 4.72 0.31 -1.63 1.01 -1.26 -0.97 121.20 123.44 2wu9 s ILE 360 Ca 0.15 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 2wu9 s ILE 360 Cb -0.23 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 38.87 2wu9 s ILE 360 CO -0.03 0.26 1.54 0.21 0.00 0.00 0.00 174.94 176.92 2wu9 s ASN 361 N 1.67 6.42 -1.28 3.58 2.47 -0.23 -4.88 114.94 122.68 2wu9 s ASN 361 Ca 0.06 2.93 -0.09 0.00 0.42 0.00 0.00 52.86 56.18 2wu9 s ASN 361 Cb -0.16 -2.64 0.16 0.00 -1.45 0.00 0.00 41.25 37.16 2wu9 s ASN 361 CO 0.07 -0.86 1.94 -0.62 -3.72 0.00 0.00 177.10 173.90 2wu9 n GLU 362 N 1.73 3.75 -0.03 0.43 1.02 -1.26 -4.71 120.64 121.58 2wu9 n GLU 362 Ca 0.06 -3.52 -0.12 0.00 -0.02 0.00 0.00 57.16 53.56 2wu9 n GLU 362 Cb 0.38 -2.88 -0.06 0.00 -0.02 0.00 0.00 31.44 28.86 2wu9 n GLU 362 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wu9 h ALA 363 N 5.59 0.14 -3.28 0.62 0.00 -1.96 -3.16 119.26 117.22 2wu9 h ALA 363 Ca 0.43 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 2wu9 h ALA 363 Cb 0.59 -0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.06 2wu9 h ALA 363 CO 1.61 -0.23 -0.53 -0.06 0.00 0.00 0.00 179.25 180.04 2wu9 s PHE 364 N -5.31 -0.20 0.37 0.00 0.08 -1.26 -0.81 117.98 110.86 2wu9 s PHE 364 Ca -0.14 0.49 0.09 0.00 0.12 0.00 0.00 56.93 57.49 2wu9 s PHE 364 Cb 0.06 0.04 0.84 0.00 -0.57 0.00 0.00 43.02 43.39 2wu9 s PHE 364 CO 0.69 -0.12 1.91 0.00 -0.10 0.00 0.00 175.22 177.61 2wu9 h ALA 365 N 6.25 1.85 -0.30 5.36 0.00 -1.27 -1.05 119.26 130.10 2wu9 h ALA 365 Ca -0.30 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2wu9 h ALA 365 Cb 1.18 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 2wu9 h ALA 365 CO 0.40 -0.04 -0.49 0.66 0.00 0.00 0.00 179.25 179.78 2wu9 h SER 366 N 0.65 -1.61 0.82 0.00 4.64 -1.90 0.67 113.55 116.82 2wu9 h SER 366 Ca 0.38 0.22 -0.19 0.00 -0.47 0.00 0.00 61.79 61.73 2wu9 h SER 366 Cb 0.59 0.66 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2wu9 h SER 366 CO -0.15 -0.42 -0.91 0.06 -0.87 0.00 0.00 176.83 174.54 2wu9 h GLN 367 N -0.44 0.05 -0.04 4.77 -0.00 -1.76 -1.68 115.11 116.02 2wu9 h GLN 367 Ca 0.09 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.67 2wu9 h GLN 367 Cb 0.62 0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 28.12 2wu9 h GLN 367 CO -0.52 0.92 0.02 0.35 -0.00 0.00 0.00 178.83 179.60 2wu9 h PHE 368 N 0.02 0.05 -0.41 0.06 3.57 -1.00 0.54 116.94 119.78 2wu9 h PHE 368 Ca -0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2wu9 h PHE 368 Cb 1.59 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.29 2wu9 h PHE 368 CO 0.01 0.11 0.18 0.28 -2.23 0.00 0.00 178.31 176.66 2wu9 h VAL 369 N -0.02 1.19 -0.16 1.41 2.07 -0.89 -1.46 116.25 118.40 2wu9 h VAL 369 Ca 0.01 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.02 2wu9 h VAL 369 Cb 0.07 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2wu9 h VAL 369 CO -0.00 0.21 -0.12 0.22 0.02 0.00 0.00 177.57 177.90 2wu9 h TYR 370 N 