#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wda s THR 5 N 0.00 -0.04 -0.36 2.61 2.01 -0.48 -4.99 115.64 114.39 1wda s THR 5 Ca 0.00 0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 1wda s THR 5 Cb 0.00 -0.37 0.04 0.00 0.01 0.00 0.00 72.50 72.18 1wda s THR 5 CO 0.00 0.06 0.16 -0.22 -0.69 0.00 0.00 174.62 173.92 1wda s LEU 6 N 1.17 4.53 -0.16 4.42 2.96 -1.26 -1.11 118.68 129.24 1wda s LEU 6 Ca -0.09 -1.10 -0.17 0.00 -0.22 0.00 0.00 54.13 52.55 1wda s LEU 6 Cb -0.10 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1wda s LEU 6 CO -0.08 -0.36 0.43 -0.63 -1.32 0.00 0.00 176.35 174.39 1wda s ILE 7 N 1.47 5.20 -0.22 6.68 1.01 -0.75 -4.90 121.20 129.69 1wda s ILE 7 Ca 0.00 0.83 -0.15 0.00 0.00 0.00 0.00 60.65 61.32 1wda s ILE 7 Cb -0.20 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1wda s ILE 7 CO 0.04 0.30 0.38 -0.13 0.00 0.00 0.00 174.94 175.53 1wda s ARG 8 N 0.92 4.14 0.04 2.79 3.00 -1.26 -0.98 118.95 127.59 1wda s ARG 8 Ca 0.22 0.15 0.03 0.00 0.00 0.00 0.00 55.73 56.14 1wda s ARG 8 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 34.95 31.21 1wda s ARG 8 CO 0.08 -0.08 -0.02 0.14 0.00 0.00 0.00 175.30 175.43 1wda s VAL 9 N 1.44 3.98 0.00 3.52 -7.23 -1.02 -4.87 120.40 116.22 1wda s VAL 9 Ca 0.18 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 1wda s VAL 9 Cb -0.15 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 1wda s VAL 9 CO 0.08 0.28 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.22 1wda s THR 10 N -1.15 0.28 0.33 5.32 2.01 -1.26 -4.52 115.64 116.66 1wda s THR 10 Ca 0.21 -0.29 0.08 0.00 0.31 0.00 0.00 61.69 62.01 1wda s THR 10 Cb -0.11 -0.27 0.09 0.00 0.01 0.00 0.00 72.50 72.22 1wda s THR 10 CO 0.13 -0.01 1.79 1.55 -0.69 0.00 0.00 174.62 177.39 1wda h PRO 11 N 5.82 0.24 -0.07 4.92 0.13 -1.83 -3.21 132.00 138.00 1wda h PRO 11 Ca -0.28 -0.09 0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1wda h PRO 11 Cb 1.20 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1wda h PRO 11 CO 0.49 0.52 -0.14 0.93 -0.23 0.00 0.00 178.00 179.57 1wda h GLU 12 N 0.22 -0.19 -5.06 0.86 4.39 -1.90 -3.45 114.58 109.45 1wda h GLU 12 Ca 0.03 0.01 -0.46 0.00 0.34 0.00 0.00 59.36 59.29 1wda h GLU 12 Cb 0.63 0.04 -0.29 0.00 -0.10 0.00 0.00 28.75 29.03 1wda h GLU 12 CO 0.05 -0.12 -0.80 -0.65 -1.16 0.00 0.00 179.01 176.32 1wda s GLN 13 N -6.15 1.03 0.19 2.33 -1.52 -1.21 -5.12 119.66 109.21 1wda s GLN 13 Ca -0.14 -0.44 -0.31 0.00 -1.95 0.00 0.00 55.36 52.52 1wda s GLN 13 Cb 0.09 -0.99 -0.11 0.00 -0.22 0.00 0.00 33.01 31.79 1wda s GLN 13 CO 0.67 0.25 1.59 -1.25 -0.25 0.00 0.00 175.29 176.31 1wda s PRO 14 N -0.24 4.19 0.08 2.91 0.04 -1.26 -4.06 135.00 136.67 1wda s PRO 14 Ca 0.04 2.42 -0.08 0.00 0.04 0.00 0.00 61.00 63.43 1wda s PRO 14 Cb -0.05 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 1wda s PRO 14 CO -0.00 -0.62 0.36 0.95 0.04 0.00 0.00 177.00 177.72 1wda s THR 15 N 0.96 5.17 -0.09 1.26 -4.23 -0.95 -5.01 115.64 112.75 1wda s THR 15 Ca 0.70 0.26 0.03 0.00 -1.18 0.00 0.00 61.69 61.50 1wda s THR 15 Cb -0.45 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 69.76 1wda s THR 15 CO 0.34 0.24 -0.19 -1.00 -0.54 0.00 0.00 174.62 173.46 1wda s HIS 16 N -1.45 2.64 0.02 3.99 3.76 -1.26 -1.70 115.29 121.29 1wda s HIS 16 Ca 0.34 -0.71 -0.15 0.00 -0.15 0.00 0.00 55.06 54.39 1wda s HIS 16 Cb -0.13 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 31.86 1wda s HIS 16 CO 0.19 -0.22 0.33 0.00 -0.85 0.00 0.00 174.74 174.20 1wda s ALA 17 N 0.08 -0.79 -0.11 -1.40 0.00 -0.79 -5.00 121.76 113.75 1wda s ALA 17 Ca -0.08 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 1wda s ALA 17 Cb -0.15 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1wda s ALA 17 CO 0.05 -0.35 0.06 0.08 0.00 0.00 0.00 175.76 175.61 1wda s VAL 18 N -1.98 4.83 -0.21 0.00 1.01 -1.26 -1.84 120.40 120.95 1wda s VAL 18 Ca -0.09 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1wda s VAL 18 Cb -0.03 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.32 1wda s VAL 18 CO 0.00 0.60 -0.12 0.00 0.00 0.00 0.00 175.10 175.59 1wda s VAL 20 N 1.30 4.93 0.27 0.00 1.01 -1.26 -1.22 120.40 125.42 1wda s VAL 20 Ca -0.02 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 1wda s VAL 20 Cb -0.17 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 31.96 1wda s VAL 20 CO -0.08 0.24 1.52 -0.76 0.00 0.00 0.00 175.10 176.02 1wda s LEU 21 N 0.70 4.36 0.00 3.92 1.43 0.15 -2.56 118.68 126.68 1wda s LEU 21 Ca 0.42 2.81 0.00 0.00 -1.03 0.00 0.00 54.13 56.33 1wda s LEU 21 Cb -0.19 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1wda s LEU 21 CO 0.22 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1wda n GLY 22 N 2.24 0.74 3.84 -3.19 0.00 -1.26 -4.77 105.19 102.78 1wda n GLY 22 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1wda n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wda s THR 23 N -2.28 4.54 -0.32 2.61 2.01 -1.06 -5.06 115.64 116.08 1wda s THR 23 Ca 0.00 -1.34 -0.17 0.00 0.31 0.00 0.00 61.69 60.49 1wda s THR 23 Cb 0.00 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1wda s THR 23 CO 0.00 -0.33 0.46 -0.22 -0.69 0.00 0.00 174.62 173.84 1wda s LEU 24 N -3.81 4.25 -0.15 4.42 1.98 -1.26 -4.96 118.68 119.15 1wda s LEU 24 Ca 0.33 0.10 -0.03 0.00 -2.89 0.00 0.00 54.13 51.64 1wda s LEU 24 Cb -0.08 -2.53 -0.02 0.00 0.66 0.00 0.00 46.19 44.22 1wda s LEU 24 CO 0.25 -0.37 -0.06 -0.89 -1.89 0.00 0.00 176.35 173.39 1wda s THR 25 N 2.26 3.65 0.33 3.68 2.01 -1.24 -1.38 115.64 124.94 1wda s THR 25 Ca 0.17 -0.44 0.10 0.00 0.31 0.00 0.00 61.69 61.82 1wda s THR 25 Cb -0.16 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.71 1wda s THR 25 CO 0.12 0.50 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.34 1wda s GLN 26 N 0.40 1.76 -0.11 4.92 -1.52 -0.27 -1.16 119.66 123.69 1wda s GLN 26 Ca -0.06 -1.89 0.02 0.00 -1.95 0.00 0.00 55.36 51.48 1wda s GLN 26 Cb -0.15 -1.64 -0.01 0.00 -0.22 0.00 0.00 33.01 30.99 1wda s GLN 26 CO 0.04 0.16 -0.19 -0.51 -0.25 0.00 0.00 175.29 174.53 1wda s LEU 27 N -3.57 2.35 -0.44 2.90 1.02 0.09 -1.81 118.68 119.22 1wda s LEU 27 Ca 0.32 -0.46 -0.22 0.00 0.02 0.00 0.00 54.13 53.78 1wda s LEU 27 Cb 0.02 -1.49 0.02 0.00 0.02 0.00 0.00 46.19 44.76 1wda s LEU 27 CO 0.16 0.17 0.74 -0.62 0.02 0.00 0.00 176.35 176.82 1wda s ASP 28 N 0.32 6.39 -0.19 2.29 2.15 -0.16 -4.43 116.67 123.04 1wda s ASP 28 Ca -0.15 -0.17 0.12 0.00 0.43 0.00 0.00 52.55 52.79 1wda s ASP 28 Cb -0.17 -2.37 -0.23 0.00 -0.30 0.00 0.00 42.92 39.86 1wda s ASP 28 CO 0.07 -0.87 0.08 -0.38 -0.17 0.00 0.00 175.17 173.91 1wda n ILE 29 N 6.04 1.46 0.13 4.11 5.41 -1.26 -2.42 119.36 132.83 1wda n ILE 29 Ca 0.01 -0.77 -0.08 0.00 1.00 0.00 0.00 62.75 62.91 1wda n ILE 29 Cb 0.48 -0.81 -0.04 0.00 -0.71 0.00 0.00 39.64 38.55 1wda n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wda n SER 31 N -5.05 -0.37 -0.90 0.00 7.64 -1.26 -1.67 113.62 112.01 1wda n SER 31 Ca -0.06 1.21 0.06 0.00 1.01 0.00 0.00 58.87 61.08 1wda n SER 31 Cb 0.21 -0.31 0.24 0.00 -1.01 0.00 0.00 64.21 63.33 1wda n SER 31 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wda n SER 32 N -5.07 3.50 -4.73 6.43 7.64 -1.26 -5.02 113.62 115.11 1wda n SER 32 Ca 0.09 -3.18 -0.30 0.00 1.01 0.00 0.00 58.87 56.49 1wda n SER 32 Cb 0.31 -0.56 0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1wda n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wda s ALA 33 N -2.92 1.71 0.38 -0.43 0.00 -0.67 -4.38 121.76 115.45 1wda s ALA 33 Ca 0.42 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.47 1wda s ALA 33 Cb 0.35 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 1wda s ALA 33 CO 0.07 -2.22 0.53 -1.25 0.00 0.00 0.00 175.76 172.89 1wda s PRO 34 N -4.92 2.99 0.04 0.00 0.04 -1.26 -5.04 135.00 126.85 1wda s PRO 34 Ca 0.63 -1.03 -0.03 0.00 0.04 0.00 0.00 61.00 60.60 1wda s PRO 34 Cb -0.18 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1wda s PRO 34 CO 0.57 -0.11 0.04 -1.21 0.04 0.00 0.00 177.00 176.33 1wda s GLU 35 N -4.29 0.53 0.00 4.56 2.02 -1.26 -5.06 118.70 115.20 1wda s GLU 35 Ca 0.49 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.65 1wda s GLU 35 Cb -0.10 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.33 1wda s GLU 35 CO 0.33 -0.12 0.00 0.25 0.02 0.00 0.00 175.26 175.74 1wda n THR 38 N 0.80 0.00 -4.09 3.63 -2.24 -1.26 -5.08 114.28 106.04 1wda n THR 38 Ca -0.19 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 1wda n THR 38 Cb 0.58 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 1wda n THR 38 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wda s SER 39 N -4.00 0.29 0.03 3.42 0.01 -0.90 -2.46 113.70 110.09 1wda s SER 39 Ca 0.00 -1.08 -0.25 0.00 1.31 0.00 0.00 55.95 55.93 1wda s SER 39 Cb 0.00 0.30 0.06 0.00 0.21 0.00 0.00 66.02 66.59 1wda s SER 39 CO 0.00 -0.73 0.59 0.72 0.41 0.00 0.00 173.24 174.23 1wda s PHE 40 N -4.00 -0.53 0.07 2.43 -0.12 -0.19 -1.78 117.98 113.87 1wda s PHE 40 Ca 0.18 0.68 0.03 0.00 -0.05 0.00 0.00 56.93 57.78 1wda s PHE 40 Cb 0.07 0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 1wda s PHE 40 CO -0.02 -0.66 -0.10 0.45 -0.05 0.00 0.00 175.22 174.84 1wda s SER 41 N -1.81 1.28 -0.01 1.98 0.15 0.31 -2.38 113.70 113.23 1wda s SER 41 Ca -0.07 -0.68 0.08 0.00 0.70 0.00 0.00 55.95 55.99 1wda s SER 41 Cb -0.01 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.29 1wda s SER 41 CO 0.01 -0.21 -0.25 -0.63 1.20 0.00 0.00 173.24 173.36 1wda s ILE 42 N -1.83 1.99 -0.05 6.45 1.01 -1.26 -0.60 121.20 126.91 1wda s ILE 42 Ca -0.02 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 1wda s ILE 42 Cb -0.07 -1.66 0.03 0.00 0.01 0.00 0.00 42.46 40.77 1wda s ILE 42 CO 0.00 0.51 0.04 0.21 0.00 0.00 0.00 174.94 175.71 1wda s ASN 43 N -0.71 1.09 0.13 3.58 3.84 -0.49 -5.01 114.94 117.37 1wda s ASN 43 Ca 0.10 0.02 0.08 0.00 0.21 0.00 0.00 52.86 53.27 1wda s ASN 43 Cb -0.10 -0.22 -0.04 0.00 -0.55 0.00 0.00 41.25 40.35 1wda s ASN 43 CO -0.00 -0.21 -0.19 0.00 -2.79 0.00 0.00 177.10 173.91 1wda s ALA 44 N 1.91 1.86 0.82 1.71 0.00 -1.26 -0.48 121.76 126.32 1wda s ALA 44 Ca 0.02 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.49 1wda s ALA 44 Cb -0.12 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 22.86 1wda s ALA 44 CO -0.03 0.28 0.97 -1.13 0.00 0.00 0.00 175.76 175.84 1wda n SER 45 N 0.66 0.18 -0.04 0.00 3.41 -0.48 -4.89 113.62 112.47 1wda n SER 45 Ca -0.16 0.55 0.23 0.00 -0.26 0.00 0.00 58.87 59.22 1wda n SER 45 Cb 0.55 -1.41 0.71 0.00 -0.26 0.00 0.00 64.21 63.80 1wda n SER 45 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1wda h PRO 46 N -0.94 0.00 -0.53 4.33 0.11 -1.96 -2.51 132.00 130.50 1wda h PRO 46 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wda h PRO 46 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1wda h PRO 46 CO 0.43 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.63 1wda n GLY 47 N -1.64 0.89 2.91 -0.55 0.00 -1.26 -4.78 105.19 100.77 1wda n GLY 47 Ca 0.12 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1wda n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wda s VAL 48 N -1.61 1.22 -0.42 1.61 1.01 -0.95 -2.68 120.40 118.58 1wda s VAL 48 Ca 0.14 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 1wda s VAL 48 Cb 0.09 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1wda s VAL 48 CO 0.07 0.15 0.52 -0.69 0.00 0.00 0.00 175.10 175.15 1wda s VAL 49 N 1.59 4.99 -0.82 2.92 1.01 0.18 -4.83 120.40 125.44 1wda s VAL 49 Ca 0.01 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 1wda s VAL 49 Cb -0.15 -4.09 0.17 0.00 0.00 0.00 0.00 36.38 32.31 1wda s VAL 49 CO -0.08 -0.46 0.88 -0.69 0.00 0.00 0.00 175.10 174.75 1wda s VAL 50 N 2.41 5.15 0.28 2.92 1.01 -1.26 -1.98 120.40 128.93 1wda s VAL 50 Ca 0.16 -1.