#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wu9 s LEU 47 N 0.00 4.46 0.21 2.46 1.43 -1.26 -4.96 118.68 121.02 2wu9 s LEU 47 Ca 0.00 1.68 -0.10 0.00 -1.03 0.00 0.00 54.13 54.68 2wu9 s LEU 47 Cb 0.00 -3.62 0.30 0.00 0.03 0.00 0.00 46.19 42.90 2wu9 s LEU 47 CO 0.00 0.07 1.71 0.22 0.23 0.00 0.00 176.35 178.58 2wu9 h TYR 48 N 3.72 0.23 0.00 0.29 3.20 -2.05 -0.43 116.97 121.93 2wu9 h TYR 48 Ca -0.47 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2wu9 h TYR 48 Cb 1.20 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2wu9 h TYR 48 CO 0.63 -0.02 0.00 0.78 -1.64 0.00 0.00 178.16 177.91 2wu9 h GLY 49 N 0.28 0.00 -0.34 1.82 0.00 -1.95 -2.09 103.07 100.79 2wu9 h GLY 49 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2wu9 h GLY 49 CO -0.40 0.00 -0.27 1.22 0.00 0.00 0.00 176.54 177.10 2wu9 n ASP 50 N -2.30 1.49 -4.69 0.19 8.00 -0.18 -1.12 116.55 117.94 2wu9 n ASP 50 Ca 0.01 -1.22 -0.42 0.00 0.71 0.00 0.00 54.79 53.88 2wu9 n ASP 50 Cb 0.17 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 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 -0.24 2.55 -4.58 -2.24 8.00 -0.79 -4.67 116.55 114.59 2wu9 n ASP 51 Ca 0.12 1.15 -0.43 0.00 0.71 0.00 0.00 54.79 56.35 2wu9 n ASP 51 Cb 0.40 -1.48 -0.04 0.00 -0.02 0.00 0.00 41.12 39.97 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 -1.16 4.62 0.11 2.53 1.01 -1.26 -0.39 120.40 125.86 2wu9 s VAL 52 Ca 0.59 0.91 0.04 0.00 0.00 0.00 0.00 61.98 63.52 2wu9 s VAL 52 Cb -0.54 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.50 2wu9 s VAL 52 CO 0.60 -0.57 0.07 0.68 0.00 0.00 0.00 175.10 175.87 2wu9 s VAL 53 N 3.37 4.35 -0.26 2.92 -7.23 0.40 -1.07 120.40 122.88 2wu9 s VAL 53 Ca 0.35 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 59.46 2wu9 s VAL 53 Cb -0.12 -3.13 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 2wu9 s VAL 53 CO 0.20 0.05 0.21 -0.63 -0.31 0.00 0.00 175.10 174.63 2wu9 s ILE 54 N -1.48 5.31 -0.76 -0.62 1.09 0.83 -1.14 121.20 124.43 2wu9 s ILE 54 Ca 0.29 0.25 0.16 0.00 -1.10 0.00 0.00 60.65 60.25 2wu9 s ILE 54 Cb -0.11 -3.55 -0.17 0.00 -1.06 0.00 0.00 42.46 37.57 2wu9 s ILE 54 CO 0.21 0.27 0.68 1.33 -0.10 0.00 0.00 174.94 177.34 2wu9 n VAL 55 N 4.73 0.00 -3.60 2.92 0.24 -0.47 -0.34 118.33 121.81 2wu9 n VAL 55 Ca -0.13 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 2wu9 n VAL 55 Cb 0.52 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.83 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 -2.49 -1.86 -0.17 2.33 0.00 -1.24 -4.67 121.76 113.65 2wu9 s ALA 56 Ca 0.06 1.77 -0.07 0.00 0.00 0.00 0.00 51.96 53.73 2wu9 s ALA 56 Cb 0.12 -0.95 0.08 0.00 0.00 0.00 0.00 23.12 22.36 2wu9 s ALA 56 CO 0.65 -0.31 0.37 0.00 0.00 0.00 0.00 175.76 176.47 2wu9 s ALA 57 N -0.21 -0.97 0.15 0.00 0.00 -1.26 -0.73 121.76 118.73 2wu9 s ALA 57 Ca -0.01 1.35 -0.04 0.00 0.00 0.00 0.00 51.96 53.26 2wu9 s ALA 57 Cb -0.03 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2wu9 s ALA 57 CO 0.01 -0.64 0.15 -1.01 0.00 0.00 0.00 175.76 174.26 2wu9 s HIS 58 N 2.35 0.72 0.08 0.00 3.76 -0.23 -4.75 115.29 117.22 2wu9 s HIS 58 Ca -0.02 -1.08 -0.13 0.00 -0.15 0.00 0.00 55.06 53.68 2wu9 s HIS 58 Cb -0.11 -0.33 0.02 0.00 1.11 0.00 0.00 32.58 33.26 2wu9 s HIS 58 CO -0.12 -0.60 0.30 -0.98 -0.85 0.00 0.00 174.74 172.49 2wu9 s ARG 59 N -4.03 0.89 0.76 1.40 1.70 -0.28 -0.65 118.95 118.74 2wu9 s ARG 59 Ca 0.23 -0.69 -0.12 0.00 -0.47 0.00 0.00 55.73 54.68 2wu9 s ARG 59 Cb 0.06 0.38 0.05 0.00 -0.57 0.00 0.00 34.95 34.87 2wu9 s ARG 59 CO 0.02 -0.30 1.10 0.95 -1.08 0.00 0.00 175.30 175.99 2wu9 s THR 60 N -3.28 3.13 0.86 4.99 -4.23 -0.16 -0.32 115.64 116.63 2wu9 s THR 60 Ca 0.00 0.37 -0.12 0.00 -1.18 0.00 0.00 61.69 60.76 2wu9 s THR 60 Cb 0.02 -3.23 0.10 0.00 1.34 0.00 0.00 72.50 70.72 2wu9 s THR 60 CO -0.08 -0.48 1.06 -2.65 -0.54 0.00 0.00 174.62 171.93 2wu9 n PRO 61 N -3.26 -0.10 -4.26 3.99 -0.02 -1.26 -4.72 135.00 125.37 2wu9 n PRO 61 Ca 0.07 0.04 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 2wu9 n PRO 61 Cb 0.57 -2.32 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 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 -5.21 3.65 0.10 2.45 1.43 -1.26 -4.61 118.68 115.23 2wu9 s LEU 62 Ca 0.69 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.96 2wu9 s LEU 62 Cb -0.26 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2wu9 s LEU 62 CO 0.56 0.30 -0.14 0.00 0.23 0.00 0.00 176.35 177.30 2wu9 s LYS 64 N -2.30 4.18 0.61 0.00 1.02 -1.26 -0.54 119.74 121.46 2wu9 s LYS 64 Ca 0.04 2.45 -0.18 0.00 0.02 0.00 0.00 55.97 58.30 2wu9 s LYS 64 Cb -0.07 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 2wu9 s LYS 64 CO 0.02 -0.68 1.20 -1.12 -0.92 0.00 0.00 175.35 173.85 2wu9 s SER 65 N 1.38 5.08 0.00 2.83 0.01 -0.23 -0.48 113.70 122.30 2wu9 s SER 65 Ca 0.73 2.34 0.00 0.00 1.31 0.00 0.00 55.95 60.33 2wu9 s SER 65 Cb -0.45 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.18 2wu9 s SER 65 CO 0.32 -1.66 0.00 0.29 0.41 0.00 0.00 173.24 172.60 2wu9 n LYS 66 N -1.78 0.00 -0.00 12.44 5.02 -1.26 -4.11 118.16 128.46 2wu9 n LYS 66 Ca 0.13 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.43 2wu9 n LYS 66 Cb 0.50 -0.10 -0.02 0.00 -0.02 0.00 0.00 35.03 35.39 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 3.56 -0.85 1.97 1.74 -1.25 -4.85 116.66 116.99 2wu9 n ARG 67 Ca 0.00 -0.01 -0.06 0.00 -0.77 0.00 0.00 57.85 57.01 2wu9 n ARG 67 Cb 0.00 -0.81 0.04 0.00 -1.02 0.00 0.00 32.46 30.67 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 1.62 -0.06 0.00 -0.13 0.00 0.37 -4.93 105.19 102.07 2wu9 n GLY 68 Ca 0.00 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.07 0.00 -0.90 1.61 3.02 -1.26 -1.85 115.26 112.81 2wu9 n ASN 69 Ca 0.04 0.38 0.07 0.00 -0.03 0.00 0.00 54.58 55.05 2wu9 n ASN 69 Cb 0.14 -0.45 0.22 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.45 0.77 0.27 3.10 3.72 -1.26 -4.63 117.46 117.98 2wu9 n PHE 70 Ca 0.05 -0.60 0.13 0.00 -0.05 0.00 0.00 57.45 56.99 2wu9 n PHE 70 Cb 0.19 -0.12 0.81 0.00 -0.94 0.00 0.00 39.48 39.43 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 2.50 0.00 -0.35 -1.08 2.10 -1.64 -1.34 116.57 116.76 2wu9 h LYS 71 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 2wu9 h LYS 71 Cb 1.02 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.29 2wu9 h LYS 71 CO 0.08 0.00 0.02 -0.25 -2.00 0.00 0.00 179.45 177.30 2wu9 n ASP 72 N -4.08 3.44 -4.38 7.07 8.00 -1.26 -4.88 116.55 120.46 2wu9 n ASP 72 Ca -0.02 -3.33 -0.34 0.00 0.71 0.00 0.00 54.79 51.81 2wu9 n ASP 72 Cb 0.13 -0.60 -0.13 0.00 -0.02 0.00 0.00 41.12 40.49 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 -3.01 3.48 0.61 -3.53 2.01 -0.51 -4.79 115.64 109.91 2wu9 s THR 73 Ca 0.45 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 2wu9 s THR 73 Cb 0.38 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 2wu9 s THR 73 CO 0.06 0.46 1.17 -0.31 -0.69 0.00 0.00 174.62 175.31 2wu9 s TYR 74 N 0.89 2.46 0.25 4.92 2.02 -1.26 -4.93 117.35 121.69 2wu9 s TYR 74 Ca -0.01 1.54 -0.04 0.00 -0.37 0.00 0.00 57.07 58.19 2wu9 s TYR 74 Cb -0.15 -3.37 0.36 0.00 -0.40 0.00 0.00 41.96 38.41 2wu9 s TYR 74 CO 0.01 -2.00 1.85 -1.35 -1.57 0.00 0.00 175.55 172.49 2wu9 h PRO 75 N 0.64 0.94 0.00 -1.71 0.11 -1.97 -1.18 132.00 128.82 2wu9 h PRO 75 Ca -0.49 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 2wu9 h PRO 75 Cb 1.28 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2wu9 h PRO 75 CO 0.55 0.62 -0.09 0.38 -0.21 0.00 0.00 178.00 179.25 2wu9 h ASP 76 N 0.97 0.00 1.04 -2.05 2.03 -1.92 -1.15 116.42 115.33 2wu9 h ASP 76 Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 2wu9 h ASP 76 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 2wu9 h ASP 76 CO -0.19 0.09 0.00 0.47 -1.03 0.00 0.00 179.24 178.58 2wu9 n ASP 77 N -4.26 0.07 0.04 4.15 8.00 -0.46 -1.19 116.55 122.90 2wu9 n ASP 77 Ca -0.03 0.51 -0.22 0.00 0.71 0.00 0.00 54.79 55.76 2wu9 n ASP 77 Cb 0.17 -0.53 -0.14 0.00 -0.02 0.00 0.00 41.12 40.60 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 0.00 0.50 0.00 0.64 3.38 -1.08 -3.39 115.31 115.36 2wu9 h LEU 78 Ca 0.00 -0.93 -0.20 0.00 0.09 0.00 0.00 57.88 56.84 2wu9 h LEU 78 Cb 0.52 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.12 2wu9 h LEU 78 CO 0.00 1.82 -0.77 0.25 0.09 0.00 0.00 178.44 179.83 2wu9 h LEU 79 N 0.09 0.67 -0.61 1.67 5.85 -1.33 -3.35 115.31 118.30 2wu9 h LEU 79 Ca -0.39 -0.76 0.10 0.00 0.84 0.00 0.00 57.88 57.67 2wu9 h LEU 79 Cb 2.06 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 2wu9 h LEU 79 CO 0.13 1.34 0.22 0.00 -0.34 0.00 0.00 178.44 179.79 2wu9 h ALA 80 N 0.34 0.78 -0.89 1.25 0.00 -1.37 -1.95 119.26 117.42 2wu9 h ALA 80 Ca -0.10 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2wu9 h ALA 80 Cb 1.46 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 2wu9 h ALA 80 CO 0.15 -0.20 0.58 -1.35 0.00 0.00 0.00 179.25 178.43 2wu9 h PRO 81 N 0.39 1.00 0.02 0.00 0.11 -1.76 -0.49 132.00 131.27 2wu9 h PRO 81 Ca 0.31 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 66.15 2wu9 h PRO 81 Cb 0.39 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2wu9 h PRO 81 CO -0.32 0.66 -0.94 -0.39 -0.21 0.00 0.00 178.00 176.80 2wu9 h VAL 82 N 1.03 1.53 -0.19 3.15 -1.51 -1.53 -1.49 116.25 117.24 2wu9 h VAL 82 Ca 0.38 -2.81 -0.02 0.00 -1.23 0.00 0.00 66.70 63.02 2wu9 h VAL 82 Cb 0.17 2.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 2wu9 h VAL 82 CO -0.14 0.81 0.05 -0.07 -1.23 0.00 0.00 177.57 177.00 2wu9 h LEU 83 N 0.08 0.28 -0.92 4.19 3.38 -1.08 -2.76 115.31 118.48 2wu9 h LEU 83 Ca -0.05 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2wu9 h LEU 83 Cb 1.60 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.23 2wu9 h LEU 83 CO 0.14 0.43 0.61 -0.09 0.09 0.00 0.00 178.44 179.62 2wu9 h ARG 84 N 0.12 1.20 -0.66 1.13 2.43 -1.07 -2.70 114.38 114.83 2wu9 h ARG 84 Ca 0.06 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2wu9 h ARG 84 Cb 0.25 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2wu9 h ARG 84 CO -0.00 0.80 0.30 0.00 -1.51 0.00 0.00 179.97 179.55 2wu9 h ALA 85 N 1.34 1.28 -0.77 2.80 0.00 -1.18 0.08 119.26 122.82 2wu9 h ALA 85 Ca 0.34 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2wu9 h ALA 85 Cb -0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 2wu9 h ALA 85 CO -0.08 0.55 0.51 -0.07 0.00 0.00 0.00 179.25 180.16 2wu9 h LEU 86 N 0.94 0.88 -0.09 0.00 3.38 -1.18 -0.83 115.31 118.42 2wu9 h LEU 86 Ca 0.23 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2wu9 h LEU 86 Cb 0.13 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2wu9 h LEU 86 CO -0.03 0.64 -0.08 0.40 0.09 0.00 0.00 178.44 179.45 2wu9 h ILE 87 N 1.04 1.36 -0.17 1.22 1.08 -1.37 -3.14 117.51 117.53 2wu9 h ILE 87 Ca 0.29 -1.24 -0.12 0.00 -0.39 0.00 0.00 64.86 63.39 2wu9 h ILE 87 Cb -0.11 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 2wu9 h ILE 87 CO -0.07 0.35 -0.43 -0.33 -0.69 0.00 0.00 178.15 176.99 2wu9 h GLU 88 N -0.21 0.40 0.00 2.37 5.08 -0.80 0.31 114.58 121.73 2wu9 h GLU 88 Ca 0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2wu9 h GLU 88 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2wu9 h GLU 88 CO 0.02 0.76 0.00 0.87 -1.00 0.00 0.00 179.01 179.66 2wu9 h LYS 89 N 0.33 0.00 -0.01 2.33 1.57 -1.24 -3.16 116.57 116.39 2wu9 h LYS 89 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wu9 h LYS 89 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2wu9 h LYS 89 CO 0.07 0.00 -0.19 0.25 -0.57 0.00 0.00 179.45 179.01 2wu9 n THR 90 N -2.69 0.00 -2.85 -0.16 -2.24 -1.06 -4.99 114.28 100.29 2wu9 n THR 90 Ca 0.04 -0.40 -0.20 0.00 -2.27 0.00 0.00 64.05 61.21 2wu9 n THR 90 Cb 0.41 1.11 0.01 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.26 -5.23 -4.76 3.42 3.02 0.07 -4.95 115.26 106.57 2wu9 n ASN 91 Ca 0.04 -0.16 -0.39 0.00 -0.03 0.00 0.00 54.58 54.03 2wu9 n ASN 91 Cb 0.20 -4.30 -0.05 0.00 -0.61 0.00 0.00 39.78 35.01 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 -6.33 4.47 -0.05 3.41 2.96 -1.04 -5.02 118.68 117.09 2wu9 s LEU 92 Ca 0.20 1.36 -0.30 0.00 -0.22 0.00 0.00 54.13 55.18 2wu9 s LEU 92 Cb -0.10 -3.09 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 2wu9 s LEU 92 CO 0.25 0.11 1.61 0.21 -1.32 0.00 0.00 176.35 177.21 2wu9 s ASN 93 N -0.41 6.70 0.62 3.68 3.84 -1.26 -4.84 114.94 123.27 2wu9 s ASN 93 Ca 0.34 2.20 0.37 0.00 0.21 0.00 0.00 52.86 55.98 2wu9 s ASN 93 Cb -0.20 -2.54 2.09 0.00 -0.55 0.00 0.00 41.25 40.05 2wu9 s ASN 93 CO 0.21 -0.90 2.30 1.55 -2.79 0.00 0.00 177.10 177.48 2wu9 h PRO 94 N 9.26 0.00 0.00 0.43 0.13 -1.95 -1.40 132.00 138.48 2wu9 h PRO 94 Ca -0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2wu9 h PRO 94 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2wu9 h PRO 94 CO 0.95 0.00 -0.00 1.03 -0.23 0.00 0.00 178.00 179.75 2wu9 h SER 95 N 0.00 0.00 0.78 1.44 0.87 -1.94 -1.92 113.55 112.78 2wu9 h SER 95 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2wu9 h SER 95 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2wu9 h SER 95 CO 0.00 0.00 -0.01 -0.62 -0.53 0.00 0.00 176.83 175.68 2wu9 n GLU 96 N -3.35 0.22 -2.56 2.24 1.02 -0.53 -4.80 120.64 112.89 2wu9 n GLU 96 Ca -0.03 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 2wu9 n GLU 96 Cb 0.08 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.78 4.47 0.13 2.62 1.01 -0.72 -4.56 120.40 120.56 2wu9 s VAL 97 Ca 0.21 1.77 0.06 0.00 