0.52 -0.29 -0.61 1.57 3.20 -1.09 -0.68 116.97 119.59 2wu9 h TYR 370 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2wu9 h TYR 370 Cb 0.15 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 2wu9 h TYR 370 CO -0.01 -0.18 0.27 0.00 -1.64 0.00 0.00 178.16 176.60 2wu9 h ARG 372 N 0.84 0.56 -0.17 0.00 2.43 -1.01 -1.81 114.38 115.21 2wu9 h ARG 372 Ca 0.21 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.21 2wu9 h ARG 372 Cb 0.16 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2wu9 h ARG 372 CO -0.02 0.37 -0.39 -0.91 -1.51 0.00 0.00 179.97 177.51 2wu9 h ASN 373 N 0.58 0.65 -0.81 -3.80 2.35 -0.83 -1.71 115.58 112.00 2wu9 h ASN 373 Ca 0.20 -0.56 0.02 0.00 -0.55 0.00 0.00 56.30 55.40 2wu9 h ASN 373 Cb 0.03 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 2wu9 h ASN 373 CO -0.10 1.09 0.53 0.50 -1.65 0.00 0.00 177.43 177.81 2wu9 h LYS 374 N 0.23 1.04 -0.00 0.81 1.63 -0.52 -1.83 116.57 117.93 2wu9 h LYS 374 Ca 0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2wu9 h LYS 374 Cb 1.00 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2wu9 h LYS 374 CO 0.09 0.69 -0.16 1.28 -3.45 0.00 0.00 179.45 177.89 2wu9 n LEU 375 N -4.54 0.28 -2.16 5.20 4.77 -0.69 -4.94 117.00 114.92 2wu9 n LEU 375 Ca 0.09 0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 56.10 2wu9 n LEU 375 Cb 0.04 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 2wu9 n LEU 375 CO 0.35 0.06 -0.11 0.61 -1.33 0.00 0.00 177.39 176.98 2wu9 n GLY 376 N 1.42 -0.29 3.79 -0.72 0.00 -0.69 -4.98 105.19 103.71 2wu9 n GLY 376 Ca 0.09 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2wu9 n GLY 376 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wu9 s LEU 377 N -5.07 4.01 -0.13 0.99 1.43 -0.70 -4.98 118.68 114.23 2wu9 s LEU 377 Ca 0.12 1.98 -0.29 0.00 -1.03 0.00 0.00 54.13 54.90 2wu9 s LEU 377 Cb -0.05 -4.35 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 2wu9 s LEU 377 CO 0.15 -0.61 1.77 -0.62 0.23 0.00 0.00 176.35 177.27 2wu9 s ASP 378 N -1.76 6.34 0.58 2.29 -1.08 -1.26 -4.86 116.67 116.92 2wu9 s ASP 378 Ca 0.62 2.01 0.27 0.00 -0.52 0.00 0.00 52.55 54.93 2wu9 s ASP 378 Cb -0.19 -2.53 1.62 0.00 -1.46 0.00 0.00 42.92 40.35 2wu9 s ASP 378 CO 0.24 -1.23 2.12 -0.65 0.52 0.00 0.00 175.17 176.17 2wu9 h PRO 379 N 10.97 0.00 0.00 4.34 0.11 -1.95 -1.55 132.00 143.92 2wu9 h PRO 379 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2wu9 h PRO 379 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wu9 h PRO 379 CO 0.97 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.15 2wu9 n GLU 380 N -3.95 0.05 -0.28 1.05 -0.58 -1.26 -2.96 120.64 112.71 2wu9 n GLU 380 Ca 0.01 0.12 0.08 0.00 -0.42 0.00 0.00 57.16 56.96 2wu9 n GLU 380 Cb 0.28 -1.50 0.23 0.00 -0.57 0.00 0.00 31.44 29.89 2wu9 n GLU 380 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wu9 n LYS 381 N -1.46 2.87 -5.09 3.49 5.02 -0.58 -4.84 118.16 117.56 2wu9 n LYS 381 Ca 0.06 -2.36 -0.32 0.00 -2.02 