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.16 1wda s VAL 50 Cb -0.16 -4.58 -0.07 0.00 0.00 0.00 0.00 36.38 31.57 1wda s VAL 50 CO 0.15 -1.22 0.63 -0.62 0.00 0.00 0.00 175.10 174.05 1wda s ASP 51 N 2.97 6.64 0.00 3.32 2.15 -0.96 -4.96 116.67 125.82 1wda s ASP 51 Ca 0.22 1.03 0.00 0.00 0.43 0.00 0.00 52.55 54.23 1wda s ASP 51 Cb -0.11 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1wda s ASP 51 CO -0.06 -0.16 0.00 0.00 -0.17 0.00 0.00 175.17 174.78 1wda n ILE 52 N -0.41 0.00 -0.52 4.11 3.06 -1.26 -2.12 119.36 122.22 1wda n ILE 52 Ca 0.01 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.25 1wda n ILE 52 Cb 0.53 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.70 1wda n ILE 52 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1wda n THR 67 N 0.00 0.00 -4.64 9.51 -2.24 -1.22 -4.72 114.28 110.96 1wda n THR 67 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1wda n THR 67 Cb 0.00 -0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 67.63 1wda n THR 67 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1wda s TRP 68 N -0.59 1.29 0.36 4.78 0.52 -1.00 -5.03 118.94 119.27 1wda s TRP 68 Ca 0.00 -0.28 -0.25 0.00 0.02 0.00 0.00 56.10 55.60 1wda s TRP 68 Cb 0.00 -0.85 -0.10 0.00 -1.15 0.00 0.00 33.47 31.38 1wda s TRP 68 CO 0.00 -0.05 1.00 -1.25 0.02 0.00 0.00 176.95 176.66 1wda s PRO 69 N -0.20 4.37 -1.32 4.98 0.04 -1.26 -1.02 135.00 140.59 1wda s PRO 69 Ca 0.03 1.41 -0.07 0.00 0.04 0.00 0.00 61.00 62.42 1wda s PRO 69 Cb -0.07 -2.65 0.12 0.00 0.04 0.00 0.00 34.50 31.94 1wda s PRO 69 CO -0.00 0.07 2.28 -0.11 0.04 0.00 0.00 177.00 179.27 1wda n LEU 70 N 0.21 7.72 -4.60 -3.56 0.00 -1.03 -4.82 117.00 110.93 1wda n LEU 70 Ca 0.04 -4.81 -0.34 0.00 0.00 0.00 0.00 56.01 50.90 1wda n LEU 70 Cb 0.50 -1.40 -0.11 0.00 0.00 0.00 0.00 43.42 42.41 1wda n LEU 70 CO 0.44 1.88 -0.37 -0.62 0.00 0.00 0.00 177.39 178.73 1wda s ASP 71 N 0.57 4.76 0.49 1.96 2.15 -1.26 -4.39 116.67 120.95 1wda s ASP 71 Ca 0.51 0.00 0.19 0.00 0.43 0.00 0.00 52.55 53.68 1wda s ASP 71 Cb 0.16 -1.22 1.23 0.00 -0.30 0.00 0.00 42.92 42.79 1wda s ASP 71 CO -0.07 0.36 2.02 -0.65 -0.17 0.00 0.00 175.17 176.66 1wda h PRO 72 N 5.18 0.15 0.00 4.34 0.11 -1.99 -2.97 132.00 136.82 1wda h PRO 72 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1wda h PRO 72 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1wda h PRO 72 CO 0.53 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.83 1wda n GLY 73 N -1.58 -0.89 3.64 -0.55 0.00 -1.26 -4.71 105.19 99.84 1wda n GLY 73 Ca 0.07 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1wda n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wda s VAL 74 N -2.48 4.73 -0.25 1.61 0.11 -1.13 -5.02 120.40 117.97 1wda s VAL 74 Ca 0.21 1.62 -0.26 0.00 -2.93 0.00 0.00 61.98 60.62 1wda s VAL 74 Cb 0.13 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 1wda s VAL 74 CO 0.29 -0.21 0.92 -1.61 -3.33 0.00 0.00 175.10 171.16 1wda s GLU 75 N 3.09 4.18 -0.24 1.54 2.02 -1.26 -5.00 118.70 123.02 1wda s GLU 75 Ca 0.38 1.06 -0.06 0.00 0.02 0.00 0.00 54.97 56.38 1wda s GLU 75 Cb -0.14 -3.66 -0.02 0.00 0.10 0.00 0.00 34.13 30.41 1wda s GLU 75 CO 0.09 -0.61 0.02 0.08 0.02 0.00 0.00 175.26 174.87 1wda s VAL 76 N 3.05 3.85 -0.09 2.63 1.01 -1.26 -4.47 120.40 125.12 1wda s VAL 76 Ca 0.39 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1wda s VAL 76 Cb -0.15 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1wda s VAL 76 CO 0.08 0.36 -0.23 0.28 0.00 0.00 0.00 175.10 175.59 1wda s THR 77 N 1.54 1.97 -0.14 3.92 -1.32 -0.90 -0.73 115.64 119.99 1wda s THR 77 Ca 0.06 -0.98 -0.02 0.00 -1.21 0.00 0.00 61.69 59.54 1wda s THR 77 Cb -0.15 -1.70 -0.02 0.00 -1.51 0.00 0.00 72.50 69.12 1wda s THR 77 CO 0.00 0.54 -0.06 -0.76 -2.21 0.00 0.00 174.62 172.13 1wda s LEU 78 N 0.27 3.12 0.05 9.08 1.43 -0.31 -2.28 118.68 130.04 1wda s LEU 78 Ca -0.16 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1wda s LEU 78 Cb -0.17 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1wda s LEU 78 CO 0.07 0.20 -0.17 0.28 0.23 0.00 0.00 176.35 176.96 1wda s THR 79 N 0.20 1.34 -0.03 5.49 -1.32 -0.84 -3.73 115.64 116.75 1wda s THR 79 Ca -0.04 -1.12 0.05 0.00 -1.21 0.00 0.00 61.69 59.37 1wda s THR 79 Cb -0.14 -1.20 -0.03 0.00 -1.51 0.00 0.00 72.50 69.63 1wda s THR 79 CO 0.03 0.06 -0.16 -0.04 -2.21 0.00 0.00 174.62 172.30 1wda s MET 80 N -1.23 2.38 -0.05 7.08 -1.94 -1.26 -0.65 119.30 123.63 1wda s MET 80 Ca 0.04 -0.78 -0.23 0.00 -1.71 0.00 0.00 55.69 53.01 1wda s MET 80 Cb -0.08 -2.30 -0.28 0.00 2.01 0.00 0.00 34.83 34.17 1wda s MET 80 CO 0.02 0.60 0.94 0.87 -0.01 0.00 0.00 175.02 177.43 1wda h LYS 81 N 5.19 0.27 -4.58 2.03 1.57 -1.91 -3.46 116.57 115.68 1wda h LYS 81 Ca -0.46 -0.39 -0.23 0.00 -1.87 0.00 0.00 60.65 57.70 1wda h LYS 81 Cb 1.15 0.14 -0.15 0.00 0.08 0.00 0.00 32.23 33.45 1wda h LYS 81 CO 0.49 1.14 -0.65 0.00 -0.57 0.00 0.00 179.45 179.87 1wda s ALA 82 N -2.65 1.07 0.97 3.86 0.00 -1.26 -5.12 121.76 118.64 1wda s ALA 82 Ca -0.14 -1.54 -0.12 0.00 0.00 0.00 0.00 51.96 50.16 1wda s ALA 82 Cb 0.01 0.78 0.12 0.00 0.00 0.00 0.00 23.12 24.02 1wda s ALA 82 CO 0.80 -0.43 0.76 0.00 0.00 0.00 0.00 175.76 176.89 1wda n ALA 83 N -0.16 -1.97 -2.60 0.00 0.00 -1.26 -4.77 120.51 109.74 1wda n ALA 83 Ca -0.05 -0.69 -0.37 0.00 0.00 0.00 0.00 53.44 52.32 1wda n ALA 83 Cb 0.64 -1.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 1wda n ALA 83 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wda s SER 84 N -2.31 6.69 0.14 0.00 0.01 0.14 -4.90 113.70 113.46 1wda s SER 84 Ca 0.62 0.83 0.07 0.00 1.31 0.00 0.00 55.95 58.78 1wda s SER 84 Cb -0.22 -2.20 -0.15 0.00 0.21 0.00 0.00 66.02 63.66 1wda s SER 84 CO 0.63 0.32 1.31 1.23 0.41 0.00 0.00 173.24 177.15 1wda h GLY 85 N 4.63 0.01 -3.08 3.44 0.00 -1.91 -3.09 103.07 103.07 1wda h GLY 85 Ca -0.52 -0.03 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 1wda h GLY 85 CO 0.61 0.02 -0.39 -0.56 0.00 0.00 0.00 176.54 176.23 1wda s SER 86 N -6.74 0.13 0.25 0.19 0.01 -1.26 -4.38 113.70 101.90 1wda s SER 86 Ca 0.01 -0.73 -0.31 0.00 1.31 0.00 0.00 55.95 56.23 1wda s SER 86 Cb 0.10 0.35 -0.13 0.00 0.21 0.00 0.00 66.02 66.55 1wda s SER 86 CO 0.82 -0.75 1.39 0.41 0.41 0.00 0.00 173.24 175.51 1wda n THR 87 N -0.08 1.04 -1.96 1.44 -1.04 -1.26 -2.44 114.28 109.98 1wda n THR 87 Ca -0.13 -0.26 -0.21 0.00 -2.04 0.00 0.00 64.05 61.41 1wda n THR 87 Cb 0.62 -1.47 -0.05 0.00 -1.82 0.00 0.00 70.33 67.62 1wda n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wda n GLY 88 N 2.04 0.88 0.00 3.41 0.00 -1.19 -4.85 105.19 105.48 1wda n GLY 88 Ca 0.11 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1wda n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wda n ASP 89 N -1.64 0.00 -4.64 1.61 3.85 -1.02 -4.54 116.55 110.16 1wda n ASP 89 Ca -0.23 0.42 -0.31 0.00 -0.71 0.00 0.00 54.79 53.97 1wda n ASP 89 Cb 0.69 -0.47 -0.09 0.00 -1.35 0.00 0.00 41.12 39.89 1wda n ASP 89 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1wda s GLN 90 N -2.94 2.52 0.08 0.11 -1.52 -1.14 -5.03 119.66 111.74 1wda s GLN 90 Ca 0.13 -0.80 0.04 0.00 -1.95 0.00 0.00 55.36 52.78 1wda s GLN 90 Cb 0.16 -2.51 -0.03 0.00 -0.22 0.00 0.00 33.01 30.40 1wda s GLN 90 CO 0.43 0.57 -0.10 0.15 -0.25 0.00 0.00 175.29 176.08 1wda s LYS 91 N -1.92 0.79 -0.04 2.91 1.02 -1.26 -1.47 119.74 119.77 1wda s LYS 91 Ca 0.22 -1.07 0.02 0.00 0.02 0.00 0.00 55.97 55.15 1wda s LYS 91 Cb -0.11 -0.53 0.01 0.00 -0.52 0.00 0.00 37.83 36.68 1wda s LYS 91 CO 0.13 0.09 -0.06 0.08 -0.92 0.00 0.00 175.35 174.67 1wda s VAL 92 N -2.14 0.62 -0.17 3.17 1.01 0.03 -1.38 120.40 121.54 1wda s VAL 92 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1wda s VAL 92 Cb -0.05 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.76 1wda s VAL 92 CO 0.00 0.22 -0.15 -1.58 0.00 0.00 0.00 175.10 173.60 1wda s GLN 93 N 0.58 2.42 -0.30 2.72 0.74 0.37 -1.10 119.66 125.08 1wda s GLN 93 Ca -0.08 -0.70 -0.09 0.00 0.05 0.00 0.00 55.36 54.54 1wda s GLN 93 Cb -0.12 -2.30 -0.00 0.00 1.10 0.00 0.00 33.01 31.69 1wda s GLN 93 CO 0.01 -0.27 0.13 0.42 -0.55 0.00 0.00 175.29 175.02 1wda s ILE 94 N 1.41 4.40 -0.25 -2.34 1.09 -0.65 -1.40 121.20 123.47 1wda s ILE 94 Ca 0.03 -0.50 -0.15 0.00 -1.10 0.00 0.00 60.65 58.93 1wda s ILE 94 Cb -0.14 -3.25 -0.04 0.00 -1.06 0.00 0.00 42.46 37.98 1wda s ILE 94 CO -0.11 0.08 0.38 -0.44 -0.10 0.00 0.00 174.94 174.75 1wda s SER 95 N 1.58 6.31 -0.21 3.58 0.01 0.23 -0.95 113.70 124.25 1wda s SER 95 Ca 0.04 0.36 -0.13 0.00 1.31 0.00 0.00 55.95 57.53 1wda s SER 95 Cb -0.17 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1wda s SER 95 CO 0.05 -0.14 0.28 -0.31 0.41 0.00 0.00 173.24 173.53 1wda s TYR 96 N 1.81 3.36 0.33 2.43 2.02 -0.39 -0.53 117.35 126.38 1wda s TYR 96 Ca 0.16 0.46 0.06 0.00 -0.37 0.00 0.00 57.07 57.38 1wda s TYR 96 Cb -0.15 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 38.99 1wda s TYR 96 CO 0.09 0.06 0.22 2.48 -1.57 0.00 0.00 175.55 176.84 1wda n TYR 97 N 4.25 -0.47 0.00 2.71 4.11 -0.73 -2.22 117.16 124.81 1wda n TYR 97 Ca -0.12 -2.56 0.00 0.00 -0.00 0.00 0.00 57.90 55.23 1wda n TYR 97 Cb 0.52 0.19 0.00 0.00 -0.00 0.00 0.00 39.34 40.04 1wda n TYR 97 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1wda n GLY 98 N -0.60 -0.78 0.08 -7.48 0.00 -1.25 -2.11 105.19 93.04 1wda n GLY 98 Ca 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1wda n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wda h PRO 99 N 0.00 -0.00 -0.25 1.61 0.13 -2.00 -3.29 132.00 128.20 1wda h PRO 99 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 1wda h PRO 99 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 1wda h PRO 99 CO 0.00 -0.00 -1.03 1.63 -0.23 0.00 0.00 178.00 178.37 1wda n LYS 100 N -3.44 1.15 -3.89 0.86 5.02 -1.26 -5.06 118.16 111.53 1wda n LYS 100 Ca 0.00 -2.93 -0.35 0.00 -2.02 0.00 0.00 58.31 53.02 1wda n LYS 100 Cb 0.05 -1.00 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 1wda n LYS 100 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1wda s THR 101 N -2.27 3.35 0.37 -0.18 -4.23 -1.24 -5.10 115.64 106.33 1wda s THR 101 Ca 0.32 -0.70 -0.28 0.00 -1.18 0.00 0.00 61.69 59.85 1wda s THR 101 Cb 0.36 -2.63 -0.11 0.00 1.34 0.00 0.00 72.50 71.46 1wda s THR 101 CO -0.09 0.28 1.38 -2.65 -0.54 0.00 0.00 174.62 173.00 1wda n PRO 102 N 4.77 2.36 -1.60 3.99 -0.02 -1.26 -3.88 135.00 139.37 