0.00 0.00 0.00 61.98 64.03 2wu9 s VAL 97 Cb 0.20 -4.14 -0.20 0.00 0.00 0.00 0.00 36.38 32.24 2wu9 s VAL 97 CO 0.50 0.06 1.29 1.23 0.00 0.00 0.00 175.10 178.18 2wu9 h GLY 98 N 7.57 0.03 -4.14 4.51 0.00 -0.83 -3.44 103.07 106.76 2wu9 h GLY 98 Ca -0.36 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 46.93 2wu9 h GLY 98 CO 0.83 0.06 0.41 -0.35 0.00 0.00 0.00 176.54 177.49 2wu9 s ASP 99 N -6.76 -0.48 -0.23 0.19 2.15 -1.26 -4.49 116.67 105.80 2wu9 s ASP 99 Ca 0.00 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.45 2wu9 s ASP 99 Cb 0.10 0.40 0.03 0.00 -0.30 0.00 0.00 42.92 43.15 2wu9 s ASP 99 CO 0.82 -0.48 -0.11 -0.63 -0.17 0.00 0.00 175.17 174.60 2wu9 s ILE 100 N -1.40 2.48 -0.23 4.11 1.01 -0.75 -1.47 121.20 124.94 2wu9 s ILE 100 Ca -0.04 -1.15 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 2wu9 s ILE 100 Cb -0.00 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2wu9 s ILE 100 CO 0.03 0.24 -0.03 -0.69 0.00 0.00 0.00 174.94 174.49 2wu9 s VAL 101 N 1.26 3.43 -0.26 2.92 1.01 0.13 -1.10 120.40 127.79 2wu9 s VAL 101 Ca -0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2wu9 s VAL 101 Cb -0.16 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.65 2wu9 s VAL 101 CO -0.07 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 174.66 2wu9 s VAL 102 N 1.48 2.83 -0.06 2.92 1.01 -0.09 -0.18 120.40 128.30 2wu9 s VAL 102 Ca 0.05 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 2wu9 s VAL 102 Cb -0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2wu9 s VAL 102 CO -0.03 0.15 1.26 -0.83 0.00 0.00 0.00 175.10 175.65 2wu9 s GLY 103 N 1.30 1.96 -0.22 4.51 0.00 0.60 -1.36 107.32 114.10 2wu9 s GLY 103 Ca -0.01 0.65 -0.26 0.00 0.00 0.00 0.00 44.72 45.09 2wu9 s GLY 103 CO -0.04 2.34 0.72 -1.08 0.00 0.00 0.00 173.10 175.04 2wu9 s THR 104 N 2.52 0.00 -0.10 0.90 -1.32 -0.94 -0.78 115.64 115.93 2wu9 s THR 104 Ca 0.58 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.02 2wu9 s THR 104 Cb -0.26 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.68 2wu9 s THR 104 CO 0.22 0.00 -0.12 0.52 -2.21 0.00 0.00 174.62 173.03 2wu9 n VAL 105 N 2.28 0.56 0.16 5.08 0.31 -1.26 -4.50 118.33 120.96 2wu9 n VAL 105 Ca -0.15 -0.16 0.11 0.00 -0.01 0.00 0.00 64.34 64.13 2wu9 n VAL 105 Cb 0.55 -1.40 -0.06 0.00 -0.91 0.00 0.00 33.84 32.02 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 -3.25 0.49 -4.89 7.52 4.77 -1.26 -4.98 117.00 115.39 2wu9 n LEU 106 Ca -0.19 0.13 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 2wu9 n LEU 106 Cb 0.65 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2wu9 n LEU 106 CO 0.04 -0.07 0.53 0.00 -1.33 0.00 0.00 177.39 176.56 2wu9 s ALA 107 N -3.39 3.31 0.17 -1.18 0.00 -1.26 -4.85 121.76 114.55 2wu9 s ALA 107 Ca -0.02 -0.37 -0.33 0.00 0.00 0.00 0.00 51.96 51.23 2wu9 s ALA 107 Cb 0.12 -2.75 -0.15 0.00 0.00 0.00 0.00 23.12 20.34 2wu9 s ALA 107 CO 0.84 -0.45 1.33 -2.30 0.00 0.00 0.00 175.76 175.18 2wu9 n PRO 108 N -2.40 1.53 0.09 0.00 -0.02 -1.26 -4.87 135.00 128.07 2wu9 n PRO 108 Ca 0.02 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 2wu9 n PRO 108 Cb 0.55 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 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 4.26 -0.43 0.89 -1.23 0.00 -1.97 -2.35 103.07 102.24 2wu9 h GLY 109 Ca -0.45 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 2wu9 h GLY 109 CO 0.76 -0.21 0.05 0.23 0.00 0.00 0.00 176.54 177.37 2wu9 h SER 110 N -0.43 0.46 -0.26 0.19 0.87 -1.99 -1.07 113.55 111.31 2wu9 h SER 110 Ca 0.04 -0.25 0.06 0.00 -1.23 0.00 0.00 61.79 60.41 2wu9 h SER 110 Cb 0.48 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 2wu9 h SER 110 CO -0.18 0.60 -0.10 -0.61 -0.53 0.00 0.00 176.83 176.01 2wu9 h GLN 111 N 0.31 -0.05 -0.47 2.24 4.15 -1.93 -0.75 115.11 118.60 2wu9 h GLN 111 Ca 0.09 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.40 2wu9 h GLN 111 Cb 0.33 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2wu9 h GLN 111 CO 0.00 -0.04 -0.14 -0.09 -1.93 0.00 0.00 178.83 176.64 2wu9 h ARG 112 N -0.06 0.89 -0.39 1.69 9.65 -1.18 0.16 114.38 125.14 2wu9 h ARG 112 Ca 0.14 -0.33 -0.04 0.00 -1.10 0.00 0.00 59.98 58.65 2wu9 h ARG 112 Cb 0.26 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 2wu9 h ARG 112 CO -0.30 0.97 0.05 0.00 2.80 0.00 0.00 179.97 183.49 2wu9 h ALA 113 N 1.05 1.37 -0.33 2.80 0.00 -0.89 -0.82 119.26 122.44 2wu9 h ALA 113 Ca 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2wu9 h ALA 113 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2wu9 h ALA 113 CO 0.05 0.44 0.03 0.77 0.00 0.00 0.00 179.25 180.54 2wu9 h SER 114 N 0.57 0.54 -0.54 0.00 0.02 -0.33 -2.33 113.55 111.48 2wu9 h SER 114 Ca 0.13 -0.28 0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2wu9 h SER 114 Cb 0.28 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2wu9 h SER 114 CO 0.00 0.69 0.36 -0.33 -1.14 0.00 0.00 176.83 176.42 2wu9 h GLU 115 N 0.38 0.58 -0.35 3.45 5.08 -0.28 -0.62 114.58 122.82 2wu9 h GLU 115 Ca 0.10 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 2wu9 h GLU 115 Cb 0.40 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2wu9 h GLU 115 CO 0.01 0.38 -0.34 0.00 -1.00 0.00 0.00 179.01 178.07 2wu9 h ARG 117 N 0.65 0.54 -0.28 0.00 9.65 -0.81 -1.50 114.38 122.63 2wu9 h ARG 117 Ca 0.07 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.89 2wu9 h ARG 117 Cb 0.88 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.34 2wu9 h ARG 117 CO 0.08 0.47 0.14 0.52 2.80 0.00 0.00 179.97 183.98 2wu9 h MET 118 N 0.48 0.29 -0.75 0.20 2.86 -0.97 -1.87 114.93 115.16 2wu9 h MET 118 Ca 0.13 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.85 2wu9 h MET 118 Cb 0.10 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.62 2wu9 h MET 118 CO -0.02 0.19 0.40 0.00 1.06 0.00 0.00 176.91 178.55 2wu9 h ALA 119 N 1.14 1.06 -0.95 6.32 0.00 -0.78 0.59 119.26 126.63 2wu9 h ALA 119 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wu9 h ALA 119 Cb 0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2wu9 h ALA 119 CO -0.07 0.01 0.59 0.00 0.00 0.00 0.00 179.25 179.79 2wu9 h ALA 120 N 1.44 1.20 -0.53 0.00 0.00 -0.81 -0.74 119.26 119.83 2wu9 h ALA 120 Ca 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2wu9 h ALA 120 Cb 0.36 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2wu9 h ALA 120 CO -0.26 0.64 0.22 0.74 0.00 0.00 0.00 179.25 180.59 2wu9 h PHE 121 N 1.30 0.80 -0.75 0.00 0.04 -0.30 -1.26 116.94 116.76 2wu9 h PHE 121 Ca 0.34 -0.06 0.07 0.00 2.80 0.00 0.00 57.97 61.13 2wu9 h PHE 121 Cb -0.09 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 37.77 2wu9 h PHE 121 CO 0.00 0.65 0.49 1.88 -0.60 0.00 0.00 178.31 180.74 2wu9 h TYR 122 N 0.71 0.78 -0.01 -0.55 0.05 -0.32 -1.59 116.97 116.04 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 0.19 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.67 2wu9 h TYR 122 CO 0.00 0.40 0.00 0.00 -1.05 0.00 0.00 178.16 177.51 2wu9 n ALA 123 N -2.45 2.66 -0.32 3.88 0.00 -0.34 -4.89 120.51 119.06 2wu9 n ALA 123 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wu9 n ALA 123 Cb 0.26 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 1.01 0.83 3.79 0.00 0.00 -0.60 -4.49 105.19 105.72 2wu9 n GLY 124 Ca 0.22 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 3.67 0.81 1.61 0.08 -0.53 -4.89 117.98 116.73 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 -2.87 0.08 0.00 -0.57 0.00 0.00 43.02 39.66 2wu9 s PHE 125 CO 0.00 0.22 1.15 -1.25 -0.10 0.00 0.00 175.22 175.24 2wu9 s PRO 126 N -2.08 1.99 0.60 0.24 0.04 -1.26 -4.43 135.00 130.10 2wu9 s PRO 126 Ca 0.49 0.25 0.39 0.00 0.04 0.00 0.00 61.00 62.18 2wu9 s PRO 126 Cb -0.18 -1.94 2.00 0.00 0.04 0.00 0.00 34.50 34.42 2wu9 s PRO 126 CO 0.23 -1.60 2.19 1.05 0.04 0.00 0.00 177.00 178.91 2wu9 h GLU 127 N -1.07 0.00 0.00 4.56 4.11 -1.99 -2.89 114.58 117.30 2wu9 h GLU 127 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 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 0.64 0.00 0.00 1.79 0.07 0.00 0.00 179.01 181.51 2wu9 h THR 128 N 0.00 0.00 -3.47 -1.06 1.35 -1.97 -3.43 112.91 104.33 2wu9 h THR 128 Ca 0.00 -0.49 -0.60 0.00 -0.55 0.00 0.00 66.41 64.77 2wu9 h THR 128 Cb 0.16 1.40 -0.10 0.00 -1.73 0.00 0.00 68.15 67.88 2wu9 h THR 128 CO 0.00 0.00 0.42 -0.69 -0.25 0.00 0.00 175.52 175.00 2wu9 s VAL 129 N -3.28 4.75 0.79 6.82 1.01 -1.09 -5.04 120.40 124.36 2wu9 s VAL 129 Ca 0.06 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 2wu9 s VAL 129 Cb 0.10 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.35 2wu9 s VAL 129 CO 0.53 -0.34 1.09 0.00 0.00 0.00 0.00 175.10 176.39 2wu9 s ALA 130 N 3.06 2.16 -0.02 5.51 0.00 -1.26 -4.93 121.76 126.28 2wu9 s ALA 130 Ca 0.33 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.42 2wu9 s ALA 130 Cb -0.14 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2wu9 s ALA 130 CO 0.15 -1.84 0.14 0.08 0.00 0.00 0.00 175.76 174.29 2wu9 s VAL 131 N -2.92 0.05 0.20 0.00 1.01 -1.26 -1.81 120.40 115.67 2wu9 s VAL 131 Ca 0.61 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 2wu9 s VAL 131 Cb -0.17 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 35.87 2wu9 s VAL 131 CO 0.56 -0.24 0.48 0.00 0.00 0.00 0.00 175.10 175.90 2wu9 s ARG 132 N -0.84 1.36 0.26 2.72 1.70 -0.26 -4.95 118.95 118.94 2wu9 s ARG 132 Ca -0.09 -0.96 0.11 0.00 -0.47 0.00 0.00 55.73 54.33 2wu9 s ARG 132 Cb -0.05 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.77 2wu9 s ARG 132 CO 0.01 -0.57 -0.18 0.95 -1.08 0.00 0.00 175.30 174.44 2wu9 s THR 133 N -3.90 2.61 0.06 4.99 -4.23 -1.26 -0.91 115.64 112.99 2wu9 s THR 133 Ca 0.12 -2.26 0.03 0.00 -1.18 0.00 0.00 61.69 58.40 2wu9 s THR 133 Cb -0.00 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 2wu9 s THR 133 CO -0.01 -0.34 -0.09 0.68 -0.54 0.00 0.00 174.62 174.32 2wu9 s VAL 134 N -2.32 0.70 -0.22 2.29 -7.23 -0.47 -4.86 120.40 108.30 2wu9 s VAL 134 Ca 0.28 -1.29 -0.04 0.00 -1.81 0.00 0.00 61.98 59.13 2wu9 s VAL 134 Cb -0.06 -0.90 0.07 0.00 0.56 0.00 0.00 36.38 36.05 2wu9 s VAL 134 CO 0.15 -0.44 0.08 0.21 -0.31 0.00 0.00 175.10 174.79 2wu9 s ASN 135 N -1.89 2.97 -0.49 4.85 3.84 -1.26 -2.20 114.94 120.75 2wu9 s ASN 135 Ca -0.04 -0.94 0.07 0.00 0.21 0.00 0.00 52.86 52.16 2wu9 s ASN 135 Cb -0.07 -0.44 0.38 0.00 -0.55 0.00 0.00 41.25 40.57 2wu9 s ASN 135 CO 0.00 -0.37 0.97 -1.14 -2.79 0.00 0.00 177.10 173.78 2wu9 n ARG 136 N 5.16 2.85 0.00 0.43 0.63 -1.26 -5.01 116.66 119.47 2wu9 n ARG 136 Ca -0.07 -4.44 0.00 0.00 -0.92 0.00 0.00 57.85 52.42 2wu9 n ARG 136 Cb 0.46 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.27 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 -0.24 0.00 0.32 -0.14 1.13 -1.26 -1.86 117.38 115.33 2wu9 n GLN 137 Ca 0.31 0.00 0.20 0.00 -1.94 0.00 0.00 57.00 55.57 2wu9 n GLN 137 Cb 0.54 0.00 1.09 0.00 0.11 0.00 0.00 30.24 31.98 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 -3.35 0.89 -0.34 0.00 3.41 -0.78 -4.40 113.62 109.06 2wu9 n SER 139 Ca -0.03 -1.40 0.08 0.00 -0.26 0.00 0.00 58.87 57.26 2wu9 n SER 139 Cb 0.09 -0.02 0.25 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.32 0.79 -0.04 4.04 0.02 -1.31 0.68 113.55 119.05 2wu9 h SER 140 Ca 0.00 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 2wu9 h SER 140 Cb 0.28 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2wu9 h SER 140 CO 0.00 0.37 -0.28 1.23 -1.14 0.00 0.00 176.83 177.02 2wu9 h GLY 141 N 0.84 0.53 1.14 -3.77 0.00 -1.68 -0.52 103.07 99.60 2wu9 h GLY 141 Ca 0.50 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 47.14 2wu9 h GLY 141 CO -0.31 0.41 -0.93 -2.00 0.00 0.00 0.00 176.54 173.70 2wu9 h LEU 142 N 0.42 0.87 -0.91 3.11 5.85 -1.12 -3.12 115.31 120.41 2wu9 h LEU 142 Ca 0.06 -0.72 0.14 0.00 0.84 0.00 0.00 57.88 58.20 2wu9 h LEU 142 Cb 0.71 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.38 2wu9 h LEU 142 CO 0.05 1.47 0.52 -0.61 -0.34 0.00 0.00 178.44 179.53 2wu9 h GLN 143 N 0.35 0.74 -0.65 1.25 5.75 -0.65 -1.15 115.11 120.76 2wu9 h GLN 143 Ca -0.11 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.36 2wu9 h GLN 143 Cb 1.59 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.93 2wu9 h GLN 143 CO 0.18 0.49 0.42 0.00 -2.65 0.00 0.00 178.83 177.28 2wu9 h ALA 144 N 1.55 0.84 -0.46 3.38 0.00 -1.06 0.18 119.26 123.69 2wu9 h ALA 144 Ca 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 2wu9 h ALA 144 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2wu9 h ALA 144 CO -0.32 0.21 0.23 0.28 0.00 0.00 0.00 179.25 179.65 2wu9 h VAL 145 N 0.84 1.18 -0.68 0.00 2.07 -1.29 -2.02 116.25 116.35 2wu9 h VAL 145 Ca 0.25 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2wu9 h VAL 145 Cb -0.05 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2wu9 h VAL 145 CO -0.08 0.19 0.25 0.00 0.02 0.00 0.00 177.57 177.96 2wu9 h ALA 146 N 1.07 1.17 -0.90 1.67 0.00 -0.68 -1.20 119.26 120.39 2wu9 h ALA 146 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2wu9 h ALA 146 Cb 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2wu9 h ALA 146 CO -0.02 0.59 0.48 -0.44 0.00 0.00 0.00 179.25 179.87 2wu9 h ASP 147 N 0.98 1.13 -0.28 0.00 3.32 -0.45 0.12 116.42 121.25 2wu9 h ASP 147 Ca 0.23 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2wu9 h ASP 147 Cb 0.22 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2wu9 h ASP 147 CO -0.02 0.92 -0.09 0.58 -1.72 0.00 0.00 179.24 178.91 2wu9 h VAL 148 