0.00 0.00 58.31 53.67 2wu9 n LYS 381 Cb 0.24 -1.44 -0.17 0.00 -0.02 0.00 0.00 35.03 33.65 2wu9 n LYS 381 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wu9 s ILE 382 N -1.10 2.22 -1.25 -0.18 1.01 -1.15 -0.58 121.20 120.17 2wu9 s ILE 382 Ca 0.35 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.87 2wu9 s ILE 382 Cb 0.19 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.80 2wu9 s ILE 382 CO 0.23 0.55 0.63 0.59 0.00 0.00 0.00 174.94 176.94 2wu9 n ASN 383 N 3.58 -3.42 0.22 3.58 3.02 -0.05 -4.82 115.26 117.37 2wu9 n ASN 383 Ca -0.19 -1.09 0.15 0.00 -0.03 0.00 0.00 54.58 53.42 2wu9 n ASN 383 Cb 0.53 -2.83 0.59 0.00 -0.61 0.00 0.00 39.78 37.46 2wu9 n ASN 383 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2wu9 h VAL 384 N -2.04 0.00 -0.39 2.41 -1.51 -1.86 -0.32 116.25 112.54 2wu9 h VAL 384 Ca -0.67 -0.43 -0.03 0.00 -1.23 0.00 0.00 66.70 64.34 2wu9 h VAL 384 Cb 1.38 1.34 -0.02 0.00 -2.13 0.00 0.00 31.29 31.86 2wu9 h VAL 384 CO 0.54 0.00 0.02 0.59 -1.23 0.00 0.00 177.57 177.49 2wu9 n ASN 385 N -2.76 4.41 0.00 4.19 3.02 -1.26 -4.83 115.26 118.03 2wu9 n ASN 385 Ca 0.01 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.51 2wu9 n ASN 385 Cb 0.29 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 2wu9 n ASN 385 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wu9 n GLY 386 N -0.21 0.06 0.00 7.41 0.00 -0.13 -3.24 105.19 109.08 2wu9 n GLY 386 Ca 0.26 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2wu9 n GLY 386 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wu9 n GLY 387 N 0.21 4.60 0.30 -0.02 0.00 -1.26 -4.81 105.19 104.20 2wu9 n GLY 387 Ca 0.00 -1.63 0.16 0.00 0.00 0.00 0.00 46.02 44.56 2wu9 n GLY 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wu9 h ALA 388 N 1.00 1.32 0.00 4.61 0.00 -1.82 0.37 119.26 124.75 2wu9 h ALA 388 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2wu9 h ALA 388 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wu9 h ALA 388 CO 0.00 0.04 -0.23 0.52 0.00 0.00 0.00 179.25 179.58 2wu9 h MET 389 N 0.00 0.00 0.00 0.00 2.86 -1.81 -0.49 114.93 115.49 2wu9 h MET 389 Ca -0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 2wu9 h MET 389 Cb 0.10 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 2wu9 h MET 389 CO 0.00 0.23 -2.33 0.00 1.06 0.00 0.00 176.91 175.87 2wu9 n ALA 390 N -2.40 1.50 0.39 6.32 0.00 -0.06 -4.51 120.51 121.75 2wu9 n ALA 390 Ca -0.02 -1.06 0.04 0.00 0.00 0.00 0.00 53.44 52.40 2wu9 n ALA 390 Cb 0.31 -0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 2wu9 n ALA 390 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2wu9 n ILE 391 N -3.07 0.00 0.00 0.00 -5.35 -0.19 -2.28 119.36 108.47 2wu9 n ILE 391 Ca -0.39 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 2wu9 n ILE 391 Cb 0.98 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.85 2wu9 n ILE 391 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wu9 n GLY 392 N 1.24 1.86 2.39 