1wda n PRO 102 Ca -0.17 0.83 -0.50 0.00 -2.02 0.00 0.00 63.50 61.64 1wda n PRO 102 Cb 0.49 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.43 1wda n PRO 102 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1wda n PRO 103 N 0.45 1.29 -3.72 0.52 -0.02 -1.26 -4.95 135.00 127.32 1wda n PRO 103 Ca 0.03 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 1wda n PRO 103 Cb 0.38 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.66 1wda n PRO 103 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wda s VAL 104 N 0.36 4.92 -0.11 -1.45 1.01 -0.94 -4.97 120.40 119.22 1wda s VAL 104 Ca 0.81 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.75 1wda s VAL 104 Cb -0.89 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1wda s VAL 104 CO 0.47 0.33 0.14 -0.54 0.00 0.00 0.00 175.10 175.49 1wda s LYS 105 N 1.40 3.42 -0.07 2.72 1.02 -1.26 -1.26 119.74 125.70 1wda s LYS 105 Ca 0.06 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 55.92 1wda s LYS 105 Cb -0.15 -3.17 -0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1wda s LYS 105 CO 0.06 0.77 -0.14 0.00 -0.92 0.00 0.00 175.35 175.13 1wda s ALA 106 N -1.04 2.67 -0.01 5.17 0.00 -0.12 -4.66 121.76 123.76 1wda s ALA 106 Ca 0.16 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 1wda s ALA 106 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1wda s ALA 106 CO 0.05 0.46 0.10 -0.51 0.00 0.00 0.00 175.76 175.86 1wda s LEU 107 N -0.41 3.98 -0.14 0.00 1.02 -1.26 -1.64 118.68 120.23 1wda s LEU 107 Ca 0.05 0.19 -0.04 0.00 0.02 0.00 0.00 54.13 54.35 1wda s LEU 107 Cb -0.12 -2.31 0.05 0.00 0.02 0.00 0.00 46.19 43.83 1wda s LEU 107 CO 0.02 0.28 0.07 -0.22 0.02 0.00 0.00 176.35 176.51 1wda s LEU 108 N -1.72 0.48 -0.27 1.79 2.96 -0.26 -2.24 118.68 119.43 1wda s LEU 108 Ca 0.23 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.55 1wda s LEU 108 Cb -0.12 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 1wda s LEU 108 CO 0.14 -0.31 0.29 -0.31 -1.32 0.00 0.00 176.35 174.85 1wda s TYR 109 N 2.08 3.24 0.03 5.38 1.51 -0.69 -0.79 117.35 128.11 1wda s TYR 109 Ca 0.02 0.29 0.02 0.00 -1.01 0.00 0.00 57.07 56.39 1wda s TYR 109 Cb -0.15 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 1wda s TYR 109 CO -0.07 -0.19 0.04 -0.51 -1.11 0.00 0.00 175.55 173.71 1wda s LEU 110 N 1.90 3.70 -0.15 -1.29 1.02 -0.55 -1.89 118.68 121.42 1wda s LEU 110 Ca 0.12 0.02 -0.00 0.00 0.02 0.00 0.00 54.13 54.28 1wda s LEU 110 Cb -0.16 -2.23 0.03 0.00 0.02 0.00 0.00 46.19 43.86 1wda s LEU 110 CO 0.10 0.24 -0.08 -0.89 0.02 0.00 0.00 176.35 175.75 1wda s THR 111 N -1.22 1.21 -0.01 5.49 2.01 -0.76 -2.88 115.64 119.47 1wda s THR 111 Ca 0.24 -0.58 -0.16 0.00 0.31 0.00 0.00 61.69 61.50 1wda s THR 111 Cb -0.12 -1.29 -0.06 0.00 0.01 0.00 0.00 72.50 71.04 1wda s THR 111 CO 0.15 0.24 0.43 0.00 -0.69 0.00 0.00 174.62 174.75 1wda s ALA 112 N 1.61 3.66 0.06 7.40 0.00 -1.26 -0.81 121.76 132.41 1wda s ALA 112 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1wda s ALA 112 Cb -0.14 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1wda s ALA 112 CO -0.08 0.40 -0.06 0.14 0.00 0.00 0.00 175.76 176.16 1wda s VAL 113 N -0.83 0.47 -0.25 0.00 -7.23 -0.36 -0.68 120.40 111.52 1wda s VAL 113 Ca 0.24 -1.39 -0.12 0.00 -1.81 0.00 0.00 61.98 58.90 1wda s VAL 113 Cb -0.17 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 1wda s VAL 113 CO 0.13 -0.62 0.23 -0.70 -0.31 0.00 0.00 175.10 173.84 1wda s GLU 114 N -2.50 4.03 -0.36 4.82 2.12 -0.42 -0.67 118.70 125.71 1wda s GLU 114 Ca -0.03 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.13 1wda s GLU 114 Cb -0.03 -3.60 0.11 0.00 0.26 0.00 0.00 34.13 30.87 1wda s GLU 114 CO -0.03 -0.09 0.15 0.42 -0.54 0.00 0.00 175.26 175.17 1wda s ILE 115 N 1.50 1.05 -0.23 -3.70 -1.09 -1.25 -1.86 121.20 115.62 1wda s ILE 115 Ca 0.10 -1.84 0.02 0.00 -2.23 0.00 0.00 60.65 56.70 1wda s ILE 115 Cb -0.15 -1.77 0.04 0.00 -1.58 0.00 0.00 42.46 39.00 1wda s ILE 115 CO 0.08 -0.77 -0.14 -0.94 -1.23 0.00 0.00 174.94 171.95 1wda s SER 116 N 1.14 3.98 -0.32 3.58 1.04 -0.64 -4.98 113.70 117.49 1wda s SER 116 Ca 0.13 -1.10 -0.25 0.00 0.48 0.00 0.00 55.95 55.21 1wda s SER 116 Cb -0.20 -1.53 0.01 0.00 0.10 0.00 0.00 66.02 64.39 1wda s SER 116 CO -0.14 -0.12 0.86 -0.22 0.98 0.00 0.00 173.24 174.60 1wda s LEU 117 N 1.18 4.05 0.02 2.42 0.20 -1.26 -1.51 118.68 123.78 1wda s LEU 117 Ca -0.03 0.73 0.09 0.00 0.69 0.00 0.00 54.13 55.60 1wda s LEU 117 Cb -0.17 -3.19 -0.03 0.00 -0.43 0.00 0.00 46.19 42.37 1wda s LEU 117 CO -0.08 -0.70 -0.26 0.00 -0.29 0.00 0.00 176.35 175.03 1wda n ALA 119 N 2.02 0.13 -2.56 0.00 0.00 -1.26 -1.03 120.51 117.81 1wda n ALA 119 Ca -0.17 -1.56 -0.43 0.00 0.00 0.00 0.00 53.44 51.29 1wda n ALA 119 Cb 0.52 1.26 0.00 0.00 0.00 0.00 0.00 19.45 21.23 1wda n ALA 119 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wda n ASP 120 N -1.76 5.18 0.04 0.00 4.64 -1.26 -4.78 116.55 118.61 1wda n ASP 120 Ca 0.03 -3.08 0.13 0.00 -1.38 0.00 0.00 54.79 50.49 1wda n ASP 120 Cb 0.52 -1.50 0.41 0.00 -1.04 0.00 0.00 41.12 39.51 1wda n ASP 120 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1wda n ILE 121 N 3.65 0.24 1.18 5.18 -5.35 -1.26 -2.39 119.36 120.61 1wda n ILE 121 Ca 0.38 -0.13 0.13 0.00 -0.27 0.00 0.00 62.75 62.85 1wda n ILE 121 Cb 0.38 -0.33 0.24 0.00 -1.74 0.00 0.00 39.64 38.20 1wda n ILE 121 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1wda n THR 122 N -1.83 0.00 -3.31 7.28 -2.24 -1.26 -1.03 114.28 111.88 1wda n THR 122 Ca 0.06 -0.32 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 1wda n THR 122 Cb 0.38 0.99 0.08 0.00 -2.10 0.00 0.00 70.33 69.69 1wda n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wda n ARG 123 N 0.41 -6.00 -0.01 -0.78 1.74 -1.00 -4.94 116.66 106.08 1wda n ARG 123 Ca 0.14 0.78 0.01 0.00 -0.77 0.00 0.00 57.85 58.01 1wda n ARG 123 Cb 0.46 -5.60 0.01 0.00 -1.02 0.00 0.00 32.46 26.32 1wda n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wda n THR 124 N -3.86 0.37 -0.95 0.55 -2.24 -1.26 -4.80 114.28 102.09 1wda n THR 124 Ca -0.26 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1wda n THR 124 Cb 0.66 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1wda n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wda n GLY 125 N -0.05 0.61 1.13 3.38 0.00 -1.26 -4.99 105.19 104.01 1wda n GLY 125 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1wda n GLY 125 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wda n LYS 126 N -2.76 -3.21 0.00 1.61 4.81 -1.26 -5.03 118.16 112.32 1wda n LYS 126 Ca 0.00 2.35 0.00 0.00 -0.87 0.00 0.00 58.31 59.79 1wda n LYS 126 Cb 0.00 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.43 1wda n LYS 126 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1wda n GLN 136 N -0.37 0.00 -0.18 1.64 0.00 -1.26 -5.13 117.38 112.08 1wda n GLN 136 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1wda n GLN 136 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1wda n GLN 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1wda n ARG 137 N 0.00 0.93 -4.52 3.69 1.74 -1.26 -4.73 116.66 112.52 1wda n ARG 137 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1wda n ARG 137 Cb 0.00 -1.03 -0.15 0.00 -1.02 0.00 0.00 32.46 30.26 1wda n ARG 137 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wda s THR 138 N 0.09 0.93 -0.23 0.55 2.01 -1.26 -4.86 115.64 112.87 1wda s THR 138 Ca 0.00 -0.49 -0.17 0.00 0.31 0.00 0.00 61.69 61.34 1wda s THR 138 Cb 0.00 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1wda s THR 138 CO 0.00 0.27 0.46 0.86 -0.69 0.00 0.00 174.62 175.51 1wda s TRP 139 N -0.20 3.32 -0.04 4.92 -0.00 -1.26 -4.69 118.94 120.98 1wda s TRP 139 Ca 0.03 0.62 0.06 0.00 -0.00 0.00 0.00 56.10 56.81 1wda s TRP 139 Cb -0.05 -2.63 -0.01 0.00 -0.00 0.00 0.00 33.47 30.78 1wda s TRP 139 CO -0.00 -0.16 -0.24 0.95 -0.00 0.00 0.00 176.95 177.50 1wda s THR 140 N 1.84 1.92 0.55 5.86 -4.23 -0.65 -5.00 115.64 115.92 1wda s THR 140 Ca 0.20 -1.01 -0.18 0.00 -1.18 0.00 0.00 61.69 59.52 1wda s THR 140 Cb -0.15 -1.61 -0.06 0.00 1.34 0.00 0.00 72.50 72.02 1wda s THR 140 CO 0.09 0.54 1.07 0.26 -0.54 0.00 0.00 174.62 176.04 1wda s TRP 141 N -0.28 2.91 0.00 3.99 0.52 -1.26 -3.16 118.94 121.65 1wda s TRP 141 Ca 0.01 1.54 0.00 0.00 0.02 0.00 0.00 56.10 57.67 1wda s TRP 141 Cb -0.12 -3.09 0.00 0.00 -1.15 0.00 0.00 33.47 29.11 1wda s TRP 141 CO 0.02 -1.14 0.00 0.41 0.02 0.00 0.00 176.95 176.26 1wda n GLY 142 N -0.47 2.08 0.29 0.98 0.00 -0.44 -4.17 105.19 103.46 1wda n GLY 142 Ca 0.10 -2.15 0.16 0.00 0.00 0.00 0.00 46.02 44.12 1wda n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wda h PRO 143 N 0.00 0.00 -0.57 1.61 0.11 -1.83 -1.27 132.00 130.06 1wda h PRO 143 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1wda h PRO 143 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1wda h PRO 143 CO 0.00 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 177.84 1wda s GLY 145 N -1.04 1.64 0.15 0.00 0.00 -0.48 -5.08 107.32 102.52 1wda s GLY 145 Ca 0.39 -0.77 0.07 0.00 0.00 0.00 0.00 44.72 44.42 1wda s GLY 145 CO 0.27 -0.35 -0.16 1.20 0.00 0.00 0.00 173.10 174.07 1wda s GLN 146 N -5.34 1.17 0.00 2.90 -0.21 -1.19 -4.89 119.66 112.11 1wda s GLN 146 Ca 0.60 -1.37 0.00 0.00 0.02 0.00 0.00 55.36 54.61 1wda s GLN 146 Cb -0.11 -1.10 0.00 0.00 1.00 0.00 0.00 33.01 32.80 1wda s GLN 146 CO 0.47 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 174.26 1wda n GLY 147 N 0.26 3.63 3.74 3.09 0.00 -0.20 -1.64 105.19 114.07 1wda n GLY 147 Ca -0.13 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 1wda n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wda s ALA 148 N 0.00 2.24 0.07 4.61 0.00 -1.24 -4.74 121.76 122.70 1wda s ALA 148 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.67 1wda s ALA 148 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1wda s ALA 148 CO 0.00 -1.66 0.10 0.42 0.00 0.00 0.00 175.76 174.62 1wda s ILE 149 N -2.23 4.70 -0.03 0.00 1.09 -1.26 -1.53 121.20 121.94 1wda s ILE 149 Ca 0.70 -0.69 0.02 0.00 -1.10 0.00 0.00 60.65 59.58 1wda s ILE 149 Cb -0.24 -3.27 0.01 0.00 -1.06 0.00 0.00 42.46 37.90 1wda s ILE 149 CO 0.45 0.13 -0.06 -0.22 -0.10 0.00 0.00 174.94 175.14 1wda s LEU 150 N -2.40 1.62 0.04 2.97 0.20 -0.34 -4.84 118.68 115.94 1wda s LEU 150 Ca 0.30 -0.14 -0.06 0.00 0.69 0.00 0.00 54.13 54.91 1wda s LEU 150 Cb -0.12 -0.46 -0.05 0.00 -0.43 0.00 0.00 46.19 45.13 1wda s LEU 150 CO 0.23 0.01 0.30 -0.76 -0.29 0.00 0.00 176.35 175.84 1wda s LEU 151 N 0.46 4.35 -0.08 -0.68 1.43 -1.26 -1.08 118.68 121.82 1wda s LEU 151 Ca -0.06 0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 53.32 1wda s LEU 151 Cb -0.10 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 1wda s LEU 151 CO 0.00 0.21 1.17 -0.69 0.23 0.00 0.00 176.35 177.27 1wda s VAL 152 N -1.38 4.35 -1.50 -1.59 1.01 -1.26 -1.71 120.40 118.32 1wda s VAL 152 Ca 0.31 1.66 -0.10 0.00 0.00 0.00 0.00 61.98 63.85 1wda s VAL 152 Cb -0.13 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1wda s VAL 152 CO 0.18 -0.02 2.58 -3.20 0.00 0.00 0.00 175.10 174.64 1wda n ASN 153 N 5.39 7.12 -1.34 3.32 5.15 -0.73 -4.64 115.26 129.53 1wda n ASN 153 Ca 0.11 -2.79 0.11 0.00 -0.60 0.00 0.00 54.58 51.40 1wda n ASN 153 Cb 0.46 -1.54 0.31 0.00 -0.53 0.00 0.00 39.78 38.49 1wda n ASN 153 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wda n ASP 155 N 1.41 0.00 -3.30 0.00 5.75 -1.26 -0.36 116.55 118.78 1wda n ASP 155 Ca 0.23 -0.97 -0.23 0.00 -0.01 0.00 0.00 54.79 53.81 1wda n ASP 155 Cb 0.65 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.65 1wda n ASP 155 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1wda s ARG 156 N -2.10 0.90 0.50 0.11 3.52 -0.92 -1.07 118.95 119.89 1wda s ARG 156 Ca 0.00 -1.88 0.29 0.00 -0.13 0.00 0.00 55.73 54.01 1wda s ARG 156 Cb 0.00 -1.18 0.91 0.00 -1.56 0.00 0.00 34.95 33.11 1wda s ARG 156 CO 0.00 -1.37 1.82 -0.44 -0.81 0.00 0.00 175.30 174.50 1wda h ASP 157 N 5.65 0.00 -2.64 -2.12 3.32 -1.92 -2.19 116.42 116.51 1wda h ASP 157 Ca 0.22 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.74 1wda h ASP 157 Cb 0.95 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.52 1wda h ASP 157 CO 0.31 0.01 1.04 0.21 -1.72 0.00 0.00 179.24 179.09 1wda s ASN 158 N -5.94 6.58 0.00 6.45 3.84 -1.26 -4.89 114.94 119.73 1wda s ASN 158 Ca 0.04 2.50 0.00 0.00 0.21 0.00 0.00 52.86 55.61 1wda s ASN 158 Cb 0.07 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.22 1wda s ASN 158 CO 0.60 -0.92 0.46 0.00 -2.79 0.00 0.00 177.10 174.46 1wda n LEU 159 N 5.90 0.00 -2.32 3.21 -0.00 -1.26 -3.09 117.00 119.44 1wda n LEU 159 Ca 0.16 0.46 -0.27 0.00 -0.00 0.00 0.00 56.01 56.37 1wda n LEU 159 Cb 0.40 -0.18 0.01 0.00 -0.00 0.00 0.00 43.42 43.66 1wda n LEU 159 CO 0.63 -0.18 0.28 -0.62 -0.00 0.00 0.00 177.39 177.50 1wda n GLU 160 N -1.91 3.45 -3.86 1.47 1.02 -1.26 -5.06 120.64 114.50 1wda n GLU 160 Ca 0.00 -4.30 -0.25 0.00 -0.02 0.00 0.00 57.16 52.59 1wda n GLU 160 Cb 0.00 -2.26 -0.02 0.00 -0.02 0.00 0.00 31.44 29.13 1wda n GLU 160 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wda s SER 161 N -3.41 4.68 -0.00 1.62 0.15 -1.18 -5.06 113.70 110.51 1wda s SER 161 Ca 0.50 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1wda s SER 161 Cb 0.41 0.06 -0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1wda s SER 161 CO -0.11 -0.91 0.01 -1.54 1.20 0.00 0.00 173.24 171.89 1wda n SER 162 N -1.63 3.96 -4.88 5.45 3.41 -1.26 -5.07 113.62 113.60 1wda n SER 162 Ca -0.00 -0.10 -0.32 0.00 -0.26 0.00 0.00 58.87 58.18 1wda n SER 162 Cb 0.64 1.01 -0.05 0.00 -0.26 0.00 0.00 64.21 65.55 1wda n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wda s ALA 163 N -1.82 3.63 0.50 7.33 0.00 -1.26 -5.06 121.76 125.09 1wda s ALA 163 Ca -0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 1wda s ALA 163 Cb 0.00 -2.35 -0.07 0.00 0.00 0.00 0.00 23.12 20.70 1wda s ALA 163 CO 0.01 0.55 1.13 -1.33 0.00 0.00 0.00 175.76 176.13 1wda n MET 164 N 0.03 1.42 0.15 0.00 0.00 -1.26 -4.74 117.12 112.72 1wda n MET 164 Ca -0.01 0.52 0.15 0.00 0.00 0.00 0.00 57.70 58.36 1wda n MET 164 Cb 0.52 -2.28 0.70 0.00 0.00 0.00 0.00 33.22 32.17 1wda n MET 164 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1wda h ASP 165 N 1.32 0.00 -0.08 7.83 3.32 -1.18 -2.45 116.42 125.18 1wda h ASP 165 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1wda h ASP 165 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1wda h ASP 165 CO 0.56 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 1wda h GLU 167 N 1.06 0.00 0.00 0.00 4.57 -1.75 -3.46 114.58 114.99 1wda h GLU 167 Ca 0.00 0.00 -0.40 0.00 -1.18 0.00 0.00 59.36 57.78 1wda h GLU 167 Cb 0.23 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 1wda h GLU 167 CO 0.00 0.31 -0.18 -0.40 -1.18 0.00 0.00 179.01 177.56 1wda n ASP 168 N -3.25 2.18 -2.23 1.04 5.68 -1.25 -5.06 116.55 113.66 1wda n ASP 168 Ca 0.02 -2.30 -0.29 0.00 -0.50 0.00 0.00 54.79 51.72 1wda n ASP 168 Cb 0.59 -0.04 0.04 0.00 -1.14 0.00 0.00 41.12 40.56 1wda n ASP 168 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1wda n ASP 169 N -1.93 5.87 -3.99 -1.12 5.68 -1.26 -5.00 116.55 114.81 1wda n ASP 169 Ca -0.01 -3.76 -0.10 0.00 -0.50 0.00 0.00 54.79 50.42 1wda n ASP 169 Cb 0.43 -0.59 -0.11 0.00 -1.14 0.00 0.00 41.12 39.71 1wda n ASP 169 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1wda s GLU 170 N -3.69 0.33 -0.39 0.11 2.02 -1.26 -4.51 118.70 111.31 1wda s GLU 170 Ca 0.55 -0.57 -0.22 0.00 0.02 0.00 0.00 54.97 54.74 1wda s GLU 170 Cb 0.44 -0.00 0.01 0.00 0.10 0.00 0.00 34.13 34.68 1wda s GLU 170 CO -0.03 -0.02 0.73 0.08 0.02 0.00 0.00 175.26 176.04 1wda s VAL 171 N -1.26 4.76 -0.14 2.63 1.01 -1.26 -4.94 120.40 121.20 1wda s VAL 171 Ca -0.13 0.65 0.22 0.00 0.00 0.00 0.00 61.98 62.72 1wda s VAL 171 Cb -0.09 -4.20 -0.15 0.00 0.00 0.00 0.00 36.38 31.94 1wda s VAL 171 CO -0.01 -0.47 0.78 0.18 0.00 0.00 0.00 175.10 175.58 1wda n LEU 172 N 6.37 0.48 -3.88 3.92 4.77 -1.26 -4.93 117.00 122.47 1wda n LEU 172 Ca 0.01 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1wda n LEU 172 Cb 0.48 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1wda n LEU 172 CO 0.53 -0.08 -0.31 -1.81 -1.33 0.00 0.00 177.39 174.40 1wda s ASP 173 N -5.03 0.01 0.40 -1.43 1.01 -1.26 -5.05 116.67 105.32 1wda s ASP 173 Ca -0.04 -0.03 0.09 0.00 0.71 0.00 0.00 52.55 53.28 1wda s ASP 173 Cb 0.11 0.11 0.84 0.00 1.01 0.00 0.00 42.92 44.99 1wda s ASP 173 CO 0.84 -0.09 1.97 0.77 0.21 0.00 0.00 175.17 178.87 1wda h SER 174 N 5.70 0.27 0.79 0.27 4.64 -2.00 -2.38 113.55 120.84 1wda h SER 174 Ca -0.26 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 1wda h SER 174 Cb 1.21 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1wda h SER 174 CO 0.46 0.34 -0.12 1.05 -0.87 0.00 0.00 176.83 177.70 1wda h GLU 175 N 0.29 0.00 -0.85 4.77 9.09 -1.98 -2.80 114.58 123.10 1wda h GLU 175 Ca 0.07 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.52 1wda h GLU 175 Cb 0.24 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.29 1wda h GLU 175 CO 0.01 0.12 0.56 0.22 0.05 0.00 0.00 179.01 179.97 1wda h ASP 176 N 0.00 0.90 -0.24 3.06 3.58 -1.82 -2.49 116.42 119.41 1wda h ASP 176 Ca -0.00 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.51 1wda h ASP 176 Cb 0.55 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1wda h ASP 176 CO 0.02 0.61 0.27 -0.07 -2.88 0.00 0.00 179.24 177.19 1wda h LEU 177 N 1.03 0.00 -1.66 2.28 3.38 -1.62 -1.55 115.31 117.17 1wda h LEU 177 Ca 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 1wda h LEU 177 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1wda h LEU 177 CO -0.11 0.00 -0.12 1.56 0.09 0.00 0.00 178.44 179.86 1wda h GLN 178 N 0.00 0.06 0.00 1.13 4.20 -1.62 -2.10 115.11 116.79 1wda h GLN 178 Ca 0.12 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1wda h GLN 178 Cb 0.66 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1wda h GLN 178 CO -0.00 0.19 0.00 -0.44 -0.67 0.00 0.00 178.83 177.91 1wda h ASP 179 N 0.06 0.00 -2.34 1.46 3.32 -1.44 -3.43 116.42 114.04 1wda h ASP 179 Ca 0.01 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.60 1wda h ASP 179 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1wda h ASP 179 CO 0.02 0.00 -0.31 -0.04 -1.72 0.00 0.00 179.24 177.19 1wda s MET 180 N -3.21 3.35 -0.17 3.56 -1.94 -0.79 -4.51 119.30 115.59 1wda s MET 180 Ca 0.08 -0.66 -0.13 0.00 -1.71 0.00 0.00 55.69 53.26 1wda s MET 180 Cb 0.11 -2.78 -0.05 0.00 2.01 0.00 0.00 34.83 34.12 1wda s MET 180 CO 0.52 0.20 0.28 -1.12 -0.01 0.00 0.00 175.02 174.89 1wda s SER 181 N -4.06 6.40 0.22 3.03 0.01 0.16 -4.82 113.70 114.64 1wda s SER 181 Ca 0.39 0.46 -0.30 0.00 1.31 0.00 0.00 55.95 57.82 1wda s SER 181 Cb -0.09 -2.17 -0.08 0.00 0.21 0.00 0.00 66.02 63.88 1wda s SER 181 CO 0.32 0.09 1.03 -0.22 0.41 0.00 0.00 173.24 174.88 1wda s LEU 182 N 0.54 4.56 -0.03 2.44 2.96 -1.26 -1.09 118.68 126.80 1wda s LEU 182 Ca 0.15 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1wda s LEU 182 Cb -0.13 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.98 1wda s LEU 182 CO 0.03 -0.05 0.01 -0.32 -1.32 0.00 0.00 176.35 174.70 1wda s MET 183 N -0.92 0.24 0.08 1.98 -2.45 -0.40 -4.47 119.30 113.36 1wda s MET 183 Ca 0.45 0.10 0.08 0.00 -1.25 0.00 0.00 55.69 55.07 1wda s MET 183 Cb -0.28 -0.44 -0.04 0.00 1.25 0.00 0.00 34.83 35.32 1wda s MET 183 CO 0.35 -0.15 -0.20 0.95 1.05 0.00 0.00 175.02 177.03 1wda s THR 184 N 1.06 2.69 -0.20 10.11 -4.23 -0.20 0.23 115.64 125.11 1wda s THR 184 Ca -0.09 -1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 1wda s THR 184 Cb -0.13 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 1wda s THR 184 CO -0.02 0.23 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.00 1wda s LEU 185 N -1.75 2.89 -0.27 4.79 0.20 -0.39 -0.29 118.68 123.86 1wda s LEU 185 Ca 0.15 -0.35 -0.02 0.00 0.69 0.00 0.00 54.13 54.60 1wda s LEU 185 Cb -0.10 -1.72 0.03 0.00 -0.43 0.00 0.00 46.19 43.97 1wda s LEU 185 CO 0.07 0.04 -0.02 -0.44 -0.29 0.00 0.00 176.35 175.70 1wda s SER 186 N 1.14 4.63 -0.06 3.68 0.01 -0.57 -1.37 113.70 121.15 1wda s SER 186 Ca 0.02 -1.01 0.04 0.00 1.31 0.00 0.00 55.95 56.31 1wda s SER 186 Cb -0.15 -1.71 -0.02 0.00 0.21 0.00 0.00 66.02 64.36 1wda s SER 186 CO -0.01 -0.19 -0.18 0.42 0.41 0.00 0.00 173.24 173.69 1wda s THR 187 N 1.32 2.69 -0.22 1.44 -4.23 -0.60 -1.63 115.64 114.42 1wda s THR 187 Ca -0.02 -0.84 -0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1wda s THR 187 Cb -0.18 -2.04 0.06 0.00 1.34 0.00 0.00 72.50 71.68 1wda s THR 187 CO -0.02 0.57 -0.03 -0.75 -0.54 0.00 0.00 174.62 173.85 1wda s LYS 188 N -0.37 1.36 0.19 3.99 2.20 -0.78 -0.91 119.74 125.42 1wda s LYS 188 Ca 0.03 -0.78 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1wda s LYS 188 Cb -0.12 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.76 1wda s LYS 188 CO 0.02 -0.59 0.10 0.95 -0.36 0.00 0.00 175.35 175.47 1wda s THR 189 N 1.54 0.14 0.68 3.43 -4.23 -0.55 -1.31 115.64 115.35 1wda s THR 189 Ca -0.04 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.33 1wda s THR 189 Cb -0.18 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1wda s THR 189 CO -0.07 -0.14 1.27 -2.84 -0.54 0.00 0.00 174.62 172.30 1wda s PRO 190 N -4.10 2.35 0.43 3.99 0.02 -1.17 -0.84 135.00 135.68 1wda s PRO 190 Ca 0.34 1.99 0.18 0.00 0.02 0.00 0.00 61.00 63.53 1wda s PRO 190 Cb 0.07 -1.83 1.11 0.00 0.02 0.00 0.00 34.50 33.87 1wda s PRO 190 CO 0.09 -1.73 1.88 0.87 -0.33 0.00 0.00 177.00 177.78 1wda h LYS 191 N 0.21 0.36 -0.62 5.54 1.57 -1.86 -1.58 116.57 120.20 1wda h LYS 191 Ca -0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1wda h LYS 191 Cb 1.33 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1wda h LYS 191 CO 0.52 0.24 0.00 -0.40 -0.57 0.00 0.00 179.45 179.23 1wda n ASP 192 N -4.48 5.32 -0.00 0.86 3.85 -1.26 -3.75 116.55 117.09 1wda n ASP 192 Ca 0.17 -2.76 -0.07 0.00 -0.71 0.00 0.00 54.79 51.42 1wda n ASP 192 Cb 0.66 -0.65 0.10 0.00 -1.35 0.00 0.00 41.12 39.88 1wda n ASP 192 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 1wda h PHE 193 N 3.93 0.66 -0.43 2.11 