N 1.26 1.29 -0.65 -1.35 2.07 -1.02 -1.73 116.25 116.12 2wu9 h VAL 148 Ca 0.32 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.73 2wu9 h VAL 148 Cb 0.04 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2wu9 h VAL 148 CO -0.05 0.36 0.40 0.00 0.02 0.00 0.00 177.57 178.30 2wu9 h ALA 149 N 0.76 0.84 -0.64 1.67 0.00 -0.90 -0.88 119.26 120.11 2wu9 h ALA 149 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2wu9 h ALA 149 Cb 0.58 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2wu9 h ALA 149 CO 0.03 0.16 0.29 0.00 0.00 0.00 0.00 179.25 179.73 2wu9 h ALA 150 N 1.28 0.83 -0.62 0.00 0.00 -0.70 -1.04 119.26 119.00 2wu9 h ALA 150 Ca 0.26 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2wu9 h ALA 150 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2wu9 h ALA 150 CO -0.10 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.65 2wu9 h ALA 151 N 1.13 0.98 -0.09 0.00 0.00 -0.76 0.59 119.26 121.12 2wu9 h ALA 151 Ca 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2wu9 h ALA 151 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wu9 h ALA 151 CO -0.02 0.64 -0.01 0.82 0.00 0.00 0.00 179.25 180.67 2wu9 h ILE 152 N 0.96 1.28 -0.66 0.00 2.04 -0.98 0.14 117.51 120.29 2wu9 h ILE 152 Ca 0.19 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.22 2wu9 h ILE 152 Cb 0.43 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 2wu9 h ILE 152 CO 0.01 0.25 0.44 0.11 0.00 0.00 0.00 178.15 178.96 2wu9 h LYS 153 N -0.14 0.64 -0.00 2.37 1.57 -0.96 -1.22 116.57 118.83 2wu9 h LYS 153 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wu9 h LYS 153 Cb 0.40 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2wu9 h LYS 153 CO 0.01 0.43 -0.01 0.00 -0.57 0.00 0.00 179.45 179.30 2wu9 n ALA 154 N -2.47 2.53 -1.13 3.86 0.00 0.18 -4.91 120.51 118.57 2wu9 n ALA 154 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wu9 n ALA 154 Cb 0.24 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.27 0.38 0.19 0.00 0.00 -0.46 -4.95 105.19 101.62 2wu9 n GLY 155 Ca 0.15 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 0.61 -2.36 1.61 -1.00 -1.19 -3.48 116.94 111.14 2wu9 h PHE 156 Ca 0.00 -0.25 0.18 0.00 2.81 0.00 0.00 57.97 60.70 2wu9 h PHE 156 Cb 0.13 -0.10 -0.08 0.00 3.61 0.00 0.00 35.95 39.51 2wu9 h PHE 156 CO 0.00 1.00 0.49 1.52 -1.61 0.00 0.00 178.31 179.71 2wu9 s TYR 157 N -3.75 -0.11 -0.19 -0.55 -0.85 -1.25 -5.04 117.35 105.61 2wu9 s TYR 157 Ca -0.06 -0.21 0.19 0.00 -0.52 0.00 0.00 57.07 56.47 2wu9 s TYR 157 Cb 0.11 0.65 -0.28 0.00 0.38 0.00 0.00 41.96 42.81 2wu9 s TYR 157 CO 0.84 -0.85 0.50 -0.25 -1.52 0.00 0.00 175.55 174.27 2wu9 n ASP 158 N -0.53 0.62 -3.85 -0.18 8.00 -1.26 -4.12 116.55 115.22 2wu9 n ASP 158 Ca -0.06 -0.17 -0.15 0.00 0.71 0.00 0.00 54.79 55.12 2wu9 n ASP 158 Cb 0.61 1.72 -0.15 0.00 -0.02 0.00 0.00 41.12 43.28 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 -3.25 0.14 0.15 0.53 1.01 -1.26 -1.76 121.20 116.76 2wu9 s ILE 159 Ca -0.04 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 2wu9 s ILE 159 Cb 0.13 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.42 2wu9 s ILE 159 CO 0.80 0.09 0.33 -0.83 0.00 0.00 0.00 174.94 175.33 2wu9 s GLY 160 N 0.53 0.18 -0.18 6.18 0.00 -0.18 -0.11 107.32 113.73 2wu9 s GLY 160 Ca -0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 44.72 44.08 2wu9 s GLY 160 CO -0.01 -0.64 -0.13 -0.42 0.00 0.00 0.00 173.10 171.89 2wu9 s ILE 161 N -3.90 2.72 -0.21 0.90 1.01 -0.55 -0.97 121.20 120.19 2wu9 s ILE 161 Ca 0.11 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 2wu9 s ILE 161 Cb 0.03 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 2wu9 s ILE 161 CO -0.04 0.50 0.04 -0.83 0.00 0.00 0.00 174.94 174.60 2wu9 s GLY 162 N 1.10 1.79 0.33 6.18 0.00 -0.41 -0.69 107.32 115.61 2wu9 s GLY 162 Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.78 2wu9 s GLY 162 CO -0.04 0.29 0.13 0.00 0.00 0.00 0.00 173.10 173.48 2wu9 s ALA 163 N 1.05 2.22 -0.03 3.20 0.00 0.74 -0.41 121.76 128.54 2wu9 s ALA 163 Ca 0.03 -1.70 -0.09 0.00 0.00 0.00 0.00 51.96 50.20 2wu9 s ALA 163 Cb -0.14 0.96 0.01 0.00 0.00 0.00 0.00 23.12 23.95 2wu9 s ALA 163 CO 0.03 -0.43 0.20 0.20 0.00 0.00 0.00 175.76 175.76 2wu9 s GLY 164 N -3.44 -0.07 -0.18 0.00 0.00 0.14 -0.29 107.32 103.48 2wu9 s GLY 164 Ca 0.33 0.22 -0.12 0.00 0.00 0.00 0.00 44.72 45.15 2wu9 s GLY 164 CO 0.16 0.08 0.45 -2.27 0.00 0.00 0.00 173.10 171.52 2wu9 s LEU 165 N -0.87 -0.03 -0.19 0.66 2.96 0.04 -1.18 118.68 120.06 2wu9 s LEU 165 Ca -0.10 0.95 -0.15 0.00 -0.22 0.00 0.00 54.13 54.62 2wu9 s LEU 165 Cb -0.05 1.52 0.05 0.00 0.50 0.00 0.00 46.19 48.21 2wu9 s LEU 165 CO 0.02 -0.18 0.49 -0.70 -1.32 0.00 0.00 176.35 174.65 2wu9 s GLU 166 N 0.98 0.53 -0.43 1.98 2.56 -0.72 -4.03 118.70 119.57 2wu9 s GLU 166 Ca -0.06 0.77 0.03 0.00 0.00 0.00 0.00 54.97 55.70 2wu9 s GLU 166 Cb -0.06 0.18 0.12 0.00 2.00 0.00 0.00 34.13 36.36 2wu9 s GLU 166 CO -0.08 -0.10 0.17 0.45 -0.56 0.00 0.00 175.26 175.13 2wu9 s SER 167 N 0.72 4.72 0.17 -1.70 0.15 -1.26 -1.18 113.70 115.33 2wu9 s SER 167 Ca -0.04 -2.47 0.23 0.00 0.70 0.00 0.00 55.95 54.38 2wu9 s SER 167 Cb -0.05 -1.68 0.90 0.00 -1.71 0.00 0.00 66.02 63.49 2wu9 s SER 167 CO -0.05 -0.35 1.71 0.23 1.20 0.00 0.00 173.24 175.98 2wu9 n MET 168 N 3.87 0.16 -0.13 5.44 0.00 -1.16 -1.61 117.12 123.69 2wu9 n MET 168 Ca 0.04 0.29 -0.09 0.00 0.00 0.00 0.00 57.70 57.94 2wu9 n MET 168 Cb 0.38 -1.75 -0.00 0.00 0.00 0.00 0.00 33.22 31.85 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 1.17 0.13 2.03 2.02 -1.92 -3.34 112.91 113.00 2wu9 h THR 169 Ca 0.00 -0.50 -0.23 0.00 0.77 0.00 0.00 66.41 66.46 2wu9 h THR 169 Cb 0.46 0.76 0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2wu9 h THR 169 CO 0.00 0.19 -0.97 0.74 0.37 0.00 0.00 175.52 175.85 2wu9 h THR 170 N 0.51 1.41 -3.63 3.16 2.02 -1.68 -3.45 112.91 111.26 2wu9 h THR 170 Ca 0.14 -2.45 -0.68 0.00 0.77 0.00 0.00 66.41 64.19 2wu9 h THR 170 Cb 0.12 2.95 -0.32 0.00 -1.74 0.00 0.00 68.15 69.16 2wu9 h THR 170 CO -0.02 0.72 -0.73 0.20 0.37 0.00 0.00 175.52 176.06 2wu9 s ASN 171 N -7.12 4.56 0.59 4.18 -0.87 -0.70 -5.11 114.94 110.46 2wu9 s ASN 171 Ca -0.12 -1.05 -0.16 0.00 -1.57 0.00 0.00 52.86 49.96 2wu9 s ASN 171 Cb 0.03 -1.68 -0.04 0.00 -0.02 0.00 0.00 41.25 39.54 2wu9 s ASN 171 CO 0.87 -0.18 1.07 -2.16 -2.57 0.00 0.00 177.10 174.12 2wu9 s PRO 172 N 1.29 3.29 -0.68 -0.60 0.04 -1.26 -4.63 135.00 132.45 2wu9 s PRO 172 Ca -0.02 1.26 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 2wu9 s PRO 172 Cb -0.18 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.45 2wu9 s PRO 172 CO -0.03 -0.84 0.80 -1.64 0.04 0.00 0.00 177.00 175.33 2wu9 s MET 173 N -3.97 3.20 -0.22 4.56 -1.94 -1.26 -4.97 119.30 114.70 2wu9 s MET 173 Ca 0.65 -1.47 -0.17 0.00 -1.71 0.00 0.00 55.69 52.99 2wu9 s MET 173 Cb -0.17 -4.38 0.06 0.00 2.01 0.00 0.00 34.83 32.35 2wu9 s MET 173 CO 0.36 -1.58 0.56 0.00 -0.01 0.00 0.00 175.02 174.35 2wu9 s ALA 174 N 2.54 -1.42 0.25 3.03 0.00 -1.26 -5.15 121.76 119.76 2wu9 s ALA 174 Ca 0.16 1.74 -0.30 0.00 0.00 0.00 0.00 51.96 53.57 2wu9 s ALA 174 Cb -0.19 -1.02 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 2wu9 s ALA 174 CO 0.02 -0.29 1.16 -0.46 0.00 0.00 0.00 175.76 176.20 2wu9 s TRP 175 N 0.76 3.45 -0.14 0.00 -0.11 -1.26 -5.03 118.94 116.61 2wu9 s TRP 175 Ca -0.04 1.56 -0.03 0.00 1.22 0.00 0.00 56.10 58.82 2wu9 s TRP 175 Cb -0.05 -3.39 -0.03 0.00 -1.50 0.00 0.00 33.47 28.50 2wu9 s TRP 175 CO -0.06 -0.96 -0.04 -1.21 -4.62 0.00 0.00 176.95 170.06 2wu9 s GLU 176 N -1.07 3.53 1.50 5.86 2.02 -1.26 -5.02 118.70 124.26 2wu9 s GLU 176 Ca 0.48 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.95 2wu9 s GLU 176 Cb -0.33 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.03 2wu9 s GLU 176 CO 0.41 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.41 2wu9 n GLY 177 N 3.32 -1.74 3.92 -1.39 0.00 -1.26 -4.93 105.19 103.11 2wu9 n GLY 177 Ca -0.18 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 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 -4.00 5.48 -0.15 1.61 1.04 -1.26 -5.08 113.70 111.34 2wu9 s SER 178 Ca 0.00 0.64 -0.08 0.00 0.48 0.00 0.00 55.95 56.99 2wu9 s SER 178 Cb 0.00 -1.59 -0.04 0.00 0.10 0.00 0.00 66.02 64.49 2wu9 s SER 178 CO 0.00 -1.13 0.12 -0.69 0.98 0.00 0.00 173.24 172.52 2wu9 s VAL 179 N -3.00 5.36 -0.25 5.02 1.01 -1.26 -5.04 120.40 122.24 2wu9 s VAL 179 Ca 0.55 0.16 -0.36 0.00 0.00 0.00 0.00 61.98 62.32 2wu9 s VAL 179 Cb -0.11 -3.38 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 2wu9 s VAL 179 CO 0.45 0.54 1.95 -3.20 0.00 0.00 0.00 175.10 174.84 2wu9 n ASN 180 N 2.66 2.65 0.31 3.32 2.85 -1.26 -4.81 115.26 120.98 2wu9 n ASN 180 Ca -0.18 0.81 0.18 0.00 -0.11 0.00 0.00 54.58 55.27 2wu9 n ASN 180 Cb 0.54 -1.26 1.03 0.00 1.24 0.00 0.00 39.78 41.33 2wu9 n ASN 180 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wu9 h PRO 181 N 9.72 0.00 0.00 1.20 0.11 -2.05 -1.07 132.00 139.90 2wu9 h PRO 181 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2wu9 h PRO 181 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2wu9 h PRO 181 CO 0.98 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 2wu9 n ALA 182 N -2.23 1.23 0.33 -0.75 0.00 -1.26 -1.91 120.51 115.92 2wu9 n ALA 182 Ca -0.03 0.16 0.20 0.00 0.00 0.00 0.00 53.44 53.77 2wu9 n ALA 182 Cb 0.09 -1.33 1.06 0.00 0.00 0.00 0.00 19.45 19.26 2wu9 n ALA 182 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2wu9 h VAL 183 N 0.00 0.00 -0.03 0.00 3.04 -1.56 -2.02 116.25 115.68 2wu9 h VAL 183 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 2wu9 h VAL 183 Cb 0.11 0.86 -0.00 0.00 -2.01 0.00 0.00 31.29 30.25 2wu9 h VAL 183 CO 0.00 0.00 0.04 0.07 -1.01 0.00 0.00 177.57 176.67 2wu9 h LYS 184 N 0.00 0.00 -0.00 4.17 2.10 -1.62 -1.91 116.57 119.30 2wu9 h LYS 184 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2wu9 h LYS 184 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2wu9 h LYS 184 CO 0.00 0.00 -0.27 1.63 -2.00 0.00 0.00 179.45 178.81 2wu9 n LYS 185 N -3.61 0.02 -3.73 0.07 5.02 -0.76 -4.66 118.16 110.51 2wu9 n LYS 185 Ca -0.02 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 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 -2.99 1.79 0.34 2.13 0.08 -0.72 -5.00 117.98 113.61 2wu9 s PHE 186 Ca 0.13 -1.89 0.06 0.00 0.12 0.00 0.00 56.93 55.35 2wu9 s PHE 186 Cb 0.18 -1.76 0.73 0.00 -0.57 0.00 0.00 43.02 41.60 2wu9 s PHE 186 CO 0.62 -0.86 1.90 0.00 -0.10 0.00 0.00 175.22 176.77 2wu9 h ALA 187 N 7.80 1.72 -0.06 5.36 0.00 -1.83 -0.65 119.26 131.60 2wu9 h ALA 187 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2wu9 h ALA 187 Cb 1.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2wu9 h ALA 187 CO 0.47 0.09 -0.57 1.96 0.00 0.00 0.00 179.25 181.19 2wu9 h GLN 188 N 0.79 0.19 -0.51 0.00 4.20 -1.94 -1.12 115.11 116.72 2wu9 h GLN 188 Ca 0.41 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.91 2wu9 h GLN 188 Cb 0.50 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2wu9 h GLN 188 CO -0.17 0.71 -0.00 0.00 -0.67 0.00 0.00 178.83 178.69 2wu9 h ALA 189 N 1.26 0.69 -0.92 3.87 0.00 -1.50 -2.78 119.26 119.88 2wu9 h ALA 189 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wu9 h ALA 189 Cb 1.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2wu9 h ALA 189 CO 0.09 0.51 0.59 1.96 0.00 0.00 0.00 179.25 182.39 2wu9 h GLN 190 N 0.77 1.22 0.00 0.00 4.20 -0.76 -1.82 115.11 118.73 2wu9 h GLN 190 Ca 0.14 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2wu9 h GLN 190 Cb 0.53 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2wu9 h GLN 190 CO 0.03 0.83 0.00 -0.91 -0.67 0.00 0.00 178.83 178.11 2wu9 h ASN 191 N 1.25 0.00 0.34 1.46 2.35 -1.00 -1.02 115.58 118.96 2wu9 h ASN 191 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2wu9 h ASN 191 Cb -0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2wu9 h ASN 191 CO -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.71 2wu9 n LEU 193 N -2.58 1.27 -4.77 0.00 4.77 -0.39 -4.68 117.00 110.62 2wu9 n LEU 193 Ca -0.01 -0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.18 2wu9 n LEU 193 Cb 0.13 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2wu9 n LEU 193 CO 0.17 0.24 1.16 0.18 -1.33 0.00 0.00 177.39 177.81 2wu9 n LEU 194 N -0.48 4.78 -4.73 2.23 4.77 -0.99 -4.95 117.00 117.63 2wu9 n LEU 194 Ca 0.12 1.22 -0.41 0.00 -0.03 0.00 0.00 56.01 56.91 2wu9 n LEU 194 Cb 0.38 -1.62 0.01 0.00 -2.33 0.00 0.00 43.42 39.85 2wu9 n LEU 194 CO 0.26 0.18 0.97 -2.65 -1.33 0.00 0.00 177.39 174.83 2wu9 n PRO 195 N 0.65 2.12 -0.30 3.23 -0.02 -1.26 -4.88 135.00 134.54 2wu9 n PRO 195 Ca 0.02 0.75 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 2wu9 n PRO 195 Cb 0.39 -2.49 0.32 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.81 -0.01 -0.52 2.86 -1.98 -0.92 114.93 117.43 2wu9 h MET 196 Ca -0.49 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.04 2wu9 h MET 196 Cb 1.28 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 2wu9 h MET 196 CO 0.61 0.53 -0.28 0.78 1.06 0.00 0.00 176.91 179.62 2wu9 h GLY 197 N 0.83 0.02 1.20 8.32 0.00 -2.00 -1.28 103.07 110.16 2wu9 h GLY 197 Ca 0.45 -0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.63 2wu9 h GLY 197 CO -0.21 0.01 -0.27 -2.08 0.00 0.00 0.00 176.54 173.99 2wu9 h VAL 198 N 0.02 1.27 0.00 4.60 2.07 -1.53 -2.17 116.25 120.51 2wu9 h VAL 198 Ca 0.00 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 