3.28 0.00 -0.23 -4.63 105.19 109.11 2wu9 n GLY 392 Ca 0.01 -2.04 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 2wu9 n GLY 392 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wu9 n HIS 393 N 0.92 -1.25 -2.21 1.61 -0.00 -0.60 -4.35 115.22 109.34 2wu9 n HIS 393 Ca 0.00 -3.06 -0.43 0.00 0.46 0.00 0.00 57.72 54.69 2wu9 n HIS 393 Cb 0.00 0.30 -0.02 0.00 -0.12 0.00 0.00 29.99 30.15 2wu9 n HIS 393 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 2wu9 s PRO 394 N -0.19 3.41 0.12 1.57 0.02 -1.25 -4.18 135.00 134.49 2wu9 s PRO 394 Ca 0.33 1.03 -0.23 0.00 0.02 0.00 0.00 61.00 62.16 2wu9 s PRO 394 Cb 0.09 -4.12 -0.05 0.00 0.02 0.00 0.00 34.50 30.44 2wu9 s PRO 394 CO -0.16 -1.78 1.39 1.28 -0.33 0.00 0.00 177.00 177.41 2wu9 n LEU 395 N 9.64 -0.77 0.12 -5.54 4.77 -1.26 -0.55 117.00 123.41 2wu9 n LEU 395 Ca 0.18 1.57 0.01 0.00 -0.03 0.00 0.00 56.01 57.74 2wu9 n LEU 395 Cb 0.48 -0.30 0.34 0.00 -2.33 0.00 0.00 43.42 41.61 2wu9 n LEU 395 CO 0.70 -1.19 0.80 1.23 -1.33 0.00 0.00 177.39 177.60 2wu9 h GLY 396 N 0.00 0.22 1.70 -0.72 0.00 -1.80 -3.06 103.07 99.41 2wu9 h GLY 396 Ca 0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 2wu9 h GLY 396 CO -0.68 0.15 -0.45 0.00 0.00 0.00 0.00 176.54 175.55 2wu9 h ALA 397 N 1.57 0.98 -0.41 3.60 0.00 -0.96 -2.60 119.26 121.44 2wu9 h ALA 397 Ca 0.03 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.57 2wu9 h ALA 397 Cb 0.53 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2wu9 h ALA 397 CO 0.04 0.63 -0.04 1.15 0.00 0.00 0.00 179.25 181.03 2wu9 h THR 398 N 0.27 0.65 -0.10 0.00 2.02 -1.31 0.60 112.91 115.03 2wu9 h THR 398 Ca 0.02 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2wu9 h THR 398 Cb 0.90 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2wu9 h THR 398 CO 0.07 0.01 -0.19 1.23 0.37 0.00 0.00 175.52 177.02 2wu9 h GLY 399 N 0.06 0.18 0.47 2.16 0.00 -1.77 -0.19 103.07 103.99 2wu9 h GLY 399 Ca 0.20 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 2wu9 h GLY 399 CO -0.37 0.11 -0.81 0.00 0.00 0.00 0.00 176.54 175.46 2wu9 h ALA 400 N 1.65 0.01 -0.19 3.60 0.00 -1.39 -3.27 119.26 119.67 2wu9 h ALA 400 Ca 0.03 -0.78 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 2wu9 h ALA 400 Cb 0.43 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2wu9 h ALA 400 CO 0.03 0.42 -0.03 0.07 0.00 0.00 0.00 179.25 179.74 2wu9 h ARG 401 N -0.53 0.29 0.00 0.00 -0.00 -0.76 -1.88 114.38 111.49 2wu9 h ARG 401 Ca -0.16 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.98 59.72 2wu9 h ARG 401 Cb 1.51 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 31.43 2wu9 h ARG 401 CO 0.07 0.34 -0.22 0.00 -0.00 0.00 0.00 179.97 180.16 2wu9 h VAL 403 N 0.00 1.26 -0.22 0.00 2.07 -1.41 -0.26 116.25 117.69 2wu9 h VAL 403 Ca -0.00 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 2wu9 h VAL 403 Cb 0.50 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2wu9 h VAL 403 CO 0.03 0.38 0.04 0.00 0.02 