3.04 -1.65 -3.03 116.94 121.58 1wda h PHE 193 Ca 0.00 -0.20 0.00 0.00 3.98 0.00 0.00 57.97 61.75 1wda h PHE 193 Cb 1.78 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 40.15 1wda h PHE 193 CO 0.97 0.88 0.00 1.19 -2.02 0.00 0.00 178.31 179.34 1wda n PHE 194 N -4.02 0.57 -0.21 0.41 3.01 -1.26 -2.32 117.46 113.65 1wda n PHE 194 Ca -0.02 -0.28 -0.07 0.00 1.01 0.00 0.00 57.45 58.09 1wda n PHE 194 Cb 0.53 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.03 1wda n PHE 194 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1wda h THR 195 N 2.62 1.20 0.00 4.37 2.02 -1.89 -3.36 112.91 117.87 1wda h THR 195 Ca 0.00 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1wda h THR 195 Cb 0.60 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1wda h THR 195 CO 0.00 0.23 0.00 0.59 0.37 0.00 0.00 175.52 176.71 1wda n ASN 196 N -4.55 1.66 -4.18 4.18 5.03 -1.15 -4.92 115.26 111.33 1wda n ASN 196 Ca 0.04 -1.68 -0.14 0.00 0.87 0.00 0.00 54.58 53.66 1wda n ASN 196 Cb 0.11 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.76 1wda n ASN 196 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1wda s HIS 197 N -0.68 1.07 0.00 3.10 3.76 -0.98 -1.17 115.29 120.39 1wda s HIS 197 Ca 0.00 -0.68 -0.05 0.00 -0.15 0.00 0.00 55.06 54.18 1wda s HIS 197 Cb 0.00 -0.58 -0.00 0.00 1.11 0.00 0.00 32.58 33.10 1wda s HIS 197 CO 0.00 0.00 0.09 -0.08 -0.85 0.00 0.00 174.74 173.90 1wda s THR 198 N -2.59 0.08 -0.14 1.30 -1.32 0.41 -4.33 115.64 109.05 1wda s THR 198 Ca 0.07 -0.65 -0.04 0.00 -1.21 0.00 0.00 61.69 59.86 1wda s THR 198 Cb -0.02 -0.34 -0.03 0.00 -1.51 0.00 0.00 72.50 70.60 1wda s THR 198 CO -0.00 -0.36 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.28 1wda s LEU 199 N -1.19 3.42 -0.00 9.08 1.43 -1.26 0.33 118.68 130.49 1wda s LEU 199 Ca -0.13 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1wda s LEU 199 Cb -0.07 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1wda s LEU 199 CO 0.01 0.22 -0.22 0.54 0.23 0.00 0.00 176.35 177.12 1wda s VAL 200 N 0.06 1.77 -0.10 -1.59 0.11 -0.00 -1.37 120.40 119.28 1wda s VAL 200 Ca 0.01 -1.02 -0.00 0.00 -2.93 0.00 0.00 61.98 58.04 1wda s VAL 200 Cb -0.13 -1.48 -0.03 0.00 -1.53 0.00 0.00 36.38 33.21 1wda s VAL 200 CO 0.02 0.44 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.95 1wda s LEU 201 N -0.67 3.14 0.11 2.54 0.20 -0.40 -0.65 118.68 122.95 1wda s LEU 201 Ca 0.09 -0.08 -0.12 0.00 0.69 0.00 0.00 54.13 54.70 1wda s LEU 201 Cb -0.09 -1.71 0.02 0.00 -0.43 0.00 0.00 46.19 43.98 1wda s LEU 201 CO -0.00 0.29 0.30 -1.38 -0.29 0.00 0.00 176.35 175.27 1wda s HIS 202 N -0.40 -0.01 0.06 5.38 -3.43 0.26 -1.18 115.29 115.98 1wda s HIS 202 Ca 0.06 -0.36 0.04 0.00 -0.80 0.00 0.00 55.06 53.99 1wda s HIS 202 Cb -0.12 0.10 -0.03 0.00 -1.43 0.00 0.00 32.58 31.10 1wda s HIS 202 CO 0.02 -0.64 -0.11 0.08 -2.00 0.00 0.00 174.74 172.09 1wda s VAL 203 N -3.84 0.86 0.67 -5.38 1.01 -0.47 -0.95 120.40 112.30 1wda s VAL 203 Ca 0.05 -1.22 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 1wda s VAL 203 Cb 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1wda s VAL 203 CO -0.11 -0.30 1.23 0.00 0.00 0.00 0.00 175.10 175.92 1wda s ALA 204 N -1.36 2.32 0.47 5.51 0.00 -1.26 -4.74 121.76 122.70 1wda s ALA 204 Ca -0.05 0.99 0.29 0.00 0.00 0.00 0.00 51.96 53.19 1wda s ALA 204 Cb -0.10 -3.48 1.60 0.00 0.00 0.00 0.00 23.12 21.14 1wda s ALA 204 CO 0.01 -1.58 2.14 0.00 0.00 0.00 0.00 175.76 176.33 1wda h ARG 205 N 0.27 0.00 0.00 0.00 3.08 -2.00 -2.05 114.38 113.68 1wda h ARG 205 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1wda h ARG 205 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1wda h ARG 205 CO 0.52 0.08 0.00 -1.13 -1.07 0.00 0.00 179.97 178.37 1wda n SER 206 N -3.66 0.74 0.00 7.04 3.41 -1.26 -3.49 113.62 116.40 1wda n SER 206 Ca -0.02 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1wda n SER 206 Cb 0.19 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1wda n SER 206 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wda n GLU 207 N -2.27 5.24 0.25 4.33 1.02 -1.07 -4.78 120.64 123.37 1wda n GLU 207 Ca 0.03 -0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.20 1wda n GLU 207 Cb 0.31 -0.54 0.70 0.00 -0.02 0.00 0.00 31.44 31.90 1wda n GLU 207 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wda h MET 208 N 0.00 0.00 0.00 3.49 -0.00 -1.41 -1.92 114.93 115.09 1wda h MET 208 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1wda h MET 208 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 1wda h MET 208 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.91 176.51 1wda n ASP 209 N -4.37 0.00 -0.34 -0.10 5.75 -1.26 -1.68 116.55 114.55 1wda n ASP 209 Ca -0.02 -0.05 0.05 0.00 -0.01 0.00 0.00 54.79 54.76 1wda n ASP 209 Cb 0.12 -0.28 0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1wda n ASP 209 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1wda n LYS 210 N -1.28 1.08 -4.05 0.11 5.02 -0.72 -4.83 118.16 113.49 1wda n LYS 210 Ca 0.11 -0.91 -0.08 0.00 -2.02 0.00 0.00 58.31 55.42 1wda n LYS 210 Cb 0.18 -1.15 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 1wda n LYS 210 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wda s VAL 211 N -1.04 0.18 -0.03 -0.18 0.11 -1.20 -0.85 120.40 117.40 1wda s VAL 211 Ca 0.10 -1.51 -0.03 0.00 -2.93 0.00 0.00 61.98 57.61 1wda s VAL 211 Cb 0.08 -1.13 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1wda s VAL 211 CO 0.17 -0.83 0.09 -0.60 -3.33 0.00 0.00 175.10 170.60 1wda s ARG 212 N -3.16 0.15 -0.06 1.54 3.52 -0.70 -3.87 118.95 116.37 1wda s ARG 212 Ca -0.00 0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.68 1wda s ARG 212 Cb 0.02 0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.50 1wda s ARG 212 CO -0.07 -0.02 -0.09 0.08 -0.81 0.00 0.00 175.30 174.39 1wda s VAL 213 N -0.12 0.88 0.03 7.11 1.01 -0.04 -1.64 120.40 127.62 1wda s VAL 213 Ca -0.02 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1wda s VAL 213 Cb -0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1wda s VAL 213 CO 0.00 0.30 -0.14 -0.36 0.00 0.00 0.00 175.10 174.90 1wda s PHE 214 N 0.78 2.68 -0.16 5.22 0.40 0.64 -1.56 117.98 125.98 1wda s PHE 214 Ca -0.13 -0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 55.93 1wda s PHE 214 Cb -0.15 -1.52 -0.05 0.00 0.51 0.00 0.00 43.02 41.81 1wda s PHE 214 CO 0.02 0.29 0.14 -1.14 0.70 0.00 0.00 175.22 175.23 1wda s GLN 215 N -1.41 3.85 0.14 0.44 0.74 -0.09 -0.23 119.66 123.10 1wda s GLN 215 Ca 0.15 -0.17 0.07 0.00 0.05 0.00 0.00 55.36 55.47 1wda s GLN 215 Cb -0.11 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 1wda s GLN 215 CO 0.06 0.52 -0.05 0.00 -0.55 0.00 0.00 175.29 175.27 1wda s ALA 216 N -0.28 3.09 -0.10 1.58 0.00 -0.56 -2.27 121.76 123.23 1wda s ALA 216 Ca 0.12 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 1wda s ALA 216 Cb -0.12 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 1wda s ALA 216 CO 0.01 0.57 -0.12 2.41 0.00 0.00 0.00 175.76 178.63 1wda n THR 217 N 0.29 0.58 -4.90 0.00 -1.04 -1.26 -4.37 114.28 103.57 1wda n THR 217 Ca -0.11 -0.17 -0.26 0.00 -2.04 0.00 0.00 64.05 61.47 1wda n THR 217 Cb 0.54 -1.42 -0.16 0.00 -1.82 0.00 0.00 70.33 67.47 1wda n THR 217 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wda s SER 226 N -0.35 -0.32 0.14 0.00 1.04 -0.96 -4.79 113.70 108.46 1wda s SER 226 Ca 0.05 0.37 -0.31 0.00 0.48 0.00 0.00 55.95 56.53 1wda s SER 226 Cb -0.08 0.48 -0.10 0.00 0.10 0.00 0.00 66.02 66.42 1wda s SER 226 CO -0.00 -0.40 1.57 0.68 0.98 0.00 0.00 173.24 176.07 1wda s VAL 227 N -0.93 2.74 -0.08 5.02 -7.23 -1.26 -0.91 120.40 117.74 1wda s VAL 227 Ca -0.10 0.48 0.09 0.00 -1.81 0.00 0.00 61.98 60.64 1wda s VAL 227 Cb -0.04 -3.31 -0.12 0.00 0.56 0.00 0.00 36.38 33.47 1wda s VAL 227 CO 0.04 0.03 0.05 1.33 -0.31 0.00 0.00 175.10 176.25 1wda n VAL 228 N 4.11 0.57 -4.02 1.32 0.24 -0.60 -4.89 118.33 115.06 1wda n VAL 228 Ca 0.14 -0.38 -0.11 0.00 -2.04 0.00 0.00 64.34 61.96 1wda n VAL 228 Cb 0.39 -0.64 -0.11 0.00 -1.47 0.00 0.00 33.84 32.01 1wda n VAL 228 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wda s LEU 229 N -4.58 2.26 0.00 1.34 1.43 -1.05 -4.36 118.68 113.72 1wda s LEU 229 Ca -0.05 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1wda s LEU 229 Cb 0.03 -0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.24 1wda s LEU 229 CO 0.39 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1wda n GLY 230 N 1.45 -1.23 0.67 -3.19 0.00 -0.39 -0.86 105.19 101.64 1wda n GLY 230 Ca -0.23 -0.94 0.48 0.00 0.00 0.00 0.00 46.02 45.33 1wda n GLY 230 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wda h PRO 231 N 0.00 0.00 0.00 1.61 0.11 -1.43 -1.76 132.00 130.53 1wda h PRO 231 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1wda h PRO 231 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 1wda h PRO 231 CO 0.00 0.00 -0.59 1.63 -0.21 0.00 0.00 178.00 178.83 1wda n LYS 232 N -3.94 0.31 -3.78 1.05 4.76 -1.26 -4.49 118.16 110.81 1wda n LYS 232 Ca 0.39 -1.72 -0.29 0.00 -2.87 0.00 0.00 58.31 53.83 1wda n LYS 232 Cb 1.83 -0.58 -0.13 0.00 -1.84 0.00 0.00 35.03 34.31 1wda n LYS 232 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1wda s TRP 233 N -0.67 2.46 -0.83 2.13 0.52 -0.66 -4.98 118.94 116.91 1wda s TRP 233 Ca 0.18 -2.74 0.27 0.00 0.02 0.00 0.00 56.10 53.83 1wda s TRP 233 Cb 0.19 -2.19 0.94 0.00 -1.15 0.00 0.00 33.47 31.26 1wda s TRP 233 CO -0.05 -0.74 1.81 -0.35 0.02 0.00 0.00 176.95 177.63 1wda n PRO 234 N 3.18 0.17 -3.83 4.98 -0.04 -1.26 -1.26 135.00 136.95 1wda n PRO 234 Ca 0.10 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1wda n PRO 234 Cb 0.35 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 32.03 1wda n PRO 234 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wda s SER 235 N -3.95 -0.03 -0.10 3.54 1.04 -1.26 -1.37 113.70 111.58 1wda s SER 235 Ca 0.12 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.28 1wda s SER 235 Cb 0.15 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.58 1wda s SER 235 CO 0.58 -0.49 0.23 -2.28 0.98 0.00 0.00 173.24 172.27 1wda s HIS 236 N -1.98 -0.30 -0.12 5.02 2.46 -0.32 -4.97 115.29 115.08 1wda s HIS 236 Ca -0.10 0.72 -0.29 0.00 0.47 0.00 0.00 55.06 55.86 1wda s HIS 236 Cb -0.04 0.05 -0.01 0.00 -0.13 0.00 0.00 32.58 32.45 1wda s HIS 236 CO -0.01 -0.20 1.01 0.71 -2.47 0.00 0.00 174.74 173.78 1wda s TYR 237 N 0.94 3.49 0.27 3.88 4.12 -1.26 -1.28 117.35 127.52 1wda s TYR 237 Ca -0.07 1.57 -0.19 0.00 0.02 0.00 0.00 57.07 58.40 1wda s TYR 237 Cb -0.08 -3.19 -0.09 0.00 -1.52 0.00 0.00 41.96 37.08 1wda s TYR 237 CO -0.06 -0.25 0.77 -0.51 0.02 0.00 0.00 175.55 175.52 1wda s LEU 238 N 2.13 4.25 -0.42 -1.29 1.43 -0.47 -5.00 118.68 119.30 1wda s LEU 238 Ca 0.48 1.46 -0.10 0.00 -1.03 0.00 0.00 54.13 54.93 1wda s LEU 238 Cb -0.18 -3.83 0.07 0.00 0.03 0.00 0.00 46.19 42.29 1wda s LEU 238 CO 0.17 -0.07 0.28 -0.04 0.23 0.00 0.00 176.35 176.92 1wda s MET 239 N -2.32 2.68 -0.07 1.70 -1.94 -1.26 -4.57 119.30 113.52 1wda s MET 239 Ca 0.48 -1.42 0.04 0.00 -1.71 0.00 0.00 