2wu9 h VAL 198 Cb 0.50 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2wu9 h VAL 198 CO 0.04 0.48 -0.26 0.71 0.02 0.00 0.00 177.57 178.56 2wu9 h THR 199 N 0.77 1.17 0.07 2.57 1.35 -0.91 -0.18 112.91 117.75 2wu9 h THR 199 Ca 0.09 -0.89 -0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2wu9 h THR 199 Cb 0.83 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2wu9 h THR 199 CO 0.07 0.25 -0.03 -1.28 -0.25 0.00 0.00 175.52 174.28 2wu9 h SER 200 N 0.00 -0.08 -0.97 5.36 0.87 -1.01 -1.46 113.55 116.26 2wu9 h SER 200 Ca -0.00 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 2wu9 h SER 200 Cb 0.46 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.39 2wu9 h SER 200 CO 0.03 0.01 0.64 -0.33 -0.53 0.00 0.00 176.83 176.65 2wu9 h GLU 201 N -0.16 1.24 -0.80 2.24 4.39 -0.84 -1.06 114.58 119.60 2wu9 h GLU 201 Ca -0.01 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.65 2wu9 h GLU 201 Cb 0.13 -0.28 -0.05 0.00 -0.10 0.00 0.00 28.75 28.45 2wu9 h GLU 201 CO 0.02 0.82 0.51 -0.91 -1.16 0.00 0.00 179.01 178.29 2wu9 h ASN 202 N 1.28 0.84 -0.21 1.42 2.35 -0.75 -0.46 115.58 120.05 2wu9 h ASN 202 Ca 0.37 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.07 2wu9 h ASN 202 Cb -0.09 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 2wu9 h ASN 202 CO -0.09 0.58 -0.04 0.58 -1.65 0.00 0.00 177.43 176.81 2wu9 h VAL 203 N 0.99 1.28 -0.57 2.81 2.07 -0.66 0.16 116.25 122.33 2wu9 h VAL 203 Ca 0.32 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2wu9 h VAL 203 Cb 0.00 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2wu9 h VAL 203 CO -0.11 0.31 0.34 0.00 0.02 0.00 0.00 177.57 178.13 2wu9 h ALA 204 N 0.75 0.73 -0.08 1.67 0.00 -0.97 -1.06 119.26 120.30 2wu9 h ALA 204 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wu9 h ALA 204 Cb 0.48 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wu9 h ALA 204 CO 0.02 0.21 -0.08 0.37 0.00 0.00 0.00 179.25 179.76 2wu9 h GLN 205 N 0.77 0.20 -0.66 0.00 4.15 -1.04 0.00 115.11 118.52 2wu9 h GLN 205 Ca 0.20 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 2wu9 h GLN 205 Cb -0.02 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 2wu9 h GLN 205 CO -0.04 0.63 0.35 -0.09 -1.93 0.00 0.00 178.83 177.76 2wu9 h ARG 206 N -0.22 0.93 -0.28 1.69 9.65 -0.86 -3.19 114.38 122.10 2wu9 h ARG 206 Ca 0.01 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2wu9 h ARG 206 Cb 0.60 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 2wu9 h ARG 206 CO 0.02 0.71 0.00 1.19 2.80 0.00 0.00 179.97 184.70 2wu9 n PHE 207 N -4.51 0.36 -2.96 2.20 3.72 -0.41 -5.00 117.46 110.86 2wu9 n PHE 207 Ca 0.05 -0.24 -0.11 0.00 -0.05 0.00 0.00 57.45 57.10 2wu9 n PHE 207 Cb 0.10 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.08 -0.08 3.54 1.37 0.00 -0.17 -4.99 105.19 105.93 2wu9 n GLY 208 Ca 0.15 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.24 5.09 0.76 1.61 1.01 -0.31 -5.04 120.40 120.27 2wu9 s VAL 209 Ca 0.02 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 2wu9 s VAL 209 Cb -0.01 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.49 2wu9 s VAL 209 CO 0.48 -0.21 1.08 -0.94 0.00 0.00 0.00 175.10 175.51 2wu9 s SER 210 N 1.77 4.79 0.22 3.32 1.04 -1.26 -4.77 113.70 118.80 2wu9 s SER 210 Ca 0.15 1.53 -0.08 0.00 0.48 0.00 0.00 55.95 58.02 2wu9 s SER 210 Cb -0.16 -2.31 0.26 0.00 0.10 0.00 0.00 66.02 63.91 2wu9 s SER 210 CO 0.13 -1.81 1.81 -0.09 0.98 0.00 0.00 173.24 174.26 2wu9 h ARG 211 N -0.97 0.69 -0.61 4.02 9.65 -1.97 -2.11 114.38 123.08 2wu9 h ARG 211 Ca -0.45 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.32 2wu9 h ARG 211 Cb 1.24 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.64 2wu9 h ARG 211 CO 0.57 0.46 0.12 0.37 2.80 0.00 0.00 179.97 184.29 2wu9 h GLN 212 N 0.71 1.00 -0.77 0.20 4.15 -1.98 -0.15 115.11 118.28 2wu9 h GLN 212 Ca 0.31 -0.26 0.02 0.00 0.77 0.00 0.00 58.65 59.50 2wu9 h GLN 212 Cb 0.21 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 2wu9 h GLN 212 CO -0.19 0.93 0.50 0.93 -1.93 0.00 0.00 178.83 179.07 2wu9 h GLU 213 N 0.91 0.96 -0.03 1.69 5.08 -1.88 0.21 114.58 121.53 2wu9 h GLU 213 Ca 0.19 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wu9 h GLU 213 Cb 0.40 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wu9 h GLU 213 CO 0.01 0.64 0.01 1.96 -1.00 0.00 0.00 179.01 180.62 2wu9 h GLN 214 N 0.99 0.05 -0.48 2.33 4.20 -1.04 -2.12 115.11 119.05 2wu9 h GLN 214 Ca 0.30 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.93 2wu9 h GLN 214 Cb -0.04 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2wu9 h GLN 214 CO -0.09 0.24 0.03 -0.44 -0.67 0.00 0.00 178.83 177.90 2wu9 h ASP 215 N -0.14 0.74 -0.74 1.46 3.32 -0.84 -2.45 116.42 117.76 2wu9 h ASP 215 Ca 0.01 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 2wu9 h ASP 215 Cb 0.21 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2wu9 h ASP 215 CO -0.00 0.79 0.35 -0.61 -1.72 0.00 0.00 179.24 178.05 2wu9 h GLN 216 N 0.73 1.08 -0.65 3.56 5.75 -0.42 -0.18 115.11 124.98 2wu9 h GLN 216 Ca 0.15 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 2wu9 h GLN 216 Cb 0.40 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 2wu9 h GLN 216 CO 0.01 0.84 0.24 0.00 -2.65 0.00 0.00 178.83 177.28 2wu9 h ALA 217 N 1.31 1.20 -0.38 3.38 0.00 -0.93 -0.22 119.26 123.61 2wu9 h ALA 217 Ca 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2wu9 h ALA 217 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2wu9 h ALA 217 CO -0.03 0.58 0.03 0.00 0.00 0.00 0.00 179.25 179.82 2wu9 h ALA 218 N 1.32 0.51 -0.59 0.00 0.00 -0.97 -0.72 119.26 118.81 2wu9 h ALA 218 Ca 0.22 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2wu9 h ALA 218 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2wu9 h ALA 218 CO -0.02 0.26 0.33 0.28 0.00 0.00 0.00 179.25 180.10 2wu9 h VAL 219 N 0.49 1.01 -0.61 0.00 2.07 -0.60 -2.12 116.25 116.49 2wu9 h VAL 219 Ca 0.11 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2wu9 h VAL 219 Cb 0.42 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2wu9 h VAL 219 CO 0.01 0.12 0.31 0.44 0.02 0.00 0.00 177.57 178.47 2wu9 h ASP 220 N 0.64 0.78 -0.29 0.57 3.32 -0.83 -1.25 116.42 119.36 2wu9 h ASP 220 Ca 0.25 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.20 2wu9 h ASP 220 Cb 0.10 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2wu9 h ASP 220 CO -0.14 0.68 0.15 -1.28 -1.72 0.00 0.00 179.24 176.92 2wu9 h SER 221 N 0.83 0.22 -0.62 6.45 0.87 -0.68 -0.14 113.55 120.47 2wu9 h SER 221 Ca 0.21 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2wu9 h SER 221 Cb 0.09 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 2wu9 h SER 221 CO -0.03 0.16 0.04 0.45 -0.53 0.00 0.00 176.83 176.93 2wu9 h HIS 222 N 0.31 1.15 -0.41 2.24 3.86 -1.21 -0.44 115.15 120.65 2wu9 h HIS 222 Ca 0.12 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2wu9 h HIS 222 Cb 0.04 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 2wu9 h HIS 222 CO -0.10 1.00 0.20 -0.09 0.86 0.00 0.00 177.93 179.80 2wu9 h ARG 223 N 0.97 0.59 -0.25 2.45 2.43 -0.96 -0.24 114.38 119.37 2wu9 h ARG 223 Ca 0.18 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 2wu9 h ARG 223 Cb 0.51 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2wu9 h ARG 223 CO 0.02 0.51 -0.47 0.87 -1.51 0.00 0.00 179.97 179.39 2wu9 h LYS 224 N 0.52 0.65 -0.37 0.20 1.57 -0.96 -1.81 116.57 116.38 2wu9 h LYS 224 Ca 0.14 -0.37 -0.11 0.00 -1.87 0.00 0.00 60.65 58.44 2wu9 h LYS 224 Cb 0.11 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2wu9 h LYS 224 CO -0.02 0.98 -0.22 0.00 -0.57 0.00 0.00 179.45 179.62 2wu9 h ALA 225 N 0.96 0.52 -0.50 3.86 0.00 -0.93 -0.59 119.26 122.59 2wu9 h ALA 225 Ca 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2wu9 h ALA 225 Cb 1.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2wu9 h ALA 225 CO 0.09 0.48 0.22 0.00 0.00 0.00 0.00 179.25 180.05 2wu9 h ALA 226 N 0.78 0.64 -0.55 0.00 0.00 -1.03 -1.48 119.26 117.62 2wu9 h ALA 226 Ca 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2wu9 h ALA 226 Cb 0.77 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2wu9 h ALA 226 CO 0.06 0.23 0.13 0.00 0.00 0.00 0.00 179.25 179.68 2wu9 h ALA 227 N 1.06 0.73 -0.48 0.00 0.00 -1.24 -1.82 119.26 117.51 2wu9 h ALA 227 Ca 0.17 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2wu9 h ALA 227 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2wu9 h ALA 227 CO -0.02 0.43 0.04 0.00 0.00 0.00 0.00 179.25 179.71 2wu9 h ALA 228 N 1.02 0.64 -0.15 0.00 0.00 -0.97 -0.77 119.26 119.03 2wu9 h ALA 228 Ca 0.17 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wu9 h ALA 228 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2wu9 h ALA 228 CO 0.00 0.40 0.07 1.15 0.00 0.00 0.00 179.25 180.87 2wu9 h THR 229 N 0.68 0.99 -0.07 0.00 2.02 -1.16 -0.55 112.91 114.82 2wu9 h THR 229 Ca 0.14 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 2wu9 h THR 229 Cb 0.45 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2wu9 h THR 229 CO 0.02 0.03 -0.28 0.00 0.37 0.00 0.00 175.52 175.65 2wu9 h ALA 230 N 1.08 1.40 -0.00 6.16 0.00 -1.14 -2.01 119.26 124.76 2wu9 h ALA 230 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wu9 h ALA 230 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2wu9 h ALA 230 CO -0.05 0.43 -0.00 0.00 0.00 0.00 0.00 179.25 179.63 2wu9 n ALA 231 N -2.48 2.67 -1.00 0.00 0.00 -0.31 -4.90 120.51 114.49 2wu9 n ALA 231 Ca -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 53.44 53.21 2wu9 n ALA 231 Cb 0.36 -1.50 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.03 0.47 0.14 0.00 0.00 -0.75 -4.94 105.19 101.14 2wu9 n GLY 232 Ca 0.23 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.70 0.00 -0.02 1.61 1.57 -1.31 -2.52 116.57 116.60 2wu9 h LYS 233 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wu9 h LYS 233 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2wu9 h LYS 233 CO 0.00 0.00 -0.27 1.19 -0.57 0.00 0.00 179.45 179.80 2wu9 n PHE 234 N -2.35 0.00 -0.17 -1.35 3.72 -1.26 -4.57 117.46 111.48 2wu9 n PHE 234 Ca 0.03 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.36 2wu9 n PHE 234 Cb 0.30 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.85 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 3.17 0.68 -0.31 -1.08 1.79 -1.80 -0.69 116.57 118.33 2wu9 h LYS 235 Ca 0.00 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 2wu9 h LYS 235 Cb 0.82 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2wu9 h LYS 235 CO 0.00 0.48 -0.01 -0.44 -1.08 0.00 0.00 179.45 178.40 2wu9 h ASP 236 N 0.69 0.54 0.25 0.86 3.32 -1.80 -3.22 116.42 117.06 2wu9 h ASP 236 Ca 0.19 -0.31 -0.18 0.00 0.02 0.00 0.00 57.03 56.74 2wu9 h ASP 236 Cb -0.04 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2wu9 h ASP 236 CO -0.04 0.73 -0.72 1.05 -1.72 0.00 0.00 179.24 178.54 2wu9 h GLU 237 N 0.35 0.40 -6.49 3.56 4.11 -1.80 -3.45 114.58 111.25 2wu9 h GLU 237 Ca 0.09 -0.32 -0.53 0.00 0.07 0.00 0.00 59.36 58.66 2wu9 h GLU 237 Cb 0.45 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2wu9 h GLU 237 CO 0.02 0.96 0.47 0.42 0.07 0.00 0.00 179.01 180.94 2wu9 s ILE 238 N -3.64 4.33 -0.35 -1.06 1.01 -0.28 -1.13 121.20 120.08 2wu9 s ILE 238 Ca -0.06 1.74 -0.12 0.00 0.00 0.00 0.00 60.65 62.21 2wu9 s ILE 238 Cb 0.11 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2wu9 s ILE 238 CO 0.84 0.17 0.22 -0.63 0.00 0.00 0.00 174.94 175.54 2wu9 s ILE 239 N 0.75 4.90 0.47 2.92 -1.09 0.56 -4.91 121.20 124.80 2wu9 s ILE 239 Ca 0.54 -0.51 -0.24 0.00 -2.23 0.00 0.00 60.65 58.21 2wu9 s ILE 239 Cb -0.26 -3.60 -0.07 0.00 -1.58 0.00 0.00 42.46 36.95 2wu9 s ILE 239 CO 0.30 -0.09 1.35 -2.84 -1.23 0.00 0.00 174.94 172.42 2wu9 s PRO 240 N 1.64 3.59 -0.17 2.79 0.02 -1.26 -4.30 135.00 137.31 2wu9 s PRO 240 Ca 0.04 2.23 -0.01 0.00 0.02 0.00 0.00 61.00 63.28 2wu9 s PRO 240 Cb -0.18 -2.53 -0.01 0.00 0.02 0.00 0.00 34.50 31.81 2wu9 s PRO 240 CO 0.08 -0.83 -0.11 0.08 -0.33 0.00 0.00 177.00 175.89 2wu9 s VAL 241 N -1.28 2.98 -0.27 3.83 1.01 -0.36 -4.92 120.40 121.39 2wu9 s VAL 241 Ca 0.64 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 2wu9 s VAL 241 Cb -0.40 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2wu9 s VAL 241 CO 0.49 0.49 0.76 -0.75 0.00 0.00 0.00 175.10 176.09 2wu9 s LYS 242 N 0.98 4.09 0.00 2.72 2.47 -1.26 -0.72 119.74 128.02 2wu9 s LYS 242 Ca -0.01 0.73 0.00 0.00 -1.56 0.00 0.00 55.97 55.12 2wu9 s LYS 242 Cb -0.15 -3.67 0.00 0.00 -1.46 0.00 0.00 37.83 32.55 2wu9 s LYS 242 CO -0.01 -0.54 0.00 -2.37 0.16 0.00 0.00 175.35 172.59 2wu9 n THR 243 N 5.33 0.00 -3.92 3.43 5.66 0.01 -5.01 114.28 119.77 2wu9 n THR 243 Ca 0.03 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.94 2wu9 n THR 243 Cb 0.48 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.19 2wu9 n THR 243 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2wu9 s LYS 244 N 1.38 0.93 -0.05 1.09 -2.85 -1.26 -1.07 119.74 117.91 2wu9 s LYS 244 Ca 0.00 -1.07 0.05 0.00 -1.00 0.00 0.00 55.97 53.95 2wu9 s LYS 244 Cb 0.00 0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 36.09 2wu9 s LYS 244 CO 0.00 -0.30 -0.20 -0.51 0.10 0.00 0.00 175.35 174.44 2wu9 s LEU 245 N -2.91 2.37 -0.18 2.77 1.43 -0.10 -4.49 118.68 117.57 2wu9 s LEU 245 Ca 0.10 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2wu9 s LEU 245 Cb 0.05 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 