0.00 0.00 177.57 178.03 2wu9 h ALA 404 N 1.09 0.29 -0.48 1.67 0.00 -1.25 -0.40 119.26 120.18 2wu9 h ALA 404 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wu9 h ALA 404 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2wu9 h ALA 404 CO 0.00 -0.03 0.27 1.15 0.00 0.00 0.00 179.25 180.64 2wu9 h THR 405 N 0.17 1.17 0.41 0.00 2.02 -1.10 -0.95 112.91 114.62 2wu9 h THR 405 Ca 0.07 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 2wu9 h THR 405 Cb 0.32 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2wu9 h THR 405 CO 0.00 0.18 -0.20 0.25 0.37 0.00 0.00 175.52 176.12 2wu9 h LEU 406 N 0.64 -0.47 -0.90 2.58 5.85 -1.01 -2.65 115.31 119.36 2wu9 h LEU 406 Ca 0.17 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 2wu9 h LEU 406 Cb 0.05 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2wu9 h LEU 406 CO -0.03 -0.20 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.66 2wu9 h LEU 407 N -0.72 0.64 -0.66 2.25 3.38 -0.95 -0.49 115.31 118.77 2wu9 h LEU 407 Ca -0.06 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 2wu9 h LEU 407 Cb 0.51 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2wu9 h LEU 407 CO 0.09 0.81 -0.49 0.45 0.09 0.00 0.00 178.44 179.38 2wu9 h HIS 408 N 0.59 0.54 -0.38 1.13 3.86 -1.21 -1.03 115.15 118.65 2wu9 h HIS 408 Ca 0.10 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 59.04 2wu9 h HIS 408 Cb 0.58 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2wu9 h HIS 408 CO 0.03 0.85 -0.13 1.49 0.86 0.00 0.00 177.93 181.03 2wu9 h GLU 409 N 0.35 0.76 -0.85 2.45 4.57 -1.17 -1.95 114.58 118.74 2wu9 h GLU 409 Ca 0.02 -0.31 0.03 0.00 -1.18 0.00 0.00 59.36 57.92 2wu9 h GLU 409 Cb 0.99 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.50 2wu9 h GLU 409 CO 0.09 0.92 0.56 0.52 -1.18 0.00 0.00 179.01 179.91 2wu9 h MET 410 N 0.56 1.05 0.32 1.92 2.86 -0.93 -0.51 114.93 120.20 2wu9 h MET 410 Ca 0.09 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2wu9 h MET 410 Cb 0.66 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 2wu9 h MET 410 CO 0.04 0.69 -0.18 -0.22 1.06 0.00 0.00 176.91 178.30 2wu9 h LYS 411 N 1.08 -0.46 -0.24 1.72 3.64 -1.00 -2.70 116.57 118.61 2wu9 h LYS 411 Ca 0.33 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 2wu9 h LYS 411 Cb -0.01 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2wu9 h LYS 411 CO -0.09 -0.31 0.03 0.00 -2.27 0.00 0.00 179.45 176.81 2wu9 h ARG 412 N -0.48 0.35 0.00 1.90 3.08 -0.94 -2.50 114.38 115.79 2wu9 h ARG 412 Ca -0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2wu9 h ARG 412 Cb 0.38 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2wu9 h ARG 412 CO 0.05 0.36 0.00 0.54 -1.07 0.00 0.00 179.97 179.84 2wu9 n ARG 413 N -4.37 0.06 0.00 0.04 1.74 -0.24 -5.01 116.66 108.88 2wu9 n ARG 413 Ca 0.01 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2wu9 n ARG 413 Cb 0.18 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2wu9 n ARG 413 