55.69 53.08 1wda s MET 239 Cb -0.15 -3.84 0.00 0.00 2.01 0.00 0.00 34.83 32.86 1wda s MET 239 CO 0.20 -0.95 -0.18 0.08 -0.01 0.00 0.00 175.02 174.15 1wda s VAL 240 N 1.47 1.57 0.40 -6.03 1.01 -1.26 -5.14 120.40 112.42 1wda s VAL 240 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 1wda s VAL 240 Cb -0.23 -1.37 -0.07 0.00 0.00 0.00 0.00 36.38 34.71 1wda s VAL 240 CO 0.03 0.45 0.79 -2.16 0.00 0.00 0.00 175.10 174.21 1wda s PRO 241 N 0.27 3.86 1.31 2.72 0.04 -1.26 -4.84 135.00 137.09 1wda s PRO 241 Ca -0.11 0.59 -0.18 0.00 0.04 0.00 0.00 61.00 61.33 1wda s PRO 241 Cb -0.15 -2.37 0.33 0.00 0.04 0.00 0.00 34.50 32.36 1wda s PRO 241 CO 0.05 -0.01 0.98 0.20 0.04 0.00 0.00 177.00 178.25 1wda s GLY 242 N -2.91 1.47 0.00 0.56 0.00 -1.25 -4.74 107.32 100.46 1wda s GLY 242 Ca 0.53 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1wda s GLY 242 CO 0.27 0.34 0.00 0.61 0.00 0.00 0.00 173.10 174.32 1wda n GLY 243 N 0.99 -0.34 3.68 0.20 0.00 -0.02 -4.76 105.19 104.94 1wda n GLY 243 Ca 0.08 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 1wda n GLY 243 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wda s LYS 244 N 0.00 4.22 0.01 1.61 0.00 -1.26 -1.48 119.74 122.85 1wda s LYS 244 Ca 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 55.97 56.32 1wda s LYS 244 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 37.83 34.29 1wda s LYS 244 CO 0.00 -0.05 0.04 -1.58 0.00 0.00 0.00 175.35 173.75 1wda s HIS 245 N 1.33 0.15 -0.04 1.78 2.46 -0.09 -5.02 115.29 115.86 1wda s HIS 245 Ca 0.23 -0.32 0.01 0.00 0.47 0.00 0.00 55.06 55.46 1wda s HIS 245 Cb -0.15 -0.12 0.02 0.00 -0.13 0.00 0.00 32.58 32.20 1wda s HIS 245 CO 0.09 -0.21 -0.06 -0.80 -2.47 0.00 0.00 174.74 171.29 1wda s ASN 246 N -1.29 1.05 -0.18 9.88 0.02 -1.26 -1.55 114.94 121.61 1wda s ASN 246 Ca -0.14 -0.15 -0.01 0.00 -1.02 0.00 0.00 52.86 51.54 1wda s ASN 246 Cb -0.08 -0.47 0.05 0.00 0.02 0.00 0.00 41.25 40.77 1wda s ASN 246 CO 0.00 -0.02 -0.03 -0.32 0.02 0.00 0.00 177.10 176.75 1wda s MET 247 N 0.74 1.21 -0.01 -0.60 -2.45 -0.47 -4.97 119.30 112.75 1wda s MET 247 Ca -0.11 -0.52 -0.19 0.00 -1.25 0.00 0.00 55.69 53.62 1wda s MET 247 Cb -0.14 -2.05 -0.06 0.00 1.25 0.00 0.00 34.83 33.84 1wda s MET 247 CO 0.01 -0.50 0.53 -0.51 1.05 0.00 0.00 175.02 175.60 1wda s ASP 248 N 1.68 6.92 0.10 1.11 -0.00 -1.26 -1.26 116.67 123.95 1wda s ASP 248 Ca -0.00 1.09 0.09 0.00 -0.00 0.00 0.00 52.55 53.73 1wda s ASP 248 Cb -0.16 -2.33 -0.04 0.00 -0.00 0.00 0.00 42.92 40.39 1wda s ASP 248 CO -0.07 0.17 -0.24 -0.36 -0.00 0.00 0.00 175.17 174.66 1wda s PHE 249 N -0.42 2.05 -0.06 4.23 0.40 0.14 -1.49 117.98 122.81 1wda s PHE 249 Ca 0.28 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 56.26 1wda s PHE 249 Cb -0.18 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 42.21 1wda s PHE 249 CO 0.16 0.24 -0.21 0.71 0.70 0.00 0.00 175.22 176.82 1wda s TYR 250 N -1.06 2.53 -0.04 0.36 1.51 0.68 -1.28 117.35 120.06 1wda s TYR 250 Ca 0.10 -0.60 0.06 0.00 -1.01 0.00 0.00 57.07 55.62 1wda s TYR 250 Cb -0.10 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1wda s TYR 250 CO 0.05 -0.13 -0.21 0.08 -1.11 0.00 0.00 175.55 174.22 1wda s VAL 251 N -0.22 1.72 0.03 0.71 1.01 -0.25 -0.26 120.40 123.15 1wda s VAL 251 Ca -0.01 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1wda s VAL 251 Cb -0.13 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1wda s VAL 251 CO 0.03 0.49 -0.14 -1.83 0.00 0.00 0.00 175.10 173.65 1wda s GLU 252 N -0.18 0.96 0.16 2.72 -1.05 -0.65 -0.67 118.70 119.99 1wda s GLU 252 Ca -0.00 -0.73 -0.01 0.00 -0.15 0.00 0.00 54.97 54.08 1wda s GLU 252 Cb -0.11 -0.96 -0.04 0.00 -0.44 0.00 0.00 34.13 32.57 1wda s GLU 252 CO 0.02 0.24 0.34 0.00 0.95 0.00 0.00 175.26 176.81 1wda s ALA 253 N -0.79 3.87 -0.44 -0.84 0.00 -0.69 -1.73 121.76 121.14 1wda s ALA 253 Ca 0.02 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1wda s ALA 253 Cb -0.08 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 1wda s ALA 253 CO 0.01 0.54 0.41 1.28 0.00 0.00 0.00 175.76 178.00 1wda n LEU 254 N -0.40 0.76 -3.75 0.00 4.77 -0.03 -1.78 117.00 116.57 1wda n LEU 254 Ca -0.05 -0.71 -0.13 0.00 -0.03 0.00 0.00 56.01 55.09 1wda n LEU 254 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1wda n LEU 254 CO 0.49 0.16 0.03 0.00 -1.33 0.00 0.00 177.39 176.74 1wda s ALA 255 N -1.07 -0.86 0.61 -1.18 0.00 -1.26 -4.98 121.76 113.03 1wda s ALA 255 Ca 0.04 0.82 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 1wda s ALA 255 Cb 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1wda s ALA 255 CO 0.15 -0.20 1.03 -0.06 0.00 0.00 0.00 175.76 176.69 1wda s PHE 256 N -0.26 3.37 0.38 0.00 0.40 -1.26 -4.87 117.98 115.74 1wda s PHE 256 Ca -0.04 1.39 -0.26 0.00 -0.60 0.00 0.00 56.93 57.42 1wda s PHE 256 Cb -0.03 -2.82 -0.11 0.00 0.51 0.00 0.00 43.02 40.57 1wda s PHE 256 CO 0.02 -0.80 1.14 -2.30 0.70 0.00 0.00 175.22 173.97 1wda n PRO 257 N -2.46 1.68 -2.80 0.24 -0.02 -1.26 -4.92 135.00 125.45 1wda n PRO 257 Ca 0.07 0.59 -0.07 0.00 -2.02 0.00 0.00 63.50 62.08 1wda n PRO 257 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1wda n PRO 257 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1wda n ASP 258 N 0.62 -1.14 -0.33 2.55 -0.08 -0.22 -4.62 116.55 113.32 1wda n ASP 258 Ca 0.08 -2.03 0.22 0.00 -1.51 0.00 0.00 54.79 51.54 1wda n ASP 258 Cb 0.37 1.97 0.48 0.00 2.34 0.00 0.00 41.12 46.29 1wda n ASP 258 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1wda h THR 259 N 1.60 0.53 -0.42 5.18 2.02 -1.94 -0.84 112.91 119.03 1wda h THR 259 Ca -0.19 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 66.71 1wda h THR 259 Cb 0.73 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.11 1wda h THR 259 CO 0.24 0.08 0.06 -0.90 0.37 0.00 0.00 175.52 175.37 1wda n ASP 260 N -4.68 3.53 -3.15 4.18 5.75 -1.26 -4.83 116.55 116.09 1wda n ASP 260 Ca 0.26 -3.36 0.03 0.00 -0.01 0.00 0.00 54.79 51.71 1wda n ASP 260 Cb 0.85 -0.63 -0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1wda n ASP 260 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1wda s PHE 261 N -3.04 -1.62 0.58 2.11 5.36 -0.32 -5.02 117.98 116.02 1wda s PHE 261 Ca 0.46 0.77 0.28 0.00 -0.96 0.00 0.00 56.93 57.48 1wda s PHE 261 Cb 0.39 0.28 1.58 0.00 -0.34 0.00 0.00 43.02 44.93 1wda s PHE 261 CO 0.06 -0.98 2.06 -1.35 -1.46 0.00 0.00 175.22 173.55 1wda h PRO 262 N 7.59 0.00 0.00 10.12 0.11 -1.88 -0.56 132.00 147.37 1wda h PRO 262 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1wda h PRO 262 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wda h PRO 262 CO 0.10 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.30 1wda n GLY 263 N -1.45 1.21 3.83 -0.55 0.00 -1.26 -4.84 105.19 102.13 1wda n GLY 263 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1wda n GLY 263 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wda s LEU 264 N 0.00 4.33 -0.09 0.99 1.43 -1.26 -0.64 118.68 123.44 1wda s LEU 264 Ca 0.00 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1wda s LEU 264 Cb 0.00 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1wda s LEU 264 CO 0.00 0.34 -0.11 -0.63 0.23 0.00 0.00 176.35 176.18 1wda s ILE 265 N -0.59 1.17 -0.18 -0.59 -1.09 0.18 -4.96 121.20 115.14 1wda s ILE 265 Ca 0.13 -0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 58.06 1wda s ILE 265 Cb -0.12 -1.11 -0.03 0.00 -1.58 0.00 0.00 42.46 39.63 1wda s ILE 265 CO 0.02 0.38 -0.00 -0.89 -1.23 0.00 0.00 174.94 173.21 1wda s THR 266 N 1.11 4.07 -0.07 2.92 2.01 -1.26 0.12 115.64 124.54 1wda s THR 266 Ca -0.06 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.69 1wda s THR 266 Cb -0.14 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1wda s THR 266 CO -0.02 0.46 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.46 1wda s LEU 267 N 0.66 2.69 0.02 4.42 1.43 -0.65 -4.35 118.68 122.89 1wda s LEU 267 Ca -0.00 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1wda s LEU 267 Cb -0.14 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1wda s LEU 267 CO 0.02 0.30 -0.13 -0.89 0.23 0.00 0.00 176.35 175.88 1wda s THR 268 N -0.44 1.04 -0.16 5.49 2.01 -0.13 -1.34 115.64 122.11 1wda s THR 268 Ca 0.05 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 1wda s THR 268 Cb -0.12 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1wda s THR 268 CO 0.02 0.12 -0.03 -0.51 -0.69 0.00 0.00 174.62 173.53 1wda s ILE 269 N -0.61 3.91 -0.02 1.82 1.10 -0.08 -0.57 121.20 126.75 1wda s ILE 269 Ca 0.03 -0.35 0.04 0.00 -0.51 0.00 0.00 60.65 59.86 1wda s ILE 269 Cb -0.06 -2.72 -0.03 0.00 0.15 0.00 0.00 42.46 39.79 1wda s ILE 269 CO 0.00 0.48 -0.13 -0.44 -2.11 0.00 0.00 174.94 172.75 1wda s SER 270 N 0.48 4.16 -0.21 4.50 0.01 0.17 -1.83 113.70 120.99 1wda s SER 270 Ca -0.03 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 56.93 1wda s SER 270 Cb -0.14 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.17 1wda s SER 270 CO 0.03 0.31 0.10 -0.22 0.41 0.00 0.00 173.24 173.87 1wda s LEU 271 N -1.04 3.88 -0.09 2.44 2.96 0.01 -0.82 118.68 126.02 1wda s LEU 271 Ca 0.13 0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 1wda s LEU 271 Cb -0.11 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 1wda s LEU 271 CO 0.03 0.11 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.17 1wda s LEU 272 N 0.77 2.08 -0.31 -0.68 1.43 0.15 -0.57 118.68 121.56 1wda s LEU 272 Ca 0.05 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.35 1wda s LEU 272 Cb -0.13 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.70 1wda s LEU 272 CO 0.02 0.18 0.90 -0.62 0.23 0.00 0.00 176.35 177.07 1wda s ASP 273 N 0.20 6.77 -0.28 2.29 3.68 0.32 -0.44 116.67 129.20 1wda s ASP 273 Ca -0.15 0.81 0.08 0.00 2.13 0.00 0.00 52.55 55.42 1wda s ASP 273 Cb -0.17 -2.46 0.45 0.00 -1.45 0.00 0.00 42.92 39.29 1wda s ASP 273 CO 0.07 -0.72 1.22 0.35 0.13 0.00 0.00 175.17 176.23 1wda n THR 274 N 5.66 2.49 0.25 1.71 -2.24 -0.32 -2.21 114.28 119.62 1wda n THR 274 Ca 0.07 -3.97 0.13 0.00 -2.27 0.00 0.00 64.05 58.01 1wda n THR 274 Cb 0.48 -0.95 0.55 0.00 -2.10 0.00 0.00 70.33 68.31 1wda n THR 274 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wda h SER 275 N 1.92 0.00 -3.37 3.42 0.02 -1.89 -3.43 113.55 110.22 1wda h SER 275 Ca 0.30 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.58 1wda h SER 275 Cb 1.42 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.63 1wda h SER 275 CO 0.62 0.13 -0.79 0.20 -1.14 0.00 0.00 176.83 175.85 1wda s ASN 276 N -5.99 3.89 0.28 3.07 -0.87 -1.26 -4.98 114.94 109.07 1wda s ASN 276 Ca 0.01 -0.79 0.25 0.00 -1.57 0.00 0.00 52.86 50.76 1wda s ASN 276 Cb 0.10 -1.59 0.92 0.00 -0.02 0.00 0.00 41.25 40.66 1wda s ASN 276 CO 0.60 -0.07 1.75 -0.07 -2.57 0.00 0.00 177.10 176.74 1wda h LEU 277 N 7.97 0.00 -3.51 0.60 -0.00 -1.99 -3.01 115.31 115.37 1wda h LEU 277 Ca -0.37 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.30 1wda h LEU 277 Cb 1.12 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.65 1wda h LEU 277 CO 0.59 0.00 0.13 -0.62 -0.00 0.00 0.00 178.44 178.54 1wda n GLU 278 N -2.37 2.46 -3.76 1.13 -0.58 -1.26 -4.97 120.64 111.29 1wda n GLU 278 Ca 0.03 -3.07 -0.13 0.00 -0.42 0.00 0.00 57.16 53.57 1wda n GLU 278 Cb 0.32 -1.96 -0.09 0.00 -0.57 0.00 0.00 31.44 29.15 1wda n GLU 278 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1wda s LEU 279 N -3.13 0.87 0.97 -4.62 1.43 -1.14 -5.16 118.68 107.90 1wda s LEU 279 Ca 0.48 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.54 1wda s LEU 279 Cb 0.41 1.26 0.18 0.00 0.03 0.00 0.00 46.19 48.07 1wda s LEU 279 CO 0.06 -0.46 1.13 -2.84 0.23 0.00 0.00 176.35 174.47 1wda s PRO 280 N -1.39 0.58 0.43 1.29 0.02 -1.26 -4.79 135.00 129.87 1wda s PRO 280 Ca -0.13 1.44 -0.23 0.00 0.02 0.00 0.00 61.00 62.10 1wda s PRO 280 Cb -0.05 -1.68 -0.11 0.00 0.02 0.00 0.00 34.50 32.67 1wda s PRO 280 CO 0.04 -2.90 0.75 0.39 -0.33 0.00 0.00 177.00 174.95 1wda n GLU 281 N -4.41 0.87 -4.13 5.54 1.02 -1.26 -4.94 120.64 113.34 1wda n GLU 281 Ca 0.10 0.32 -0.28 0.00 -0.02 0.00 0.00 57.16 57.28 1wda n GLU 281 Cb 0.52 -1.75 -0.17 0.00 -0.02 0.00 0.00 31.44 30.03 1wda n GLU 281 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wda s ALA 282 N -1.40 1.58 0.13 0.62 0.00 -0.94 -4.96 121.76 116.80 1wda s ALA 282 Ca 0.64 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 1wda s ALA 282 Cb -0.57 -0.91 -0.07 0.00 0.00 0.00 0.00 23.12 21.57 1wda s ALA 282 CO 0.57 -0.28 1.18 0.08 0.00 0.00 0.00 175.76 177.30 1wda s VAL 283 N 1.38 3.83 -0.07 0.00 1.01 -1.26 -0.52 120.40 124.76 1wda s VAL 283 Ca 0.01 1.44 0.12 0.00 0.00 0.00 0.00 61.98 63.55 1wda s VAL 283 Cb -0.13 -3.