2wu9 s LEU 245 CO -0.07 0.29 -0.09 -0.69 0.23 0.00 0.00 176.35 176.02 2wu9 s VAL 246 N -0.42 3.10 -0.16 -1.59 1.01 -1.26 -1.68 120.40 119.40 2wu9 s VAL 246 Ca 0.04 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 2wu9 s VAL 246 Cb -0.12 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2wu9 s VAL 246 CO 0.02 0.47 1.19 -0.62 0.00 0.00 0.00 175.10 176.16 2wu9 s ASP 247 N 1.05 7.02 0.22 3.32 -1.08 0.60 -4.90 116.67 122.90 2wu9 s ASP 247 Ca -0.00 1.63 0.05 0.00 -0.52 0.00 0.00 52.55 53.71 2wu9 s ASP 247 Cb -0.15 -2.54 0.20 0.00 -1.46 0.00 0.00 42.92 38.97 2wu9 s ASP 247 CO -0.02 -0.69 1.52 1.55 0.52 0.00 0.00 175.17 178.06 2wu9 h PRO 248 N 7.83 0.19 -0.24 4.34 0.13 -1.94 0.49 132.00 142.79 2wu9 h PRO 248 Ca -0.26 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 2wu9 h PRO 248 Cb 1.11 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2wu9 h PRO 248 CO 0.95 0.79 0.06 0.87 -0.23 0.00 0.00 178.00 180.44 2wu9 h LYS 249 N 0.13 0.39 0.00 0.86 1.57 -1.98 -3.37 116.57 114.17 2wu9 h LYS 249 Ca -0.01 -0.09 -0.27 0.00 -1.87 0.00 0.00 60.65 58.41 2wu9 h LYS 249 Cb 1.20 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 2wu9 h LYS 249 CO 0.10 0.50 -2.00 0.25 -0.57 0.00 0.00 179.45 177.73 2wu9 n THR 250 N -4.72 1.00 -0.05 -0.16 -2.24 -1.23 -5.00 114.28 101.88 2wu9 n THR 250 Ca -0.03 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2wu9 n THR 250 Cb 0.18 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 2.28 0.51 3.77 3.38 0.00 0.17 -5.03 105.19 110.27 2wu9 n GLY 251 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.53 6.22 0.06 1.61 1.01 -1.25 -4.62 116.67 117.17 2wu9 s ASP 252 Ca 0.00 2.76 0.06 0.00 0.71 0.00 0.00 52.55 56.09 2wu9 s ASP 252 Cb 0.00 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2wu9 s ASP 252 CO 0.00 -0.93 -0.13 -1.61 0.21 0.00 0.00 175.17 172.71 2wu9 s GLU 253 N -2.26 2.16 -0.03 8.23 2.02 -1.26 -0.29 118.70 127.27 2wu9 s GLU 253 Ca 0.57 -0.96 -0.05 0.00 0.02 0.00 0.00 54.97 54.55 2wu9 s GLU 253 Cb -0.40 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.55 2wu9 s GLU 253 CO 0.52 0.54 0.12 -1.59 0.02 0.00 0.00 175.26 174.87 2wu9 s LYS 254 N -1.75 0.28 0.59 1.61 -2.85 -0.68 -4.99 119.74 111.96 2wu9 s LYS 254 Ca 0.18 -0.08 -0.16 0.00 -1.00 0.00 0.00 55.97 54.91 2wu9 s LYS 254 Cb -0.11 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.74 2wu9 s LYS 254 CO 0.09 -0.05 1.05 -2.14 0.10 0.00 0.00 175.35 174.39 2wu9 s PRO 255 N -0.56 3.37 -0.08 1.78 0.02 -1.26 -0.93 135.00 137.34 2wu9 s PRO 255 Ca -0.06 1.18 -0.11 0.00 0.02 0.00 0.00 61.00 62.02 2wu9 s PRO 255 Cb -0.04 -2.04 0.03 0.00 0.02 0.00 0.00 34.50 32.46 2wu9 s PRO 255 CO 0.01 -0.76 0.29 -1.50 -0.33 0.00 0.00 177.00 174.70 2wu9 s ILE 256 N -2.48 0.02 -0.24 2.83 2.07 -0.23 -4.82 121.20 118.36 2wu9 s ILE 256 Ca 0.63 -0.15 -0.08 0.00 -1.41 0.00 0.00 60.65 59.65 2wu9 s ILE 256 Cb -0.15 -0.46 -0.03 0.00 0.13 0.00 0.00 42.46 41.94 2wu9 s ILE 256 CO 0.37 -0.08 0.08 -0.89 -1.91 0.00 0.00 174.94 172.51 2wu9 s THR 257 N -0.25 4.50 -0.24 4.00 2.01 -1.26 -0.81 115.64 123.59 2wu9 s THR 257 Ca -0.04 -0.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.76 2wu9 s THR 257 Cb -0.03 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2wu9 s THR 257 CO 0.01 0.36 0.12 -0.69 -0.69 0.00 0.00 174.62 173.73 2wu9 s VAL 258 N 1.36 4.90 0.00 3.82 1.01 0.10 -4.92 120.40 126.68 2wu9 s VAL 258 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2wu9 s VAL 258 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2wu9 s VAL 258 CO 0.04 0.35 0.00 -1.20 0.00 0.00 0.00 175.10 174.29 2wu9 n SER 259 N 4.51 0.67 -4.28 3.32 7.64 -1.26 -1.22 113.62 122.99 2wu9 n SER 259 Ca -0.15 -0.18 -0.21 0.00 1.01 0.00 0.00 58.87 59.33 2wu9 n SER 259 Cb 0.52 0.49 -0.12 0.00 -1.01 0.00 0.00 64.21 64.09 2wu9 n SER 259 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2wu9 s VAL 260 N -0.62 1.62 -0.27 0.44 -7.23 -1.26 -4.81 120.40 108.27 2wu9 s VAL 260 Ca 0.00 -1.69 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 2wu9 s VAL 260 Cb 0.00 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 2wu9 s VAL 260 CO 0.00 -0.23 1.35 -1.81 -0.31 0.00 0.00 175.10 174.10 2wu9 s ASP 261 N -2.26 6.65 0.00 4.85 1.01 -1.26 -4.67 116.67 120.98 2wu9 s ASP 261 Ca 0.09 1.33 0.23 0.00 0.71 0.00 0.00 52.55 54.91 2wu9 s ASP 261 Cb -0.08 -2.54 1.02 0.00 1.01 0.00 0.00 42.92 42.34 2wu9 s ASP 261 CO 0.05 -1.08 1.70 -0.90 0.21 0.00 0.00 175.17 175.15 2wu9 n ASP 262 N 7.66 1.00 -0.01 0.27 5.68 -1.11 -3.56 116.55 126.48 2wu9 n ASP 262 Ca 0.15 -1.52 0.12 0.00 -0.50 0.00 0.00 54.79 53.05 2wu9 n ASP 262 Cb 0.46 -0.05 0.26 0.00 -1.14 0.00 0.00 41.12 40.66 2wu9 n ASP 262 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wu9 n GLY 263 N 1.03 -1.24 3.73 6.12 0.00 -1.26 -4.82 105.19 108.75 2wu9 n GLY 263 Ca 0.17 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.98 2.98 -0.35 -0.61 1.01 -0.86 -4.76 121.20 115.62 2wu9 s ILE 264 Ca 0.12 0.77 0.01 0.00 0.00 0.00 0.00 60.65 61.55 2wu9 s ILE 264 Cb 0.18 -3.50 0.11 0.00 0.01 0.00 0.00 42.46 39.26 2wu9 s ILE 264 CO 0.69 0.10 0.12 -0.13 0.00 0.00 0.00 174.94 175.72 2wu9 s ARG 265 N 0.17 1.12 0.49 2.79 1.81 -1.26 -4.99 118.95 119.08 2wu9 s ARG 265 Ca 0.61 -1.57 0.33 0.00 -1.72 0.00 0.00 55.73 53.38 2wu9 s ARG 265 Cb -0.39 -2.50 1.60 0.00 -0.45 0.00 0.00 34.95 33.20 2wu9 s ARG 265 CO 0.38 -1.01 2.00 -1.00 -0.68 0.00 0.00 175.30 174.99 2wu9 h PRO 266 N 7.62 0.00 -0.15 3.54 0.13 -1.94 -1.84 132.00 139.37 2wu9 h PRO 266 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2wu9 h PRO 266 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2wu9 h PRO 266 CO 0.50 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.52 2wu9 n THR 267 N -2.78 0.19 -2.01 1.56 -2.24 -1.26 -4.90 114.28 102.83 2wu9 n THR 267 Ca -0.01 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 2wu9 n THR 267 Cb 0.17 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.81 3.29 0.25 4.28 2.01 -0.69 -4.90 115.64 118.07 2wu9 s THR 268 Ca 0.30 0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.98 2wu9 s THR 268 Cb 0.16 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 2wu9 s THR 268 CO 0.24 -0.01 0.11 0.42 -0.69 0.00 0.00 174.62 174.69 2wu9 s THR 269 N 2.79 0.39 0.28 -0.82 -4.23 -1.26 -4.84 115.64 107.95 2wu9 s THR 269 Ca 0.71 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 2wu9 s THR 269 Cb -0.37 -2.59 0.27 0.00 1.34 0.00 0.00 72.50 71.15 2wu9 s THR 269 CO 0.30 0.00 1.93 -0.07 -0.54 0.00 0.00 174.62 176.25 2wu9 h LEU 270 N 2.42 1.01 -0.28 4.79 3.38 -1.94 -1.51 115.31 123.18 2wu9 h LEU 270 Ca -0.37 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2wu9 h LEU 270 Cb 1.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2wu9 h LEU 270 CO 0.58 0.70 0.10 0.00 0.09 0.00 0.00 178.44 179.91 2wu9 h ALA 271 N 1.45 0.37 -0.43 1.53 0.00 -1.98 0.39 119.26 120.59 2wu9 h ALA 271 Ca 0.36 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2wu9 h ALA 271 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wu9 h ALA 271 CO -0.10 -0.02 -0.01 0.66 0.00 0.00 0.00 179.25 179.78 2wu9 h SER 272 N 0.30 0.75 0.16 0.00 4.64 -1.86 -2.69 113.55 114.85 2wu9 h SER 272 Ca 0.09 -0.31 -0.06 0.00 -0.47 0.00 0.00 61.79 61.04 2wu9 h SER 272 Cb 0.21 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2wu9 h SER 272 CO -0.01 0.88 -0.23 -0.07 -0.87 0.00 0.00 176.83 176.54 2wu9 h LEU 273 N 0.60 0.12 -1.86 5.97 3.38 -1.21 -2.78 115.31 119.52 2wu9 h LEU 273 Ca 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2wu9 h LEU 273 Cb 0.50 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wu9 h LEU 273 CO 0.02 0.36 -0.05 1.23 0.09 0.00 0.00 178.44 180.10 2wu9 h GLY 274 N 0.84 0.00 1.92 0.83 0.00 -0.57 -2.52 103.07 103.57 2wu9 h GLY 274 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2wu9 h GLY 274 CO 0.03 0.00 -0.07 0.50 0.00 0.00 0.00 176.54 177.01 2wu9 h LYS 275 N 0.00 0.00 -7.02 4.80 1.57 -1.41 -3.46 116.57 111.05 2wu9 h LYS 275 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 2wu9 h LYS 275 Cb 0.39 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.73 2wu9 h LYS 275 CO 0.01 0.00 0.42 -0.51 -0.57 0.00 0.00 179.45 178.80 2wu9 s LEU 276 N -4.97 3.99 0.12 2.94 1.43 -0.95 -5.04 118.68 116.20 2wu9 s LEU 276 Ca 0.09 2.08 -0.04 0.00 -1.03 0.00 0.00 54.13 55.23 2wu9 s LEU 276 Cb 0.10 -4.35 -0.05 0.00 0.03 0.00 0.00 46.19 41.93 2wu9 s LEU 276 CO 0.63 -0.75 0.34 -0.54 0.23 0.00 0.00 176.35 176.26 2wu9 s LYS 277 N -2.83 3.59 0.33 1.70 1.02 -1.26 -5.02 119.74 117.27 2wu9 s LYS 277 Ca 0.63 -0.15 -0.28 0.00 0.02 0.00 0.00 55.97 56.19 2wu9 s LYS 277 Cb -0.22 -2.90 -0.12 0.00 -0.52 0.00 0.00 37.83 34.07 2wu9 s LYS 277 CO 0.27 0.50 1.30 -2.30 -0.92 0.00 0.00 175.35 174.20 2wu9 n PRO 278 N 0.19 2.12 -0.04 -1.68 -0.02 -1.26 -4.54 135.00 129.77 2wu9 n PRO 278 Ca -0.03 0.74 -0.11 0.00 -2.02 0.00 0.00 63.50 62.08 2wu9 n PRO 278 Cb 0.52 -2.33 -0.14 0.00 -0.02 0.00 0.00 33.50 31.52 2wu9 n PRO 278 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wu9 n VAL 279 N 0.51 1.58 0.10 -1.45 0.31 -0.57 -4.64 118.33 114.15 2wu9 n VAL 279 Ca 0.05 -0.78 0.03 0.00 -0.01 0.00 0.00 64.34 63.63 2wu9 n VAL 279 Cb 0.36 -1.01 -0.04 0.00 -0.91 0.00 0.00 33.84 32.24 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 -3.04 0.00 -3.69 3.52 3.72 -1.26 -5.01 117.46 111.70 2wu9 n PHE 280 Ca -0.24 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.05 2wu9 n PHE 280 Cb 1.07 -0.08 -0.12 0.00 -0.94 0.00 0.00 39.48 39.41 2wu9 n PHE 280 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2wu9 s LYS 281 N -2.08 0.29 0.22 -1.08 2.20 -1.26 -4.95 119.74 113.08 2wu9 s LYS 281 Ca -0.01 0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 56.21 2wu9 s LYS 281 Cb 0.04 0.01 0.26 0.00 -1.51 0.00 0.00 37.83 36.62 2wu9 s LYS 281 CO 0.24 -0.20 1.59 -0.22 -0.36 0.00 0.00 175.35 176.41 2wu9 h LYS 282 N 7.51 -0.04 -0.77 4.03 3.64 -1.95 0.42 116.57 129.42 2wu9 h LYS 282 Ca -0.31 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.78 2wu9 h LYS 282 Cb 1.15 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.81 2wu9 h LYS 282 CO 0.26 -0.03 0.34 -0.40 -2.27 0.00 0.00 179.45 177.36 2wu9 n ASP 283 N -5.48 4.30 -3.88 4.20 5.68 -1.26 -4.83 116.55 115.27 2wu9 n ASP 283 Ca 0.09 -3.38 -0.29 0.00 -0.50 0.00 0.00 54.79 50.71 2wu9 n ASP 283 Cb 0.38 -0.76 0.20 0.00 -1.14 0.00 0.00 41.12 39.81 2wu9 n ASP 283 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wu9 n GLY 284 N -0.54 -1.48 0.00 6.12 0.00 0.15 -5.03 105.19 104.40 2wu9 n GLY 284 Ca 0.45 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2wu9 n GLY 284 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wu9 n THR 285 N -3.81 0.00 -2.87 2.61 -2.24 -1.26 -4.72 114.28 102.00 2wu9 n THR 285 Ca 0.16 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 2wu9 n THR 285 Cb 0.57 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.72 4.85 0.38 4.28 2.01 -1.26 -4.91 115.64 120.27 2wu9 s THR 286 Ca 0.00 1.65 0.04 0.00 0.31 0.00 0.00 61.69 63.69 2wu9 s THR 286 Cb 0.00 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2wu9 s THR 286 CO 0.00 -0.02 0.07 0.42 -0.69 0.00 0.00 174.62 174.39 2wu9 s THR 287 N 2.45 1.10 0.45 -0.82 -4.23 -1.26 -1.52 115.64 111.81 2wu9 s THR 287 Ca 0.38 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.01 2wu9 s THR 287 Cb -0.16 -2.62 0.29 0.00 1.34 0.00 0.00 72.50 71.35 2wu9 s THR 287 CO 0.10 0.00 2.07 0.00 -0.54 0.00 0.00 174.62 176.25 2wu9 h ALA 288 N 1.90 1.89 0.00 3.99 0.00 -1.93 -2.79 119.26 122.31 2wu9 h ALA 288 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wu9 h ALA 288 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wu9 h ALA 288 CO 0.68 0.06 0.00 0.78 0.00 0.00 0.00 179.25 180.77 2wu9 h GLY 289 N 0.35 0.00 -1.02 0.00 0.00 -1.94 -3.15 103.07 97.31 2wu9 h GLY 289 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2wu9 h GLY 289 CO -0.03 0.00 -0.13 1.16 0.00 0.00 0.00 176.54 177.54 2wu9 n ASN 290 N -2.93 2.57 -4.47 0.19 0.23 -1.07 -4.80 115.26 104.98 2wu9 n ASN 290 Ca 0.03 -3.41 -0.25 0.00 -0.53 0.00 0.00 54.58 50.43 2wu9 n ASN 290 Cb 0.45 -0.52 -0.10 0.00 -2.08 0.00 0.00 39.78 37.53 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 -2.68 3.64 0.65 0.53 0.01 -1.09 -0.84 113.70 113.92 2wu9 s SER 291 Ca 0.38 -0.93 -0.17 0.00 1.31 0.00 0.00 55.95 56.54 2wu9 s SER 291 Cb 0.34 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.20 2wu9 s SER 291 CO 0.01 0.06 0.97 -1.54 0.41 0.00 0.00 173.24 173.16 2wu9 n SER 292 N -0.35 0.67 -4.80 2.44 3.41 0.18 -4.59 113.62 110.57 2wu9 n SER 292 Ca -0.08 0.75 -0.35 0.00 -0.26 0.00 0.00 58.87 58.93 2wu9 n SER 292 Cb 0.59 -1.