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wu9 n GLY 414 N 1.19 -2.34 0.30 -0.13 0.00 -0.94 -4.42 105.19 98.85 2wu9 n GLY 414 Ca 0.06 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.65 2wu9 n GLY 414 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wu9 h LYS 415 N 0.00 0.00 0.00 1.61 1.57 -1.88 0.10 116.57 117.97 2wu9 h LYS 415 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2wu9 h LYS 415 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wu9 h LYS 415 CO 0.00 0.00 -0.09 -0.44 -0.57 0.00 0.00 179.45 178.35 2wu9 h ASP 416 N 0.00 0.00 -2.02 0.86 3.32 -1.94 -3.26 116.42 113.37 2wu9 h ASP 416 Ca 0.02 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 56.30 2wu9 h ASP 416 Cb 0.12 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.47 2wu9 h ASP 416 CO -0.00 0.09 1.51 0.00 -1.72 0.00 0.00 179.24 179.13 2wu9 h ARG 418 N 5.92 0.29 -5.67 0.00 2.43 -1.80 -3.41 114.38 112.14 2wu9 h ARG 418 Ca 0.32 -0.50 -0.63 0.00 -0.81 0.00 0.00 59.98 58.36 2wu9 h ARG 418 Cb 0.68 0.19 -0.31 0.00 -0.42 0.00 0.00 29.97 30.10 2wu9 h ARG 418 CO 1.46 1.17 -0.86 -0.06 -1.51 0.00 0.00 179.97 180.16 2wu9 s PHE 419 N -2.59 2.12 0.08 2.20 0.08 -1.26 -0.36 117.98 118.24 2wu9 s PHE 419 Ca -0.13 -0.63 0.02 0.00 0.12 0.00 0.00 56.93 56.31 2wu9 s PHE 419 Cb 0.06 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 2wu9 s PHE 419 CO 0.84 -0.20 -0.08 0.20 -0.10 0.00 0.00 175.22 175.88 2wu9 s GLY 420 N -0.06 0.70 -0.04 4.36 0.00 -0.11 -0.29 107.32 111.88 2wu9 s GLY 420 Ca -0.04 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.59 2wu9 s GLY 420 CO 0.03 -1.21 -0.18 0.14 0.00 0.00 0.00 173.10 171.88 2wu9 s VAL 421 N -2.68 1.49 -0.16 1.40 1.01 -0.42 -0.39 120.40 120.65 2wu9 s VAL 421 Ca 0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2wu9 s VAL 421 Cb -0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2wu9 s VAL 421 CO -0.02 0.43 -0.01 -0.69 0.00 0.00 0.00 175.10 174.80 2wu9 s VAL 422 N 0.01 4.13 0.03 2.92 1.01 -0.78 -0.33 120.40 127.39 2wu9 s VAL 422 Ca -0.04 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 2wu9 s VAL 422 Cb -0.12 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.46 2wu9 s VAL 422 CO 0.02 0.49 0.31 -0.55 0.00 0.00 0.00 175.10 175.37 2wu9 s SER 423 N 0.33 -0.14 0.03 3.32 0.15 -0.14 -1.14 113.70 116.11 2wu9 s SER 423 Ca -0.02 -0.12 -0.24 0.00 0.70 0.00 0.00 55.95 56.27 2wu9 s SER 423 Cb -0.14 0.35 0.06 0.00 -1.71 0.00 0.00 66.02 64.57 2wu9 s SER 423 CO 0.02 -0.57 0.55 0.00 1.20 0.00 0.00 173.24 174.44 2wu9 s MET 424 N -2.23 1.03 0.75 5.44 0.23 -0.76 -1.07 119.30 122.70 2wu9 s MET 424 Ca -0.07 -0.14 -0.11 0.00 -1.03 0.00 0.00 55.69 54.34 2wu9 s MET 424 Cb -0.02 0.48 0.04 0.00 -1.53 0.00 0.00 34.83 33.80 2wu9 s MET 424 CO -0.01 -0.36 1.08 0.00 -2.03 0.00 0.00 175.02 173.69 2wu9 s ILE 426 N -3.07 0.12 0.51 0.00 1.01 0.18 -4.58 121.20 115.37 2wu9 s ILE 426 Ca 0.59 0.17 -0.22 0.00 0.00 0.00 0.00 60.65 61.19 