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.15 1wda s VAL 283 CO -0.07 0.19 0.15 0.52 0.00 0.00 0.00 175.10 175.89 1wda n VAL 284 N 3.07 0.43 -3.64 2.92 0.31 0.27 -4.91 118.33 116.78 1wda n VAL 284 Ca 0.06 -0.41 -0.05 0.00 -0.01 0.00 0.00 64.34 63.94 1wda n VAL 284 Cb 0.46 -0.27 -0.07 0.00 -0.91 0.00 0.00 33.84 33.05 1wda n VAL 284 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1wda s PHE 285 N -2.57 -0.60 0.07 3.52 2.19 -1.23 -4.99 117.98 114.37 1wda s PHE 285 Ca -0.05 1.25 0.07 0.00 0.33 0.00 0.00 56.93 58.53 1wda s PHE 285 Cb 0.06 0.38 -0.03 0.00 -1.31 0.00 0.00 43.02 42.12 1wda s PHE 285 CO 0.51 -0.29 -0.20 -0.65 1.83 0.00 0.00 175.22 176.42 1wda s GLN 286 N 1.08 1.18 0.03 10.12 -0.21 -1.26 -0.81 119.66 129.79 1wda s GLN 286 Ca -0.06 -1.02 -0.04 0.00 0.02 0.00 0.00 55.36 54.26 1wda s GLN 286 Cb -0.04 -1.34 -0.01 0.00 1.00 0.00 0.00 33.01 32.62 1wda s GLN 286 CO -0.13 0.32 0.06 0.34 -2.12 0.00 0.00 175.29 173.77 1wda s ASP 287 N -1.53 0.21 0.09 5.90 2.15 -0.76 -5.01 116.67 117.71 1wda s ASP 287 Ca 0.06 -0.55 -0.03 0.00 0.43 0.00 0.00 52.55 52.46 1wda s ASP 287 Cb -0.09 0.20 -0.03 0.00 -0.30 0.00 0.00 42.92 42.70 1wda s ASP 287 CO 0.03 -0.47 0.05 -0.44 -0.17 0.00 0.00 175.17 174.17 1wda s SER 288 N -2.03 0.34 -0.00 -0.34 0.01 -1.26 -0.91 113.70 109.52 1wda s SER 288 Ca -0.06 -0.99 0.06 0.00 1.31 0.00 0.00 55.95 56.26 1wda s SER 288 Cb -0.02 0.27 -0.02 0.00 0.21 0.00 0.00 66.02 66.46 1wda s SER 288 CO -0.04 -0.68 -0.19 0.68 0.41 0.00 0.00 173.24 173.42 1wda s VAL 289 N -3.95 1.50 -0.23 3.43 -7.23 -0.45 -4.79 120.40 108.67 1wda s VAL 289 Ca 0.12 -0.88 -0.06 0.00 -1.81 0.00 0.00 61.98 59.35 1wda s VAL 289 Cb 0.07 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 1wda s VAL 289 CO -0.06 0.36 0.03 -0.69 -0.31 0.00 0.00 175.10 174.43 1wda s VAL 290 N -0.53 4.07 0.05 1.32 1.01 -1.26 -1.63 120.40 123.43 1wda s VAL 290 Ca 0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1wda s VAL 290 Cb -0.08 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1wda s VAL 290 CO -0.00 0.37 0.25 -0.36 0.00 0.00 0.00 175.10 175.36 1wda s PHE 291 N 1.44 3.53 -0.17 5.22 0.40 0.12 -3.72 117.98 124.81 1wda s PHE 291 Ca 0.05 0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.76 1wda s PHE 291 Cb -0.15 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 1wda s PHE 291 CO 0.02 0.57 -0.07 0.50 0.70 0.00 0.00 175.22 176.94 1wda s ARG 292 N -2.27 3.47 0.14 0.44 3.52 -0.58 -0.65 118.95 123.01 1wda s ARG 292 Ca 0.33 -0.62 -0.31 0.00 -0.13 0.00 0.00 55.73 55.01 1wda s ARG 292 Cb -0.13 -2.84 -0.08 0.00 -1.56 0.00 0.00 34.95 30.34 1wda s ARG 292 CO 0.23 0.08 1.35 0.08 -0.81 0.00 0.00 175.30 176.22 1wda s VAL 293 N 0.75 3.32 0.16 7.11 1.01 0.19 -1.20 120.40 131.74 1wda s VAL 293 Ca -0.03 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 1wda s VAL 293 Cb -0.15 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 1wda s VAL 293 CO 0.02 0.10 1.31 0.00 0.00 0.00 0.00 175.10 176.53 1wda s ALA 294 N 0.73 3.52 0.59 5.51 0.00 -0.24 -4.80 121.76 127.08 1wda s ALA 294 Ca 0.61 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 53.50 1wda s ALA 294 Cb -0.36 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 1wda s ALA 294 CO 0.33 -0.53 1.03 -1.25 0.00 0.00 0.00 175.76 175.35 1wda s PRO 295 N 0.29 3.46 0.09 0.00 0.04 -1.26 -4.74 135.00 132.88 1wda s PRO 295 Ca 0.58 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 1wda s PRO 295 Cb -0.36 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1wda s PRO 295 CO 0.35 -0.68 1.06 -0.46 0.04 0.00 0.00 177.00 177.31 1wda s TRP 296 N -2.67 3.62 -0.05 0.56 -0.00 -1.26 -4.55 118.94 114.59 1wda s TRP 296 Ca 0.60 1.59 0.03 0.00 -0.00 0.00 0.00 56.10 58.33 1wda s TRP 296 Cb -0.13 -3.22 0.01 0.00 -0.00 0.00 0.00 33.47 30.12 1wda s TRP 296 CO 0.40 -0.44 -0.12 0.42 -0.00 0.00 0.00 176.95 177.21 1wda s ILE 297 N 0.47 1.05 0.39 5.86 1.01 -0.61 -4.90 121.20 124.46 1wda s ILE 297 Ca 0.52 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1wda s ILE 297 Cb -0.26 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1wda s ILE 297 CO 0.31 0.33 0.63 -0.04 0.00 0.00 0.00 174.94 176.16 1wda s MET 298 N 0.44 3.51 -0.18 2.79 -1.94 -1.26 -0.40 119.30 122.27 1wda s MET 298 Ca -0.09 -0.14 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 1wda s MET 298 Cb -0.13 -2.57 0.01 0.00 2.01 0.00 0.00 34.83 34.15 1wda s MET 298 CO 0.02 0.03 -0.17 0.95 -0.01 0.00 0.00 175.02 175.85 1wda s THR 299 N -2.45 2.37 1.02 2.05 -4.23 -1.26 -4.93 115.64 108.21 1wda s THR 299 Ca 0.43 -0.85 -0.14 0.00 -1.18 0.00 0.00 61.69 59.96 1wda s THR 299 Cb -0.10 -2.01 0.20 0.00 1.34 0.00 0.00 72.50 71.94 1wda s THR 299 CO 0.39 0.52 1.11 -2.16 -0.54 0.00 0.00 174.62 173.93 1wda s PRO 300 N 1.17 0.22 0.28 3.99 0.04 -1.26 -4.85 135.00 134.58 1wda s PRO 300 Ca 0.02 0.35 0.21 0.00 0.04 0.00 0.00 61.00 61.61 1wda s PRO 300 Cb -0.14 -1.73 1.03 0.00 0.04 0.00 0.00 34.50 33.71 1wda s PRO 300 CO -0.08 -2.83 1.63 0.09 0.04 0.00 0.00 177.00 175.85 1wda n ASN 301 N -4.22 0.55 -0.02 6.66 3.02 -1.26 -2.05 115.26 117.93 1wda n ASN 301 Ca 0.07 0.71 0.12 0.00 -0.03 0.00 0.00 54.58 55.45 1wda n ASN 301 Cb 0.58 -0.80 0.30 0.00 -0.61 0.00 0.00 39.78 39.25 1wda n ASN 301 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wda n THR 302 N -2.19 0.00 -2.77 3.41 -2.24 -1.26 -4.69 114.28 104.54 1wda n THR 302 Ca -0.00 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 1wda n THR 302 Cb 0.09 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 1wda n THR 302 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1wda s GLN 303 N -2.95 4.61 0.21 -0.78 -1.52 -0.87 -4.95 119.66 113.41 1wda s GLN 303 Ca 0.13 1.36 -0.32 0.00 -1.95 0.00 0.00 55.36 54.58 1wda s GLN 303 Cb 0.18 -3.41 -0.14 0.00 -0.22 0.00 0.00 33.01 29.43 1wda s GLN 303 CO 0.67 0.13 1.44 -2.30 -0.25 0.00 0.00 175.29 174.98 1wda n PRO 304 N 3.20 2.00 -2.10 2.91 -0.02 -1.26 -4.64 135.00 135.09 1wda n PRO 304 Ca 0.03 0.72 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 1wda n PRO 304 Cb 0.50 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1wda n PRO 304 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1wda s PRO 305 N -0.00 3.41 0.00 0.52 0.04 -1.26 -1.13 135.00 136.57 1wda s PRO 305 Ca 0.72 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1wda s PRO 305 Cb -0.68 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1wda s PRO 305 CO 0.46 -0.73 0.00 1.04 0.04 0.00 0.00 177.00 177.81 1wda n GLN 306 N -1.95 1.33 -3.70 4.56 6.02 -0.29 -4.82 117.38 118.54 1wda n GLN 306 Ca 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1wda n GLN 306 Cb 0.53 -0.70 -0.10 0.00 1.02 0.00 0.00 30.24 30.98 1wda n GLN 306 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1wda s GLU 307 N -1.41 0.43 0.01 -1.09 2.12 -1.12 -1.41 118.70 116.24 1wda s GLU 307 Ca 0.00 0.79 0.02 0.00 0.36 0.00 0.00 54.97 56.14 1wda s GLU 307 Cb 0.00 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 1wda s GLU 307 CO 0.00 -0.14 0.02 0.08 -0.54 0.00 0.00 175.26 174.68 1wda s VAL 308 N 1.23 4.29 -0.05 3.70 1.01 -0.25 -1.43 120.40 128.91 1wda s VAL 308 Ca -0.08 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.34 1wda s VAL 308 Cb -0.07 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1wda s VAL 308 CO -0.11 0.32 -0.23 -0.31 0.00 0.00 0.00 175.10 174.78 1wda s TYR 309 N -1.16 2.20 -0.01 5.22 1.51 0.28 -1.51 117.35 123.89 1wda s TYR 309 Ca 0.22 -0.64 -0.15 0.00 -1.01 0.00 0.00 57.07 55.48 1wda s TYR 309 Cb -0.12 -1.45 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1wda s TYR 309 CO 0.13 -0.19 0.32 0.00 -1.11 0.00 0.00 175.55 174.69 1wda s ALA 310 N -0.12 -0.80 -0.45 3.71 0.00 -0.99 -1.95 121.76 121.17 1wda s ALA 310 Ca -0.03 0.34 0.09 0.00 0.00 0.00 0.00 51.96 52.35 1wda s ALA 310 Cb -0.13 0.08 0.29 0.00 0.00 0.00 0.00 23.12 23.37 1wda s ALA 310 CO 0.03 -0.27 0.67 0.00 0.00 0.00 0.00 175.76 176.20 1wda n SER 312 N 0.77 2.91 -4.56 0.00 3.41 -1.26 -4.52 113.62 110.37 1wda n SER 312 Ca 0.25 -1.89 -0.27 0.00 -0.26 0.00 0.00 58.87 56.69 1wda n SER 312 Cb 0.54 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1wda n SER 312 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wda s ILE 313 N -1.04 3.23 0.00 -1.33 -1.09 -1.26 -4.50 121.20 115.21 1wda s ILE 313 Ca 0.26 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 1wda s ILE 313 Cb 0.14 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1wda s ILE 313 CO 0.19 -0.51 0.00 2.22 -1.23 0.00 0.00 174.94 175.61 1wda n PHE 314 N 15.37 -0.06 -0.41 3.97 -0.00 -1.26 -3.13 117.46 131.93 1wda n PHE 314 Ca 0.37 0.00 0.33 0.00 -0.00 0.00 0.00 57.45 58.15 1wda n PHE 314 Cb 0.49 0.00 0.55 0.00 -0.00 0.00 0.00 39.48 40.51 1wda n PHE 314 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1wda n GLU 315 N 0.00 -0.02 -1.73 3.97 0.28 -1.26 -4.57 120.64 117.30 1wda n GLU 315 Ca 0.00 0.93 -0.30 0.00 -0.16 0.00 0.00 57.16 57.63 1wda n GLU 315 Cb 0.00 -1.90 0.07 0.00 1.43 0.00 0.00 31.44 31.04 1wda n GLU 315 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wda s ASN 316 N -4.23 4.87 0.00 -1.84 2.20 -1.26 -5.02 114.94 109.66 1wda s ASN 316 Ca -0.05 1.16 0.00 0.00 -0.94 0.00 0.00 52.86 53.03 1wda s ASN 316 Cb 0.23 -1.89 0.00 0.00 -2.00 0.00 0.00 41.25 37.59 1wda s ASN 316 CO 0.64 -1.71 0.00 -0.62 -2.94 0.00 0.00 177.10 172.47 1wda n GLU 317 N -3.25 0.00 0.19 3.55 4.71 -1.26 -4.78 120.64 119.80 1wda n GLU 317 Ca 0.07 