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.07 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 -3.01 4.38 -0.18 4.33 -0.21 -1.00 -4.93 119.66 119.04 2wu9 s GLN 293 Ca 0.76 1.20 -0.29 0.00 0.02 0.00 0.00 55.36 57.05 2wu9 s GLN 293 Cb -0.38 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.17 2wu9 s GLN 293 CO 0.48 0.11 1.01 0.08 -2.12 0.00 0.00 175.29 174.85 2wu9 s VAL 294 N -1.93 4.73 0.15 1.09 1.01 -1.26 -1.40 120.40 122.80 2wu9 s VAL 294 Ca 0.57 2.01 -0.06 0.00 0.00 0.00 0.00 61.98 64.49 2wu9 s VAL 294 Cb -0.13 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2wu9 s VAL 294 CO 0.18 -0.10 0.21 -0.44 0.00 0.00 0.00 175.10 174.95 2wu9 s SER 295 N 1.16 0.13 -0.02 3.32 0.01 -1.26 -1.06 113.70 115.98 2wu9 s SER 295 Ca 0.45 -0.96 0.07 0.00 1.31 0.00 0.00 55.95 56.82 2wu9 s SER 295 Cb -0.16 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 2wu9 s SER 295 CO 0.11 -0.83 -0.23 -1.81 0.41 0.00 0.00 173.24 170.88 2wu9 s ASP 296 N -2.99 3.29 0.00 2.44 1.01 0.30 -2.97 116.67 117.75 2wu9 s ASP 296 Ca 0.18 -0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.03 2wu9 s ASP 296 Cb 0.05 -0.46 0.00 0.00 1.01 0.00 0.00 42.92 43.52 2wu9 s ASP 296 CO -0.00 0.32 0.00 0.61 0.21 0.00 0.00 175.17 176.31 2wu9 n GLY 297 N 2.37 -0.70 3.26 0.21 0.00 -0.32 -1.50 105.19 108.50 2wu9 n GLY 297 Ca -0.16 -1.18 -0.10 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 -2.00 -0.59 0.05 4.61 0.00 -1.26 -1.75 121.76 120.82 2wu9 s ALA 298 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 2wu9 s ALA 298 Cb 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 2wu9 s ALA 298 CO 0.00 -0.57 0.12 0.20 0.00 0.00 0.00 175.76 175.51 2wu9 s GLY 299 N -2.80 0.16 -0.11 0.00 0.00 -0.33 -0.99 107.32 103.25 2wu9 s GLY 299 Ca 0.04 -0.60 -0.18 0.00 0.00 0.00 0.00 44.72 43.98 2wu9 s GLY 299 CO -0.11 -0.75 0.45 0.00 0.00 0.00 0.00 173.10 172.69 2wu9 s ALA 300 N -3.08 -1.14 -0.05 3.20 0.00 0.17 -0.69 121.76 120.18 2wu9 s ALA 300 Ca -0.01 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.00 2wu9 s ALA 300 Cb 0.02 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.74 2wu9 s ALA 300 CO -0.07 -0.25 -0.07 0.08 0.00 0.00 0.00 175.76 175.45 2wu9 s VAL 301 N -0.41 0.71 -0.28 0.00 1.01 0.46 -1.07 120.40 120.81 2wu9 s VAL 301 Ca -0.05 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 2wu9 s VAL 301 Cb -0.03 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2wu9 s VAL 301 CO 0.03 0.26 0.18 -0.22 0.00 0.00 0.00 175.10 175.35 2wu9 s LEU 302 N 0.72 3.99 0.09 3.92 2.96 0.09 -1.29 118.68 129.16 2wu9 s LEU 302 Ca -0.11 -0.07 0.10 0.00 -0.22 0.00 0.00 54.13 53.82 2wu9 s LEU 302 Cb -0.14 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2wu9 s LEU 302 CO 0.01 -0.06 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.98 2wu9 s LEU 303 N 1.74 2.39 0.20 -0.68 1.02 -0.14 -1.37 118.68 121.84 2wu9 s LEU 303 Ca 0.07 -0.63 -0.20 0.00 0.02 0.00 0.00 54.13 53.38 2wu9 s LEU 303 Cb -0.16 -1.34 0.04 0.00 0.02 0.00 0.00 46.19 44.75 2wu9 s LEU 303 CO 0.10 0.21 0.60 0.00 0.02 0.00 0.00 176.35 177.28 2wu9 s MET 304 N -1.79 1.44 0.39 1.70 0.23 -0.29 -1.01 119.30 119.96 2wu9 s MET 304 Ca 0.14 -0.74 -0.28 0.00 -1.03 0.00 0.00 55.69 53.79 2wu9 s MET 304 Cb -0.10 0.57 -0.11 0.00 -1.53 0.00 0.00 34.83 33.66 2wu9 s MET 304 CO 0.06 -0.63 1.44 1.63 -2.03 0.00 0.00 175.02 175.49 2wu9 n LYS 305 N -0.38 2.51 -0.30 3.16 5.02 -0.72 -0.45 118.16 127.00 2wu9 n LYS 305 Ca -0.11 0.88 0.05 0.00 -2.02 0.00 0.00 58.31 57.11 2wu9 n LYS 305 Cb 0.63 -2.61 0.19 0.00 -0.02 0.00 0.00 35.03 33.22 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 2.76 0.72 -0.54 1.97 2.43 -0.56 -0.96 114.38 120.20 2wu9 h ARG 306 Ca -0.50 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.63 2wu9 h ARG 306 Cb 1.25 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 2wu9 h ARG 306 CO 0.63 0.48 0.36 0.66 -1.51 0.00 0.00 179.97 180.59 2wu9 h SER 307 N 0.74 0.62 -0.14 -3.80 4.64 -1.41 0.12 113.55 114.32 2wu9 h SER 307 Ca 0.43 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.66 2wu9 h SER 307 Cb 0.48 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2wu9 h SER 307 CO -0.29 0.45 -0.18 0.58 -0.87 0.00 0.00 176.83 176.52 2wu9 h VAL 308 N 0.74 1.36 -0.79 0.95 2.07 -1.48 -1.36 116.25 117.74 2wu9 h VAL 308 Ca 0.20 -1.38 0.10 0.00 0.82 0.00 0.00 66.70 66.44 2wu9 h VAL 308 Cb -0.09 1.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 2wu9 h VAL 308 CO -0.04 0.41 0.43 0.00 0.02 0.00 0.00 177.57 178.38 2wu9 h ALA 309 N 0.59 1.12 -0.31 1.67 0.00 -0.87 -1.42 119.26 120.04 2wu9 h ALA 309 Ca 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2wu9 h ALA 309 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2wu9 h ALA 309 CO 0.04 0.03 -0.00 0.52 0.00 0.00 0.00 179.25 179.84 2wu9 h MET 310 N 0.71 0.55 -0.61 0.00 2.86 -0.89 -0.12 114.93 117.42 2wu9 h MET 310 Ca 0.39 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.88 2wu9 h MET 310 Cb 0.40 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 2wu9 h MET 310 CO -0.27 0.69 0.40 0.37 1.06 0.00 0.00 176.91 179.16 2wu9 h GLN 311 N 0.34 0.73 -0.00 1.72 -0.00 -0.97 -1.76 115.11 115.16 2wu9 h GLN 311 Ca 0.09 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 2wu9 h GLN 311 Cb 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.76 2wu9 h GLN 311 CO 0.02 0.48 -0.19 1.63 0.00 0.00 0.00 178.83 180.77 2wu9 n LYS 312 N -4.46 0.51 -2.28 1.69 5.02 -0.56 -4.94 118.16 113.15 2wu9 n LYS 312 Ca 0.07 -0.21 -0.14 0.00 -2.02 0.00 0.00 58.31 56.01 2wu9 n LYS 312 Cb 0.11 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.36 -0.19 3.67 0.72 0.00 -0.29 -4.99 105.19 105.46 2wu9 n GLY 313 Ca 0.12 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.93 4.16 0.29 0.99 1.43 -0.21 -5.03 118.68 116.38 2wu9 s LEU 314 Ca 0.01 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 2wu9 s LEU 314 Cb -0.00 -2.82 -0.11 0.00 0.03 0.00 0.00 46.19 43.28 2wu9 s LEU 314 CO 0.01 -0.22 1.55 -2.84 0.23 0.00 0.00 176.35 175.08 2wu9 s PRO 315 N 1.68 4.15 -0.18 1.29 0.02 -1.26 -4.66 135.00 136.04 2wu9 s PRO 315 Ca 0.27 2.52 -0.25 0.00 0.02 0.00 0.00 61.00 63.56 2wu9 s PRO 315 Cb -0.16 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 2wu9 s PRO 315 CO 0.10 -0.57 0.81 0.08 -0.33 0.00 0.00 177.00 177.09 2wu9 s VAL 316 N -0.15 4.89 -0.03 3.83 1.01 -1.26 -4.66 120.40 124.02 2wu9 s VAL 316 Ca 0.61 1.58 -0.08 0.00 0.00 0.00 0.00 61.98 64.09 2wu9 s VAL 316 Cb -0.46 -4.12 -0.30 0.00 0.00 0.00 0.00 36.38 31.50 2wu9 s VAL 316 CO 0.49 0.02 0.75 0.25 0.00 0.00 0.00 175.10 176.61 2wu9 h LEU 317 N 8.44 0.54 -7.93 3.92 5.85 -0.95 -1.82 115.31 123.36 2wu9 h LEU 317 Ca -0.28 -0.78 0.08 0.00 0.84 0.00 0.00 57.88 57.74 2wu9 h LEU 317 Cb 1.13 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 2wu9 h LEU 317 CO 0.84 1.65 0.26 -0.83 -0.34 0.00 0.00 178.44 180.03 2wu9 s GLY 318 N -5.03 -0.12 -0.09 3.75 0.00 -1.01 -1.31 107.32 103.51 2wu9 s GLY 318 Ca -0.13 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.39 2wu9 s GLY 318 CO 0.86 -0.07 -0.18 0.14 0.00 0.00 0.00 173.10 173.85 2wu9 s VAL 319 N -3.83 1.59 0.11 1.40 1.01 0.43 -0.12 120.40 121.00 2wu9 s VAL 319 Ca 0.11 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 2wu9 s VAL 319 Cb -0.05 -1.41 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 2wu9 s VAL 319 CO 0.06 0.46 1.20 0.12 0.00 0.00 0.00 175.10 176.94 2wu9 s PHE 320 N 0.59 3.43 -0.02 5.22 5.36 -0.23 -0.58 117.98 131.75 2wu9 s PHE 320 Ca -0.15 1.34 -0.05 0.00 -0.96 0.00 0.00 56.93 57.11 2wu9 s PHE 320 Cb -0.17 -3.43 -0.02 0.00 -0.34 0.00 0.00 43.02 39.07 2wu9 s PHE 320 CO 0.05 -1.28 -0.09 0.54 -1.46 0.00 0.00 175.22 172.98 2wu9 n ARG 321 N 3.36 0.14 -4.04 10.12 5.12 -0.15 -4.59 116.66 126.62 2wu9 n ARG 321 Ca 0.07 0.05 -0.08 0.00 -1.93 0.00 0.00 57.85 55.97 2wu9 n ARG 321 Cb 0.45 -0.62 -0.09 0.00 -1.16 0.00 0.00 32.46 31.05 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 -1.76 0.17 -0.05 0.55 -4.23 -1.10 -4.97 115.64 104.25 2wu9 s THR 322 Ca -0.07 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 2wu9 s THR 322 Cb 0.01 -1.59 0.02 0.00 1.34 0.00 0.00 72.50 72.28 2wu9 s THR 322 CO 0.11 -0.78 0.13 0.12 -0.54 0.00 0.00 174.62 173.66 2wu9 s PHE 323 N -3.93 -0.15 -0.01 3.99 5.36 -1.26 -1.13 117.98 120.86 2wu9 s PHE 323 Ca 0.10 0.37 0.03 0.00 -0.96 0.00 0.00 56.93 56.47 2wu9 s PHE 323 Cb 0.07 0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.77 2wu9 s PHE 323 CO -0.08 -0.08 -0.10 0.00 -1.46 0.00 0.00 175.22 173.50 2wu9 s ALA 324 N 0.24 0.87 -0.12 11.12 0.00 0.09 -4.90 121.76 129.07 2wu9 s ALA 324 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 2wu9 s ALA 324 Cb -0.03 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.89 2wu9 s ALA 324 CO -0.01 0.20 -0.02 0.00 0.00 0.00 0.00 175.76 175.94 2wu9 s ALA 325 N -0.16 1.01 0.12 0.00 0.00 -1.26 -1.01 121.76 120.45 2wu9 s ALA 325 Ca 0.03 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.64 2wu9 s ALA 325 Cb -0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2wu9 s ALA 325 CO -0.00 -0.63 -0.20 0.14 0.00 0.00 0.00 175.76 175.06 2wu9 s VAL 326 N 1.84 1.73 0.16 0.00 -7.23 -0.12 -4.98 120.40 111.81 2wu9 s VAL 326 Ca 0.03 -1.63 -0.13 0.00 -1.81 0.00 0.00 61.98 58.45 2wu9 s VAL 326 Cb -0.14 -1.62 -0.07 0.00 0.56 0.00 0.00 36.38 35.12 2wu9 s VAL 326 CO -0.07 -0.12 0.54 -0.83 -0.31 0.00 0.00 175.10 174.31 2wu9 s GLY 327 N -2.08 2.41 0.28 2.32 0.00 -1.26 -0.85 107.32 108.15 2wu9 s GLY 327 Ca 0.08 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.66 2wu9 s GLY 327 CO 0.05 0.07 0.19 -1.34 0.00 0.00 0.00 173.10 172.06 2wu9 s VAL 328 N -1.54 0.14 -0.01 1.40 -7.23 0.13 -4.91 120.40 108.39 2wu9 s VAL 328 Ca 0.39 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.26 2wu9 s VAL 328 Cb -0.14 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 2wu9 s VAL 328 CO 0.19 0.00 1.99 -0.67 -0.31 0.00 0.00 175.10 176.31 2wu9 n ASP 329 N -0.94 3.98 -0.04 4.85 -0.08 -1.26 -4.51 116.55 118.54 2wu9 n ASP 329 Ca 0.03 0.84 0.18 0.00 -1.51 0.00 0.00 54.79 54.34 2wu9 n ASP 329 Cb 0.64 -1.51 0.64 0.00 2.34 0.00 0.00 41.12 43.23 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 10.87 0.12 0.00 -0.67 0.11 -1.84 -1.17 132.00 139.41 2wu9 h PRO 330 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 2wu9 h PRO 330 Cb 1.25 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wu9 h PRO 330 CO 0.94 0.08 -0.08 0.00 -0.21 0.00 0.00 178.00 178.73 2wu9 h ALA 331 N 1.71 1.13 -1.46 -0.75 0.00 -1.89 -2.96 119.26 115.04 2wu9 h ALA 331 Ca 0.28 -0.07 -0.49 0.00 0.00 0.00 0.00 54.91 54.63 2wu9 h ALA 331 Cb 0.93 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.30 2wu9 h ALA 331 CO -0.03 0.10 -0.96 0.44 0.00 0.00 0.00 179.25 178.79 2wu9 n ILE 332 N -3.37 1.60 0.24 0.00 -5.35 -0.47 -4.46 119.36 107.56 2wu9 n ILE 332 Ca -0.01 -4.22 0.16 0.00 -0.27 0.00 0.00 62.75 58.41 2wu9 n ILE 332 Cb 0.25 -0.40 0.86 0.00 -1.74 0.00 0.00 39.64 38.61 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 2.84 0.00 0.00 6.28 -0.00 -1.31 -1.81 114.93 120.93 2wu9 h MET 333 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.80 2wu9 h MET 333 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.58 2wu9 h MET 333 CO 0.67 0.00 0.08 0.78 -0.00 0.00 0.00 176.91 178.43 2wu9 h GLY 334 N 0.00 0.00 1.57 -3.00 0.00 -1.88 -0.92 103.07 98.84 2wu9 h GLY 334 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 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 -2.93 0.40 -0.34 2.60 -5.35 -0.68 -4.35 119.36 108.72 2wu9 n ILE 335 Ca -0.03 0.10 -0.06 0.00 -0.27 0.00 0.00 62.75 62.50 2wu9 n ILE 335 Cb 0.14 -0.78 -0.03 0.00 -1.74 0.00 0.00 39.64 37.23 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 0.38 -1.96 0.26 3.28 0.00 -0.35 -0.66 105.19 106.14 2wu9 n GLY 336 Ca 0.09 0.96 0.08 0.00 0.00 0.00 0.00 46.02 47.16 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 -1.76 0.18 132.00 132.14 2wu9 h PRO 337 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 2wu9 h PRO 337 Cb 0.40 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 2wu9 h PRO 337 CO -0.80 0.01 -0.07 0.00 -0.21 0.00 0.00 178.00 176.94 2wu9 h ALA 338 N 1.99 1.21 0.00 -0.75 0.00 -1.20 -1.16 119.26 119.35 2wu9 h ALA 338 Ca -0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 54.91 54.46 2wu9 h ALA 338 Cb 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 2wu9 h ALA 338 CO 0.00 0.08 -2.48 0.28 0.00 0.00 0.00 179.25 177.14 2wu9 n VAL 339 N -3.48 1.50 -0.00 0.00 0.31 -0.61 -4.47 118.33 111.57 2wu9 n VAL 339 Ca -0.02 -0.56 -0.13 0.00 -0.01 0.00 0.00 64.34 63.62 2wu9 n VAL 339 Cb 0.20 -1.45 -0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 -0.05 0.52 0.05 3.52 0.00 -0.88 -2.88 119.26 119.54 2wu9 h ALA 340 Ca -0.58 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 53.76 2wu9 h ALA 340 Cb 1.89 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2wu9 h ALA 340 CO -0.10 0.71 -0.02 0.82 0.00 0.00 0.00 179.25 180.65 2wu9 h ILE 341 N 0.46 1.03 -0.94 0.00 2.04 -1.45 -0.65 117.51 117.99 2wu9 h ILE 341 Ca -0.02 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.67 2wu9 h ILE 341 Cb 1.26 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 38.47 2wu9 h ILE 341 CO 0.13 0.06 0.61 -0.65 0.00 0.00 0.00 178.15 178.30 2wu9 h PRO 342 N -0.18 1.00 -0.33 2.37 0.11 -1.77 -0.74 132.00 132.47 2wu9 h PRO 342 Ca -0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 2wu9 h PRO 342 Cb 0.16 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 2wu9 h PRO 342 CO 0.01 0.66 0.13 0.00 -0.21 0.00 0.00 178.00 178.59 2wu9 h ALA 343 N 1.51 0.43 -0.23 -0.75 0.00 -1.21 0.30 119.26 119.31 2wu9 h ALA 343 Ca 0.42 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 2wu9 h ALA 343 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2wu9 h ALA 343 CO -0.17 0.03 -0.47 0.00 0.00 0.00 0.00 179.25 178.63 2wu9 h ALA 344 N 0.97 0.73 -0.24 0.00 0.00 -0.74 -1.39 119.26 118.60 2wu9 h ALA 344 Ca 0.11 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2wu9 h ALA 344 Cb 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wu9 h ALA 344 CO -0.01 