2wu9 s ILE 426 Cb -0.15 -0.25 -0.08 0.00 0.01 0.00 0.00 42.46 41.99 2wu9 s ILE 426 CO 0.55 0.15 1.02 0.61 0.00 0.00 0.00 174.94 177.27 2wu9 n GLY 427 N 4.44 -0.18 3.11 6.18 0.00 -1.26 -1.64 105.19 115.85 2wu9 n GLY 427 Ca -0.21 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2wu9 n GLY 427 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wu9 n THR 428 N -1.03 0.00 -0.01 2.61 -2.24 -1.26 -4.54 114.28 107.81 2wu9 n THR 428 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2wu9 n THR 428 Cb 0.43 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2wu9 n THR 428 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wu9 n GLY 429 N -2.00 0.85 3.28 3.38 0.00 -0.65 -4.25 105.19 105.80 2wu9 n GLY 429 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 2wu9 n GLY 429 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wu9 s MET 430 N -2.01 1.10 0.04 1.61 1.00 -0.89 -0.29 119.30 119.87 2wu9 s MET 430 Ca 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 55.69 54.43 2wu9 s MET 430 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 34.83 35.14 2wu9 s MET 430 CO 0.00 -0.38 -0.10 0.20 0.00 0.00 0.00 175.02 174.75 2wu9 s GLY 431 N -3.01 0.60 0.07 -0.03 0.00 -0.00 -0.65 107.32 104.30 2wu9 s GLY 431 Ca 0.21 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 44.20 2wu9 s GLY 431 CO 0.02 -0.81 -0.13 0.00 0.00 0.00 0.00 173.10 172.17 2wu9 s ALA 432 N -1.20 1.11 -0.10 3.20 0.00 -0.87 -0.99 121.76 122.92 2wu9 s ALA 432 Ca -0.06 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.73 2wu9 s ALA 432 Cb -0.09 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.99 2wu9 s ALA 432 CO 0.01 0.14 0.44 0.00 0.00 0.00 0.00 175.76 176.35 2wu9 s ALA 433 N -1.35 -1.12 -0.00 0.00 0.00 -0.32 -1.84 121.76 117.13 2wu9 s ALA 433 Ca -0.02 0.96 0.04 0.00 0.00 0.00 0.00 51.96 52.93 2wu9 s ALA 433 Cb -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 2wu9 s ALA 433 CO 0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 175.76 175.41 2wu9 s ALA 434 N -0.55 0.95 -0.19 0.00 0.00 -0.30 -0.53 121.76 121.15 2wu9 s ALA 434 Ca -0.07 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 2wu9 s ALA 434 Cb -0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 2wu9 s ALA 434 CO 0.03 0.23 0.10 0.08 0.00 0.00 0.00 175.76 176.21 2wu9 s VAL 435 N -0.32 5.16 0.14 0.00 1.01 -0.42 -1.87 120.40 124.11 2wu9 s VAL 435 Ca 0.04 0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.23 2wu9 s VAL 435 Cb -0.05 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2wu9 s VAL 435 CO -0.00 0.45 -0.25 -0.36 0.00 0.00 0.00 175.10 174.93 2wu9 s PHE 436 N 0.38 2.34 0.00 5.22 0.08 0.48 -1.19 117.98 125.29 2wu9 s PHE 436 Ca 0.06 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 56.79 2wu9 s PHE 436 Cb -0.12 -1.23 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 2wu9 s PHE 436 CO -0.01 0.39 -0.10 -2.00 -0.10 0.00 0.00 175.22 173.39 2wu9 s GLU 437 N -2.23 2.45 