0.67 -0.18 0.28 0.00 0.00 0.00 179.25 180.01 2wu9 h VAL 345 N 0.49 1.31 -0.68 0.00 2.07 -1.02 -2.49 116.25 115.94 2wu9 h VAL 345 Ca 0.03 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.25 2wu9 h VAL 345 Cb 1.01 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 2wu9 h VAL 345 CO 0.09 0.41 0.44 0.50 0.02 0.00 0.00 177.57 179.03 2wu9 h LYS 346 N 0.25 0.87 -0.02 1.57 3.64 -0.90 -1.52 116.57 120.46 2wu9 h LYS 346 Ca 0.05 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2wu9 h LYS 346 Cb 0.71 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2wu9 h LYS 346 CO 0.05 0.58 0.02 0.00 -2.27 0.00 0.00 179.45 177.82 2wu9 h ALA 347 N 1.26 1.77 -0.01 5.00 0.00 -1.07 -0.70 119.26 125.51 2wu9 h ALA 347 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wu9 h ALA 347 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2wu9 h ALA 347 CO -0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 179.25 179.08 2wu9 n ALA 348 N -2.42 2.72 -1.00 0.00 0.00 -0.66 -4.90 120.51 114.25 2wu9 n ALA 348 Ca -0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 53.44 53.11 2wu9 n ALA 348 Cb 0.11 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.21 0.45 3.86 0.00 0.00 -0.27 -5.04 105.19 105.39 2wu9 n GLY 349 Ca 0.17 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.03 3.18 0.32 0.99 1.43 -0.71 -5.02 118.68 118.85 2wu9 s LEU 350 Ca 0.00 -0.92 0.09 0.00 -1.03 0.00 0.00 54.13 52.27 2wu9 s LEU 350 Cb 0.00 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 2wu9 s LEU 350 CO 0.00 -0.74 0.05 -1.61 0.23 0.00 0.00 176.35 174.28 2wu9 s GLU 351 N -4.13 2.23 0.30 1.70 0.41 -1.26 -3.97 118.70 113.99 2wu9 s GLU 351 Ca 0.44 -1.60 0.03 0.00 -0.41 0.00 0.00 54.97 53.43 2wu9 s GLU 351 Cb -0.02 -2.07 0.60 0.00 -1.78 0.00 0.00 34.13 30.86 2wu9 s GLU 351 CO 0.26 0.18 1.87 -0.07 -0.49 0.00 0.00 175.26 177.01 2wu9 h LEU 352 N 1.73 0.87 -1.92 1.80 3.38 -1.97 -0.27 115.31 118.94 2wu9 h LEU 352 Ca -0.43 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2wu9 h LEU 352 Cb 1.25 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2wu9 h LEU 352 CO 0.64 0.50 0.00 0.44 0.09 0.00 0.00 178.44 180.11 2wu9 h ASP 353 N 0.95 0.00 0.76 -0.43 3.32 -1.97 -1.97 116.42 117.08 2wu9 h ASP 353 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 2wu9 h ASP 353 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2wu9 h ASP 353 CO -0.21 0.00 -0.21 0.47 -1.72 0.00 0.00 179.24 177.58 2wu9 n ASP 354 N -2.63 0.23 -4.70 6.45 8.00 -0.11 -4.78 116.55 119.00 2wu9 n ASP 354 Ca -0.01 0.13 -0.40 0.00 0.71 0.00 0.00 54.79 55.22 2wu9 n ASP 354 Cb 0.09 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.97 5.06 -0.11 0.53 -1.09 -0.74 -4.52 121.20 117.36 2wu9 s ILE 355 Ca 0.14 1.30 0.21 0.00 -2.23 0.00 0.00 60.65 60.07 2wu9 s ILE 355 Cb 0.18 -3.98 -0.22 0.00 -1.58 0.00 0.00 42.46 36.86 2wu9 s ILE 355 CO 0.59 0.22 0.62 0.47 -1.23 0.00 0.00 174.94 175.62 2wu9 n ASP 356 N 4.15 0.31 -3.73 3.58 8.00 0.65 -4.95 116.55 124.55 2wu9 n ASP 356 Ca -0.02 0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 2wu9 n ASP 356 Cb 0.51 1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 42.83 2wu9 n ASP 356 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2wu9 s LEU 357 N -4.95 0.47 -0.01 0.64 2.96 -1.00 -4.83 118.68 111.96 2wu9 s LEU 357 Ca -0.06 0.74 0.05 0.00 -0.22 0.00 0.00 54.13 54.64 2wu9 s LEU 357 Cb 0.12 1.40 -0.01 0.00 0.50 0.00 0.00 46.19 48.19 2wu9 s LEU 357 CO 0.86 -0.18 -0.16 -0.36 -1.32 0.00 0.00 176.35 175.18 2wu9 s PHE 358 N 0.02 1.46 -0.45 5.38 0.08 0.42 -1.15 117.98 123.74 2wu9 s PHE 358 Ca -0.02 -0.28 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 2wu9 s PHE 358 Cb -0.03 -0.94 0.12 0.00 -0.57 0.00 0.00 43.02 41.60 2wu9 s PHE 358 CO 0.01 -0.02 0.24 -1.21 -0.10 0.00 0.00 175.22 174.14 2wu9 s GLU 359 N -0.43 2.06 -0.27 0.44 0.41 0.76 -1.00 118.70 120.67 2wu9 s GLU 359 Ca 0.06 -2.04 -0.07 0.00 -0.41 0.00 0.00 54.97 52.52 2wu9 s GLU 359 Cb -0.06 -3.55 -0.01 0.00 -1.78 0.00 0.00 34.13 28.72 2wu9 s GLU 359 CO -0.01 -1.08 0.06 0.42 -0.49 0.00 0.00 175.26 174.17 2wu9 s ILE 360 N 0.75 4.07 0.34 -1.63 1.01 -1.26 -0.70 121.20 123.78 2wu9 s ILE 360 Ca 0.11 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 2wu9 s ILE 360 Cb -0.22 -2.98 -0.11 0.00 0.01 0.00 0.00 42.46 39.16 2wu9 s ILE 360 CO -0.04 0.24 1.46 0.21 0.00 0.00 0.00 174.94 176.81 2wu9 s ASN 361 N 1.55 6.47 -1.33 3.58 2.47 -0.32 -4.88 114.94 122.49 2wu9 s ASN 361 Ca 0.05 2.92 -0.08 0.00 0.42 0.00 0.00 52.86 56.16 2wu9 s ASN 361 Cb -0.16 -2.65 0.13 0.00 -1.45 0.00 0.00 41.25 37.12 2wu9 s ASN 361 CO 0.02 -0.79 2.13 -0.62 -3.72 0.00 0.00 177.10 174.12 2wu9 n GLU 362 N 1.06 3.91 0.01 0.43 1.02 -1.26 -4.73 120.64 121.08 2wu9 n GLU 362 Ca 0.03 -3.37 -0.12 0.00 -0.02 0.00 0.00 57.16 53.68 2wu9 n GLU 362 Cb 0.39 -2.84 -0.07 0.00 -0.02 0.00 0.00 31.44 28.91 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 5.32 0.07 -3.43 0.62 0.00 -1.96 -3.19 119.26 116.70 2wu9 h ALA 363 Ca 0.54 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 55.19 2wu9 h ALA 363 Cb 0.50 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 18.00 2wu9 h ALA 363 CO 1.60 -0.38 -0.59 -0.06 0.00 0.00 0.00 179.25 179.83 2wu9 s PHE 364 N -5.75 -0.10 0.36 0.00 0.08 -1.26 -0.65 117.98 110.66 2wu9 s PHE 364 Ca -0.14 0.25 0.08 0.00 0.12 0.00 0.00 56.93 57.25 2wu9 s PHE 364 Cb 0.06 0.03 0.80 0.00 -0.57 0.00 0.00 43.02 43.34 2wu9 s PHE 364 CO 0.67 -0.07 1.90 0.00 -0.10 0.00 0.00 175.22 177.63 2wu9 h ALA 365 N 5.87 1.81 -0.17 5.36 0.00 -1.27 -0.79 119.26 130.06 2wu9 h ALA 365 Ca -0.25 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2wu9 h ALA 365 Cb 1.20 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 2wu9 h ALA 365 CO 0.44 0.00 -0.30 0.66 0.00 0.00 0.00 179.25 180.05 2wu9 h SER 366 N 0.70 -0.95 0.88 0.00 4.64 -1.90 0.20 113.55 117.12 2wu9 h SER 366 Ca 0.40 0.15 -0.21 0.00 -0.47 0.00 0.00 61.79 61.66 2wu9 h SER 366 Cb 0.56 0.42 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 2wu9 h SER 366 CO -0.16 -0.34 -0.97 0.06 -0.87 0.00 0.00 176.83 174.55 2wu9 h GLN 367 N -0.36 0.04 0.05 4.77 -0.00 -1.75 -1.97 115.11 115.91 2wu9 h GLN 367 Ca 0.11 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.69 2wu9 h GLN 367 Cb 0.53 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.03 2wu9 h GLN 367 CO -0.37 0.97 -0.03 0.35 -0.00 0.00 0.00 178.83 179.75 2wu9 h PHE 368 N 0.02 -0.07 -0.56 0.06 3.57 -0.96 -0.50 116.94 118.51 2wu9 h PHE 368 Ca -0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2wu9 h PHE 368 Cb 1.68 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.42 2wu9 h PHE 368 CO 0.01 0.06 0.33 0.28 -2.23 0.00 0.00 178.31 176.76 2wu9 h VAL 369 N -0.18 1.17 -0.25 1.41 2.07 -0.98 -1.53 116.25 117.96 2wu9 h VAL 369 Ca -0.01 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.14 2wu9 h VAL 369 Cb 0.16 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2wu9 h VAL 369 CO 0.01 0.18 0.06 0.22 0.02 0.00 0.00 177.57 178.06 2wu9 h TYR 370 N 0.75 0.10 -0.55 1.57 3.20 -1.18 -1.07 116.97 119.79 2wu9 h TYR 370 Ca 0.20 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2wu9 h TYR 370 Cb 0.01 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2wu9 h TYR 370 CO -0.02 0.04 0.19 0.00 -1.64 0.00 0.00 178.16 176.72 2wu9 h ARG 372 N 0.76 0.38 -0.29 0.00 2.43 -1.04 -1.37 114.38 115.26 2wu9 h ARG 372 Ca 0.18 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 2wu9 h ARG 372 Cb 0.26 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2wu9 h ARG 372 CO -0.01 0.25 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.63 2wu9 h ASN 373 N 0.39 0.64 -0.83 -3.80 2.35 -0.87 -1.87 115.58 111.60 2wu9 h ASN 373 Ca 0.14 -0.42 0.04 0.00 -0.55 0.00 0.00 56.30 55.51 2wu9 h ASN 373 Cb 0.02 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 2wu9 h ASN 373 CO -0.08 0.92 0.52 0.50 -1.65 0.00 0.00 177.43 177.64 2wu9 h LYS 374 N 0.36 0.96 -0.00 0.81 1.63 -0.36 -1.43 116.57 118.54 2wu9 h LYS 374 Ca 0.06 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wu9 h LYS 374 Cb 0.69 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2wu9 h LYS 374 CO 0.05 0.64 -0.17 1.28 -3.45 0.00 0.00 179.45 177.79 2wu9 n LEU 375 N -4.60 0.34 -2.10 5.20 4.77 -0.53 -4.94 117.00 115.14 2wu9 n LEU 375 Ca 0.11 0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 56.07 2wu9 n LEU 375 Cb 0.12 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2wu9 n LEU 375 CO 0.33 0.07 -0.09 0.61 -1.33 0.00 0.00 177.39 176.97 2wu9 n GLY 376 N 1.40 -0.26 3.82 -0.72 0.00 -0.54 -4.98 105.19 103.91 2wu9 n GLY 376 Ca 0.10 -0.15 -0.33 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 -4.89 4.01 -0.20 0.99 1.43 -0.80 -4.99 118.68 114.22 2wu9 s LEU 377 Ca 0.12 1.67 -0.29 0.00 -1.03 0.00 0.00 54.13 54.61 2wu9 s LEU 377 Cb -0.05 -4.43 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 2wu9 s LEU 377 CO 0.15 -0.31 1.67 -0.62 0.23 0.00 0.00 176.35 177.48 2wu9 s ASP 378 N -2.11 6.34 0.57 2.29 -1.08 -1.26 -4.88 116.67 116.55 2wu9 s ASP 378 Ca 0.60 1.72 0.27 0.00 -0.52 0.00 0.00 52.55 54.62 2wu9 s ASP 378 Cb -0.10 -2.53 1.51 0.00 -1.46 0.00 0.00 42.92 40.34 2wu9 s ASP 378 CO 0.15 -1.27 2.01 -0.65 0.52 0.00 0.00 175.17 175.93 2wu9 h PRO 379 N 10.91 0.00 0.00 4.34 0.11 -1.96 -0.18 132.00 145.22 2wu9 h PRO 379 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2wu9 h PRO 379 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wu9 h PRO 379 CO 0.99 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.17 2wu9 n GLU 380 N -3.98 0.26 -0.08 1.05 -0.58 -1.26 -2.61 120.64 113.44 2wu9 n GLU 380 Ca 0.06 0.09 0.10 0.00 -0.42 0.00 0.00 57.16 56.99 2wu9 n GLU 380 Cb 0.50 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 30.01 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 -1.32 2.08 -5.02 3.49 5.02 -0.08 -4.87 118.16 117.47 2wu9 n LYS 381 Ca 0.10 -1.92 -0.32 0.00 -2.02 0.00 0.00 58.31 54.14 2wu9 n LYS 381 Cb 0.18 -1.42 -0.16 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.53 2.52 -1.30 -0.18 1.01 -1.07 -0.43 121.20 120.21 2wu9 s ILE 382 Ca 0.29 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 2wu9 s ILE 382 Cb 0.18 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.66 2wu9 s ILE 382 CO 0.27 0.54 0.52 0.59 0.00 0.00 0.00 174.94 176.86 2wu9 n ASN 383 N 3.48 -2.65 0.28 3.58 3.02 -0.17 -4.80 115.26 118.00 2wu9 n ASN 383 Ca -0.19 -1.17 0.18 0.00 -0.03 0.00 0.00 54.58 53.37 2wu9 n ASN 383 Cb 0.53 -2.32 0.77 0.00 -0.61 0.00 0.00 39.78 38.15 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 -2.15 0.00 -0.43 2.41 -1.51 -1.85 -0.91 116.25 111.81 2wu9 h VAL 384 Ca -0.68 -0.38 -0.06 0.00 -1.23 0.00 0.00 66.70 64.35 2wu9 h VAL 384 Cb 1.39 1.35 -0.03 0.00 -2.13 0.00 0.00 31.29 31.87 2wu9 h VAL 384 CO 0.57 0.00 0.04 0.59 -1.23 0.00 0.00 177.57 177.54 2wu9 n ASN 385 N -3.01 4.40 0.00 4.19 3.02 -1.26 -4.84 115.26 117.76 2wu9 n ASN 385 Ca -0.00 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 2wu9 n ASN 385 Cb 0.25 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 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 -0.23 -0.21 0.00 7.41 0.00 -0.35 -3.25 105.19 108.57 2wu9 n GLY 386 Ca 0.28 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.15 4.35 0.31 -0.02 0.00 -1.26 -4.80 105.19 103.62 2wu9 n GLY 387 Ca 0.00 -1.30 0.19 0.00 0.00 0.00 0.00 46.02 44.91 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 1.27 1.09 0.00 4.61 0.00 -1.81 0.35 119.26 124.77 2wu9 h ALA 388 Ca 0.00 -0.02 -0.06 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 0.03 -0.29 0.52 0.00 0.00 0.00 179.25 179.51 2wu9 h MET 389 N 0.00 0.00 0.00 0.00 2.86 -1.81 -1.14 114.93 114.83 2wu9 h MET 389 Ca -0.00 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.24 2wu9 h MET 389 Cb 0.18 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 2wu9 h MET 389 CO 0.00 0.29 -2.48 0.00 1.06 0.00 0.00 176.91 175.79 2wu9 n ALA 390 N -2.47 1.42 0.64 6.32 0.00 -0.06 -4.50 120.51 121.85 2wu9 n ALA 390 Ca -0.02 -1.10 0.06 0.00 0.00 0.00 0.00 53.44 52.38 2wu9 n ALA 390 Cb 0.34 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 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 -3.37 0.00 0.00 0.00 -5.35 -0.19 -2.03 119.36 108.42 2wu9 n ILE 391 Ca -0.47 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 2wu9 n ILE 391 Cb 0.97 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.87 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 1.33 1.66 2.35 3.28 0.00 -0.47 -4.60 105.19 108.74 2wu9 n GLY 392 Ca 0.03 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.79 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 1.34 -1.05 -2.15 1.61 -0.00 -0.49 -4.41 115.22 110.07 2wu9 n HIS 393 Ca 0.00 -3.18 -0.42 0.00 0.46 0.00 0.00 57.72 54.58 2wu9 n HIS 393 Cb 0.00 0.16 -0.03 0.00 -0.12 0.00 0.00 29.99 30.01 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 -0.40 3.35 0.11 1.57 0.02 -1.26 -4.20 135.00 134.19 2wu9 s PRO 394 Ca 0.34 1.11 -0.21 0.00 0.02 0.00 0.00 61.00 62.26 2wu9 s PRO 394 Cb 0.11 -4.15 -0.05 0.00 0.02 0.00 0.00 34.50 30.43 2wu9 s PRO 394 CO -0.15 -1.85 1.37 -0.07 -0.33 0.00 0.00 177.00 175.97 2wu9 h LEU 395 N 13.39 -1.47 -1.31 -5.54 3.38 -1.90 0.14 115.31 122.01 2wu9 h LEU 395 Ca -0.30 0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2wu9 h LEU 395 Cb 1.14 0.65 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 2wu9 h LEU 395 CO 1.08 -0.16 -0.26 1.23 0.09 0.00 0.00 178.44 180.41 2wu9 h GLY 396 N -0.01 0.14 1.56 0.83 0.00 -1.81 -3.00 103.07 100.78 2wu9 h GLY 396 Ca 0.11 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2wu9 h GLY 396 CO -0.63 0.09 -0.34 0.00 0.00 0.00 0.00 176.54 175.66 2wu9 h ALA 397 N 1.62 0.98 -0.29 3.60 0.00 -0.88 -2.59 119.26 121.70 2wu9 h ALA 397 Ca 0.02 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.59 2wu9 h ALA 397 Cb 0.53 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2wu9 h ALA 397 CO 0.04 0.61 -0.14 1.15 0.00 0.00 0.00 179.25 180.90 2wu9 h THR 398 N 0.42 0.56 -0.42 0.00 2.02 -1.24 0.12 112.91 114.37 2wu9 h THR 398 Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2wu9 h THR 398 Cb 0.80 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2wu9 h THR 398 CO 0.06 0.00 0.19 1.23 0.37 0.00 0.00 175.52 177.37 2wu9 h GLY 399 N -0.10 0.62 0.58 2.16 0.00 -1.77 0.16 103.07 104.73 2wu9 h GLY 399 Ca 0.15 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 2wu9 h GLY 399 CO -0.36 0.27 -0.75 0.00 0.00 0.00 0.00 176.54 175.70 2wu9 h ALA 400 N 1.62 -0.06 -0.32 3.60 0.00 -1.38 -3.26 119.26 119.47 2wu9 h ALA 400 Ca 0.15 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2wu9 h ALA 400 Cb 0.09 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2wu9 h ALA 400 CO -0.02 0.36 0.06 0.07 0.00 0.00 0.00 179.25 179.72 2wu9 h ARG 401 N -0.46 0.47 0.00 0.00 -0.00 -0.56 -1.93 114.38 111.90 2wu9 h ARG 401 Ca -0.14 -0.08 -0.04 0.00 -0.00 0.00 0.00 59.98 59.73 2wu9 h ARG 401 Cb 1.56 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.97 31.45 2wu9 h ARG 401 CO 0.12 0.45 -0.18 0.00 -0.00 0.00 0.00 179.97 180.36 2wu9 h VAL 403 N 0.00 1.26 -0.18 0.00 2.07 -1.39 0.36 116.25 118.37 2wu9 h VAL 403 Ca -0.00 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2wu9 h VAL 403 Cb 0.36 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2wu9 h VAL 403 CO 0.02 0.36 0.03 0.00 0.02 0.00 0.00 177.57 178.00 2wu9 h ALA 404 N 1.10 0.24 -0.67 1.67 0.00 -1.21 -0.83 119.26 119.56 2wu9 h ALA 404 Ca 0.23 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wu9 h ALA 404 Cb 0.32 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2wu9 h ALA 404 CO -0.01 -0.11 0.44 1.15 0.00 0.00 0.00 179.25 180.73 2wu9 h THR 405 N 0.09 1.17 0.19 0.00 2.02 -1.04 -1.18 112.91 114.16 2wu9 h THR 405 Ca 0.05 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2wu9 h THR 405 Cb 0.29 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2wu9 h THR 405 CO 0.00 0.16 -0.09 0.25 0.37 0.00 0.00 175.52 176.22 2wu9 h LEU 406 N 0.90 -0.22 -0.63 2.58 5.85 -0.87 -2.59 115.31 120.34 2wu9 h LEU 406 Ca 0.25 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2wu9 h LEU 406 Cb -0.10 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2wu9 h LEU 406 CO -0.06 0.07 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.85 2wu9 h LEU 407 N -0.51 0.89 -1.04 2.25 3.38 -1.01 -0.46 115.31 118.81 2wu9 h LEU 407 Ca -0.03 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 2wu9 h LEU 407 Cb 0.39 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2wu9 h LEU 407 CO 0.04 1.06 -0.33 0.45 0.09 0.00 0.00 178.44 179.75 2wu9 h HIS 408 N 0.77 0.30 -0.29 1.13 3.86 -1.27 -0.06 115.15 119.59 2wu9 h HIS 408 Ca 0.11 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.11 2wu9 h HIS 408 Cb 0.72 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 2wu9 h HIS 408 CO 0.04 0.57 -0.35 1.49 0.86 0.00 0.00 177.93 180.55 2wu9 h GLU 409 N 0.23 0.75 -0.86 2.45 4.57 -1.08 -2.31 114.58 118.33 2wu9 h GLU 409 Ca 0.03 -0.42 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 2wu9 h GLU 409 Cb 0.70 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.28 2wu9 h GLU 409 CO 0.05 1.04 0.46 0.52 -1.18 0.00 0.00 179.01 179.90 2wu9 h MET 410 N 0.50 1.20 -0.17 1.92 2.86 -0.85 -1.34 114.93 119.05 2wu9 h MET 410 Ca 0.04 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2wu9 h MET 410 Cb 0.93 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 32.31 2wu9 h MET 410 CO 0.08 0.88 -0.12 -0.22 1.06 0.00 0.00 176.91 178.60 2wu9 h LYS 411 N 1.20 -0.12 -0.34 1.72 3.64 -0.91 -2.68 116.57 119.08 2wu9 h LYS 411 Ca 0.30 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2wu9 h LYS 411 Cb 0.04 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2wu9 h LYS 411 CO -0.05 -0.08 -0.06 -0.09 -2.27 0.00 0.00 179.45 176.90 2wu9 h ARG 412 N -0.12 0.55 0.00 1.90 2.43 -0.87 -2.93 114.38 115.34 2wu9 h ARG 412 Ca 0.10 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wu9 h ARG 412 Cb 0.27 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2wu9 h ARG 412 CO -0.25 0.63 0.00 0.54 -1.51 0.00 0.00 179.97 179.38 2wu9 n ARG 413 N -4.23 0.33 0.00 0.20 1.74 -0.55 -5.02 116.66 109.13 2wu9 n ARG 413 Ca 0.01 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2wu9 n ARG 413 Cb 0.29 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 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 1.17 -0.89 0.34 -0.13 0.00 -1.09 -4.38 105.19 100.21 2wu9 n GLY 414 Ca 0.12 -1.67 0.18 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 -1.89 -0.62 116.57 117.24 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 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.36 2wu9 h ASP 416 N 0.00 0.00 -1.42 0.86 3.32 -1.95 -3.30 116.42 113.94 2wu9 h ASP 416 Ca 0.07 0.00 -0.76 0.00 0.02 0.00 0.00 57.03 56.36 2wu9 h ASP 416 Cb 0.44 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.83 2wu9 h ASP 416 CO -0.00 0.08 1.99 0.00 -1.72 0.00 0.00 179.24 179.60 2wu9 h ARG 418 N 5.79 0.27 -5.94 0.00 2.43 -1.80 -3.41 114.38 111.71 2wu9 h ARG 418 Ca 0.39 -0.47 -0.65 0.00 -0.81 0.00 0.00 59.98 58.44 2wu9 h ARG 418 Cb 0.64 0.17 -0.31 0.00 -0.42 0.00 0.00 29.97 30.05 2wu9 h ARG 418 CO 1.61 1.14 -0.87 -0.06 -1.51 0.00 0.00 179.97 180.28 2wu9 s PHE 419 N -2.61 2.17 0.08 2.20 0.08 -1.26 -0.32 117.98 118.32 2wu9 s PHE 419 Ca -0.11 -0.57 0.02 0.00 0.12 0.00 0.00 56.93 56.39 2wu9 s PHE 419 Cb 0.07 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.06 2wu9 s PHE 419 CO 0.85 -0.15 -0.08 0.20 -0.10 0.00 0.00 175.22 175.94 2wu9 s GLY 420 N -0.23 0.69 -0.04 4.36 0.00 -0.08 -0.25 107.32 111.76 2wu9 s GLY 420 Ca 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.67 2wu9 s GLY 420 CO 0.02 -1.17 -0.15 0.14 0.00 0.00 0.00 173.10 171.94 2wu9 s VAL 421 N -2.47 1.29 -0.16 1.40 1.01 -0.30 -0.39 120.40 120.78 2wu9 s VAL 421 Ca 0.02 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2wu9 s VAL 421 Cb -0.03 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2wu9 s VAL 421 CO -0.02 0.38 -0.01 -0.69 0.00 0.00 0.00 175.10 174.76 2wu9 s VAL 422 N 0.09 4.14 0.02 2.92 1.01 -0.71 -0.17 120.40 127.71 2wu9 s VAL 422 Ca -0.04 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 2wu9 s VAL 422 Cb -0.11 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.45 2wu9 s VAL 422 CO 0.02 0.48 0.23 -0.55 0.00 0.00 0.00 175.10 175.28 2wu9 s SER 423 N 0.38 -0.05 0.02 3.32 0.15 0.13 -0.89 113.70 116.77 2wu9 s SER 423 Ca -0.02 -0.20 -0.23 0.00 0.70 0.00 0.00 55.95 56.20 2wu9 s SER 423 Cb -0.14 0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.51 2wu9 s SER 423 CO 0.02 -0.50 0.53 0.00 1.20 0.00 0.00 173.24 174.49 2wu9 s MET 424 N -2.03 1.00 0.72 5.44 0.23 -0.85 -1.18 119.30 122.64 2wu9 s MET 424 Ca -0.09 -0.12 -0.11 0.00 -1.03 0.00 0.00 55.69 54.34 2wu9 s MET 424 Cb -0.03 0.46 0.02 0.00 -1.53 0.00 0.00 34.83 33.75 2wu9 s MET 424 CO -0.01 -0.34 1.07 0.00 -2.03 0.00 0.00 175.02 173.71 2wu9 s ILE 426 N -3.13 0.03 0.45 0.00 1.01 0.19 -4.59 121.20 115.16 2wu9 s ILE 426 Ca 0.59 0.26 -0.23 0.00 0.00 0.00 0.00 60.65 61.26 2wu9 s ILE 426 Cb -0.13 -0.21 -0.10 0.00 0.01 0.00 0.00 42.46 42.03 2wu9 s ILE 426 CO 0.54 0.16 0.97 0.61 0.00 0.00 0.00 174.94 177.22 2wu9 n GLY 427 N 4.72 -0.32 3.00 6.18 0.00 -1.26 -1.45 105.19 116.06 2wu9 n GLY 427 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.70 0.00 -0.19 2.61 -2.24 -1.26 -4.55 114.28 107.94 2wu9 n THR 428 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2wu9 n THR 428 Cb 0.40 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.01 0.77 3.26 3.38 0.00 -0.53 -4.22 105.19 105.85 2wu9 n GLY 429 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.13 1.14 0.03 1.61 1.00 -0.81 -0.69 119.30 119.45 2wu9 s MET 430 Ca 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 55.69 54.31 2wu9 s MET 430 Cb 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 34.83 35.12 2wu9 s MET 430 CO 0.00 -0.38 -0.08 0.20 0.00 0.00 0.00 175.02 174.76 2wu9 s GLY 431 N -3.06 0.48 0.09 -0.03 0.00 -0.03 -0.64 107.32 104.13 2wu9 s GLY 431 Ca 0.26 -0.61 0.06 0.00 0.00 0.00 0.00 44.72 44.43 2wu9 s GLY 431 CO 0.05 -0.62 -0.15 0.00 0.00 0.00 0.00 173.10 172.37 2wu9 s ALA 432 N -0.91 1.38 -0.10 3.20 0.00 -0.83 -0.95 121.76 123.55 2wu9 s ALA 432 Ca -0.04 -1.13 -0.20 0.00 0.00 0.00 0.00 51.96 50.59 2wu9 s ALA 432 Cb -0.07 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 22.97 2wu9 s ALA 432 CO 0.00 0.19 0.49 0.00 0.00 0.00 0.00 175.76 176.44 2wu9 s ALA 433 N -1.48 -1.23 0.01 0.00 0.00 -0.18 -2.00 121.76 116.88 2wu9 s ALA 433 Ca 0.02 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.07 2wu9 s ALA 433 Cb -0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 2wu9 s ALA 433 CO 0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 175.76 175.41 2wu9 s ALA 434 N -0.60 0.84 -0.17 0.00 0.00 -0.07 -0.73 121.76 121.03 2wu9 s ALA 434 Ca -0.07 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 2wu9 s ALA 434 Cb -0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2wu9 s ALA 434 CO 0.04 0.17 0.08 0.08 0.00 0.00 0.00 175.76 176.14 2wu9 s VAL 435 N -0.48 4.96 0.12 0.00 1.01 -0.28 -1.74 120.40 123.99 2wu9 s VAL 435 Ca 0.02 0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.12 2wu9 s VAL 435 Cb -0.05 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2wu9 s VAL 435 CO 0.00 0.49 -0.24 -0.36 0.00 0.00 0.00 175.10 174.99 2wu9 s PHE 436 N 0.10 2.05 -0.06 5.22 0.08 0.48 -0.97 117.98 124.87 2wu9 s PHE 436 Ca 0.06 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.73 2wu9 s PHE 436 Cb -0.12 -1.11 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 2wu9 s PHE 436 CO 0.00 0.27 -0.10 -2.00 -0.10 0.00 0.00 175.22 173.30 2wu9 s GLU 437 N -1.98 2.69 0.16 0.44 2.12 0.25 -0.91 118.70 121.48 2wu9 s GLU 437 Ca 0.10 -0.60 -0.32 0.00 0.36 0.00 0.00 54.97 54.51 2wu9 s GLU 437 Cb -0.10 -2.52 -0.10 0.00 0.26 0.00 0.00 34.13 31.67 2wu9 s GLU 437 CO 0.05 0.63 1.59 0.50 -0.54 0.00 0.00 175.26 177.50 2wu9 s ARG 438 N -0.74 4.20 0.67 4.30 3.52 0.56 -0.42 118.95 131.04 2wu9 s ARG 438 Ca 0.11 2.39 -0.11 0.00 -0.13 0.00 0.00 55.73 57.99 2wu9 s ARG 438 Cb -0.11 -3.17 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 2wu9 s ARG 438 CO 0.01 -0.63 1.06 0.20 -0.81 0.00 0.00 175.30 175.13 2wu9 s GLY 439 N 1.23 1.65 0.00 8.12 0.00 -0.43 -4.78 107.32 113.11 2wu9 s GLY 439 Ca 0.71 -0.16 0.16 0.00 0.00 0.00 0.00 44.72 45.43 2wu9 s GLY 439 CO 0.31 0.16 1.24 1.22 0.00 0.00 0.00 173.10 176.04 2wu9 n ASP 440 N -2.94 2.99 -0.26 1.64 10.43 -1.20 -4.64 116.55 122.58 2wu9 n ASP 440 Ca 0.07 -1.88 0.05 0.00 2.57 0.00 0.00 54.79 55.60 2wu9 n ASP 440 Cb 0.55 -0.21 0.19 0.00 1.84 0.00 0.00 41.12 43.49 2wu9 n ASP 440 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 2wu9 h GLY 441 N 3.12 1.19 1.30 0.44 0.00 -1.66 -2.13 103.07 105.33 2wu9 h GLY 441 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2wu9 h GLY 441 CO 0.00 -0.06 0.15 -0.24 0.00 0.00 0.00 176.54 176.39 2wu9 h VAL 442 N 0.51 1.23 -0.20 4.60 3.04 -1.82 -2.07 116.25 121.54 2wu9 h VAL 442 Ca 0.42 -0.82 -0.13 0.00 -1.01 0.00 0.00 66.70 65.16 2wu9 h VAL 442 Cb 0.60 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2wu9 h VAL 442 CO -0.37 0.31 -0.39 0.44 -1.01 0.00 0.00 177.57 176.54 2wu9 h ASP 443 N 0.85 0.69 -0.60 3.17 3.32 -1.74 -1.84 116.42 120.27 2wu9 h ASP 443 Ca 0.19 -0.55 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 2wu9 h ASP 443 Cb 0.29 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2wu9 h ASP 443 CO -0.00 1.11 0.28 -0.33 -1.72 0.00 0.00 179.24 178.57 2wu9 h GLU 444 N 0.29 0.91 -0.15 3.56 5.08 -1.28 -0.80 114.58 122.19 2wu9 h GLU 444 Ca 0.01 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2wu9 h GLU 444 Cb 0.99 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2wu9 h GLU 444 CO 0.09 0.73 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.65 2wu9 h LEU 445 N 0.90 0.34 -0.98 1.33 3.38 -1.34 -2.46 115.31 116.49 2wu9 h LEU 445 Ca 0.22 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 2wu9 h LEU 445 Cb 0.14 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2wu9 h LEU 445 CO -0.02 0.71 0.05 -0.09 0.09 0.00 0.00 178.44 179.17 2wu9 h ARG 446 N -0.02 0.79 -0.65 1.13 2.43 -1.06 -2.80 114.38 114.19 2wu9 h ARG 446 Ca 0.03 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2wu9 h ARG 446 Cb 0.60 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2wu9 h ARG 446 CO 0.03 0.76 0.00 0.09 -1.51 0.00 0.00 179.97 179.34 2wu9 n ASN 447 N -4.24 4.95 0.00 -3.80 3.02 -0.33 -5.10 115.26 109.76 2wu9 n ASN 447 Ca 0.03 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 52.07 2wu9 n ASN 447 Cb 0.27 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 2wu9 n ASN 447 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64