0.23 0.44 2.12 0.05 -0.93 118.70 120.83 2wu9 s GLU 437 Ca 0.16 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.42 2wu9 s GLU 437 Cb -0.10 -2.42 -0.10 0.00 0.26 0.00 0.00 34.13 31.77 2wu9 s GLU 437 CO 0.07 0.59 1.47 0.50 -0.54 0.00 0.00 175.26 177.36 2wu9 s ARG 438 N -1.31 4.25 0.52 4.30 3.52 0.52 -0.41 118.95 130.35 2wu9 s ARG 438 Ca 0.16 2.31 -0.17 0.00 -0.13 0.00 0.00 55.73 57.90 2wu9 s ARG 438 Cb -0.11 -3.12 -0.07 0.00 -1.56 0.00 0.00 34.95 30.08 2wu9 s ARG 438 CO 0.06 -0.47 1.00 0.20 -0.81 0.00 0.00 175.30 175.28 2wu9 s GLY 439 N 0.57 2.10 0.00 8.12 0.00 -0.59 -4.74 107.32 112.79 2wu9 s GLY 439 Ca 0.62 0.24 0.28 0.00 0.00 0.00 0.00 44.72 45.86 2wu9 s GLY 439 CO 0.40 0.53 1.80 1.22 0.00 0.00 0.00 173.10 177.04 2wu9 n ASP 440 N -1.60 1.01 0.00 1.64 8.00 -1.22 -4.84 116.55 119.53 2wu9 n ASP 440 Ca 0.07 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.44 2wu9 n ASP 440 Cb 0.54 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 2wu9 n ASP 440 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wu9 n GLY 441 N 1.20 2.81 0.10 0.44 0.00 -0.68 -1.72 105.19 107.34 2wu9 n GLY 441 Ca 0.17 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2wu9 n GLY 441 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wu9 n VAL 442 N 0.00 1.20 0.28 1.61 0.24 -1.26 -2.83 118.33 117.57 2wu9 n VAL 442 Ca 0.00 0.52 0.14 0.00 -2.04 0.00 0.00 64.34 62.97 2wu9 n VAL 442 Cb 0.00 -1.49 0.84 0.00 -1.47 0.00 0.00 33.84 31.72 2wu9 n VAL 442 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2wu9 h ASP 443 N 0.00 0.00 -0.02 -1.34 3.32 -1.76 -2.64 116.42 113.98 2wu9 h ASP 443 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wu9 h ASP 443 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2wu9 h ASP 443 CO 0.00 0.06 -0.14 -0.62 -1.72 0.00 0.00 179.24 176.82 2wu9 n GLU 444 N -3.71 1.99 -2.00 3.56 1.02 -1.13 -4.79 120.64 115.58 2wu9 n GLU 444 Ca -0.02 -1.64 -0.28 0.00 -0.02 0.00 0.00 57.16 55.19 2wu9 n GLU 444 Cb 0.16 -1.47 0.07 0.00 -0.02 0.00 0.00 31.44 30.18 2wu9 n GLU 444 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wu9 s LEU 445 N -2.14 2.74 0.51 -4.62 1.43 -0.99 -4.96 118.68 110.64 2wu9 s LEU 445 Ca 0.25 0.80 0.15 0.00 -1.03 0.00 0.00 54.13 54.30 2wu9 s LEU 445 Cb 0.19 -3.43 1.23 0.00 0.03 0.00 0.00 46.19 44.21 2wu9 s LEU 445 CO 0.38 -1.62 2.14 0.03 0.23 0.00 0.00 176.35 177.51 2wu9 h ARG 446 N -0.78 0.04 -0.64 1.70 3.08 -1.93 -2.41 114.38 113.45 2wu9 h ARG 446 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2wu9 h ARG 446 Cb 1.30 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2wu9 h ARG 446 CO 0.64 0.03 0.00 0.27 -1.07 0.00 0.00 179.97 179.84 2wu9 n ASN 447 N -4.53 4.35 0.00 7.04 0.23 -1.26 -5.24 115.26 115.85 2wu9 n ASN 447 Ca -0.02 -2.42 0.02 0.00 -0.53 0.00 0.00 54.58 51.62 2wu9 n ASN 447 Cb 0.09 -0.55 0.09 0.00 -2.08 0.00 0.00 39.78 37.33 2wu9 n ASN 447 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33