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.29 1wda n GLU 317 Cb 0.57 -0.26 0.19 0.00 -1.01 0.00 0.00 31.44 30.94 1wda n GLU 317 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1wda h ASP 318 N 0.00 0.00 -0.14 1.62 3.45 -1.95 -3.01 116.42 116.39 1wda h ASP 318 Ca 0.00 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.50 1wda h ASP 318 Cb 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.73 1wda h ASP 318 CO 0.00 0.28 -0.09 0.15 -1.57 0.00 0.00 179.24 178.00 1wda h PHE 319 N 0.00 -0.23 -0.84 4.55 3.57 -1.92 -2.90 116.94 119.17 1wda h PHE 319 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1wda h PHE 319 Cb 1.10 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1wda h PHE 319 CO 0.00 -0.14 0.53 -0.07 -2.23 0.00 0.00 178.31 176.39 1wda h LEU 320 N -0.10 0.99 -0.31 0.59 4.07 -1.88 -2.33 115.31 116.34 1wda h LEU 320 Ca 0.09 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.05 1wda h LEU 320 Cb 0.22 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.67 1wda h LEU 320 CO -0.20 0.74 0.03 0.11 -1.08 0.00 0.00 178.44 178.04 1wda h LYS 321 N 1.15 0.12 -0.47 1.13 1.57 -1.41 0.28 116.57 118.94 1wda h LYS 321 Ca 0.30 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 1wda h LYS 321 Cb -0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1wda h LYS 321 CO -0.06 0.08 -0.00 0.77 -0.57 0.00 0.00 179.45 179.67 1wda h SER 322 N 0.13 0.82 -0.17 0.86 0.02 -1.27 -1.04 113.55 112.90 1wda h SER 322 Ca 0.15 -0.31 -0.15 0.00 -0.84 0.00 0.00 61.79 60.64 1wda h SER 322 Cb 0.18 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1wda h SER 322 CO -0.22 0.93 -0.42 -0.37 -1.14 0.00 0.00 176.83 175.61 1wda h VAL 323 N 0.69 1.29 -0.92 2.27 -1.51 -1.18 -2.39 116.25 114.50 1wda h VAL 323 Ca 0.13 -1.60 0.08 0.00 -1.23 0.00 0.00 66.70 64.08 1wda h VAL 323 Cb 0.51 1.51 -0.07 0.00 -2.13 0.00 0.00 31.29 31.12 1wda h VAL 323 CO 0.03 0.51 0.58 0.74 -1.23 0.00 0.00 177.57 178.20 1wda h THR 324 N 0.58 1.02 -0.39 7.19 2.02 -0.29 -0.50 112.91 122.55 1wda h THR 324 Ca 0.04 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1wda h THR 324 Cb 0.96 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1wda h THR 324 CO 0.09 0.19 0.03 0.74 0.37 0.00 0.00 175.52 176.94 1wda h THR 325 N 1.02 1.25 -0.49 3.16 2.02 -0.96 -2.41 112.91 116.51 1wda h THR 325 Ca 0.41 -0.93 -0.13 0.00 0.77 0.00 0.00 66.41 66.53 1wda h THR 325 Cb 0.24 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1wda h THR 325 CO -0.20 0.32 -0.21 -0.07 0.37 0.00 0.00 175.52 175.73 1wda h LEU 326 N 0.49 1.03 -0.21 2.58 3.38 -0.93 0.84 115.31 122.49 1wda h LEU 326 Ca 0.11 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1wda h LEU 326 Cb 0.42 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1wda h LEU 326 CO 0.01 1.19 0.01 0.00 0.09 0.00 0.00 178.44 179.74 1wda h ALA 327 N 0.88 0.18 -0.76 1.53 0.00 -1.09 0.27 119.26 120.27 1wda h ALA 327 Ca 0.11 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1wda h ALA 327 Cb 0.79 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1wda h ALA 327 CO 0.07 -0.42 0.25 1.98 0.00 0.00 0.00 179.25 181.12 1wda h MET 328 N 0.07 1.17 -0.84 0.00 1.85 -1.18 -0.00 114.93 116.01 1wda h MET 328 Ca 0.10 -0.25 -0.01 0.00 -0.61 0.00 0.00 59.70 58.93 1wda h MET 328 Cb 0.12 -0.17 -0.04 0.00 0.43 0.00 0.00 31.60 31.93 1wda h MET 328 CO -0.16 0.98 0.50 0.87 -0.40 0.00 0.00 176.91 178.71 1wda h LYS 329 N 1.12 1.14 -0.00 0.39 1.57 -0.47 -2.86 116.57 117.47 1wda h LYS 329 Ca 0.25 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1wda h LYS 329 Cb 0.29 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1wda h LYS 329 CO -0.01 0.81 -0.05 0.00 -0.57 0.00 0.00 179.45 179.63 1wda n ALA 330 N -2.36 2.67 -3.06 3.86 0.00 0.91 -4.94 120.51 117.59 1wda n ALA 330 Ca 0.09 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1wda n ALA 330 Cb 0.06 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.17 1wda n ALA 330 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wda n LYS 331 N -0.93 -4.76 -4.70 0.00 4.01 -0.16 -4.91 118.16 106.72 1wda n LYS 331 Ca 0.17 0.56 -0.33 0.00 -0.51 0.00 0.00 58.31 58.20 1wda n LYS 331 Cb 0.24 -4.73 -0.12 0.00 -0.51 0.00 0.00 35.03 29.91 1wda n LYS 331 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wda n LYS 333 N 2.02 0.65 -3.85 0.00 4.76 -0.50 -4.55 118.16 116.69 1wda n LYS 333 Ca -0.17 0.28 -0.27 0.00 -2.87 0.00 0.00 58.31 55.28 1wda n LYS 333 Cb 0.52 -2.34 -0.17 0.00 -1.84 0.00 0.00 35.03 31.21 1wda n LYS 333 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1wda s LEU 334 N -3.75 1.36 -0.03 -0.35 1.98 -1.26 -1.08 118.68 115.53 1wda s LEU 334 Ca 0.76 -0.57 0.06 0.00 -2.89 0.00 0.00 54.13 51.50 1wda s LEU 334 Cb -0.35 -0.79 -0.02 0.00 0.66 0.00 0.00 46.19 45.69 1wda s LEU 334 CO 0.47 -0.20 -0.23 0.28 -1.89 0.00 0.00 176.35 174.79 1wda s THR 335 N 1.72 2.34 0.02 3.68 -1.32 -0.57 -4.99 115.64 116.52 1wda s THR 335 Ca 0.01 -0.99 0.05 0.00 -1.21 0.00 0.00 61.69 59.55 1wda s THR 335 Cb -0.15 -1.85 -0.02 0.00 -1.51 0.00 0.00 72.50 68.98 1wda s THR 335 CO -0.07 0.58 -0.14 -0.63 -2.21 0.00 0.00 174.62 172.15 1wda s ILE 336 N -0.56 1.12 -0.24 5.08 1.01 -1.25 -2.34 121.20 124.01 1wda s ILE 336 Ca 0.08 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 1wda s ILE 336 Cb -0.11 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1wda s ILE 336 CO 0.00 0.16 0.02 0.00 0.00 0.00 0.00 174.94 175.12 1wda s PRO 338 N 1.55 1.37 0.41 0.00 0.04 -1.26 -4.00 135.00 133.10 1wda s PRO 338 Ca 0.06 0.61 0.11 0.00 0.04 0.00 0.00 61.00 61.82 1wda s PRO 338 Cb -0.15 -1.84 0.86 0.00 0.04 0.00 0.00 34.50 33.41 1wda s PRO 338 CO 0.00 -2.11 1.95 1.05 0.04 0.00 0.00 177.00 177.93 1wda h GLU 339 N -1.45 0.18 -0.56 4.56 4.11 -1.92 0.16 114.58 119.67 1wda h GLU 339 Ca -0.50 -0.04 0.08 0.00 0.07 0.00 0.00 59.36 58.97 1wda h GLU 339 Cb 1.30 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1wda h GLU 339 CO 0.58 0.31 0.37 0.93 0.07 0.00 0.00 179.01 181.27 1wda h GLU 340 N 0.17 0.44 0.08 1.06 3.07 -1.92 -2.79 114.58 114.69 1wda h GLU 340 Ca 0.04 -0.03 -0.37 0.00 -0.50 0.00 0.00 59.36 58.50 1wda h GLU 340 Cb 0.33 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 1wda h GLU 340 CO 0.02 0.29 -2.08 0.39 -1.40 0.00 0.00 179.01 176.23 1wda n GLU 341 N -4.47 0.71 -0.34 2.33 1.02 -0.89 -4.54 120.64 114.47 1wda n GLU 341 Ca 0.08 0.26 0.14 0.00 -0.02 0.00 0.00 57.16 57.62 1wda n GLU 341 Cb 0.29 -1.66 0.35 0.00 -0.02 0.00 0.00 31.44 30.41 1wda n GLU 341 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1wda h ASN 342 N -0.07 0.73 -4.01 1.62 2.35 -0.52 -3.44 115.58 112.25 1wda h ASN 342 Ca -0.47 0.08 -0.38 0.00 -0.55 0.00 0.00 56.30 54.98 1wda h ASN 342 Cb 1.93 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 40.26 1wda h ASN 342 CO 0.00 0.27 -0.54 0.80 -1.65 0.00 0.00 177.43 176.32 1wda n MET 343 N -4.71 -3.29 -1.16 0.81 1.56 -1.07 -2.14 117.12 107.13 1wda n MET 343 Ca 0.22 0.85 -0.05 0.00 -0.27 0.00 0.00 57.70 58.45 1wda n MET 343 Cb 0.58 -5.60 -0.02 0.00 2.15 0.00 0.00 33.22 30.33 1wda n MET 343 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1wda n ASP 344 N -2.23 -4.03 -4.50 6.12 10.43 -1.26 -4.76 116.55 116.32 1wda n ASP 344 Ca -0.15 0.13 -0.43 0.00 2.57 0.00 0.00 54.79 56.91 1wda n ASP 344 Cb 0.63 -2.00 -0.04 0.00 1.84 0.00 0.00 41.12 41.55 1wda n ASP 344 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1wda s ASP 345 N -2.62 6.29 0.00 -2.24 -1.08 -0.91 -4.93 116.67 111.19 1wda s ASP 345 Ca 0.00 -0.52 0.26 0.00 -0.52 0.00 0.00 52.55 51.77 1wda s ASP 345 Cb 0.00 -2.42 0.72 0.00 -1.46 0.00 0.00 42.92 39.75 1wda s ASP 345 CO 0.00 -1.25 1.54 0.00 0.52 0.00 0.00 175.17 175.98 1wda n GLN 346 N 7.44 0.63 -2.43 4.34 10.64 -1.26 -4.70 117.38 132.04 1wda n GLN 346 Ca 0.00 -0.36 -0.43 0.00 -1.83 0.00 0.00 57.00 54.38 1wda n GLN 346 Cb 0.47 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 1wda n GLN 346 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1wda n TRP 347 N -0.87 3.39 0.26 2.61 7.02 -1.26 -4.54 117.44 124.05 1wda n TRP 347 Ca 0.11 -2.91 0.14 0.00 -1.02 0.00 0.00 57.50 53.81 1wda n TRP 347 Cb 0.34 -2.03 0.70 0.00 -2.42 0.00 0.00 31.31 27.90 1wda n TRP 347 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 1wda h MET 348 N 6.05 0.00 0.00 -0.99 4.05 -1.71 -1.80 114.93 120.54 1wda h MET 348 Ca 0.39 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.80 1wda h MET 348 Cb 0.68 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1wda h MET 348 CO 1.56 0.12 -0.05 0.37 0.23 0.00 0.00 176.91 179.14 1wda h GLN 349 N 0.00 0.00 0.01 0.39 5.75 -0.85 -3.39 115.11 117.02 1wda h GLN 349 Ca -0.00 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.13 1wda h GLN 349 Cb 0.43 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.92 1wda h GLN 349 CO 0.02 0.05 -2.31 -0.25 -2.65 0.00 0.00 178.83 173.69 1wda n ASP 350 N -3.93 0.70 0.25 -0.69 8.00 -0.68 -3.71 116.55 116.49 1wda n ASP 350 Ca -0.03 0.03 0.15 0.00 0.71 0.00 0.00 54.79 55.65 1wda n ASP 350 Cb 0.14 0.43 0.45 0.00 -0.02 0.00 0.00 41.12 42.12 1wda n ASP 350 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wda h GLU 351 N 0.00 0.00 -3.49 -1.24 4.39 -1.75 0.23 114.58 112.72 1wda h GLU 351 Ca -0.52 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.12 1wda h GLU 351 Cb 2.12 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 30.65 1wda h GLU 351 CO 0.01 0.00 -0.13 0.00 -1.16 0.00 0.00 179.01 177.73 1wda s MET 352 N -3.46 1.07 -0.03 2.33 0.23 -1.26 -0.53 119.30 117.65 1wda s MET 352 Ca 0.04 -0.80 -0.01 0.00 -1.03 0.00 0.00 55.69 53.89 1wda s MET 352 Cb 0.07 0.45 0.03 0.00 -1.53 0.00 0.00 34.83 33.85 1wda s MET 352 CO 0.60 -0.41 0.04 -2.00 -2.03 0.00 0.00 175.02 171.22 1wda s GLU 353 N -3.83 -0.04 -0.36 3.16 2.56 0.02 -4.82 118.70 115.39 1wda s GLU 353 Ca 0.05 0.25 -0.15 0.00 0.00 0.00 0.00 54.97 55.12 1wda s GLU 353 Cb 0.02 -0.35 -0.01 0.00 2.00 0.00 0.00 34.13 35.80 1wda s GLU 353 CO -0.10 -0.22 0.32 0.42 -0.56 0.00 0.00 175.26 175.12 1wda s ILE 354 N 1.44 5.21 0.00 -3.70 -1.09 -1.26 -0.39 121.20 121.41 1wda s ILE 354 Ca -0.04 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 1wda s ILE 354 Cb -0.13 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 1wda s ILE 354 CO -0.03 -0.13 0.00 0.61 -1.23 0.00 0.00 174.94 174.16 1wda n GLY 355 N 5.05 5.89 3.48 6.18 0.00 -0.10 -4.44 105.19 121.25 1wda n GLY 355 Ca -0.10 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 1wda n GLY 355 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wda s TYR 356 N 1.59 0.30 0.10 1.61 -0.85 0.46 -0.59 117.35 119.98 1wda s TYR 356 Ca 0.00 -0.65 0.08 0.00 -0.52 0.00 0.00 57.07 55.98 1wda s TYR 356 Cb 0.00 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.44 1wda s TYR 356 CO 0.00 -0.88 -0.20 0.96 -1.52 0.00 0.00 175.55 173.91 1wda s ILE 357 N -3.98 1.69 -0.09 -3.49 -4.36 -0.53 -1.58 121.20 108.87 1wda s ILE 357 Ca 0.18 -1.56 -0.04 0.00 -0.26 0.00 0.00 60.65 58.98 1wda s ILE 357 Cb 0.01 -1.55 0.04 0.00 1.25 0.00 0.00 42.46 42.21 1wda s ILE 357 CO 0.04 -0.08 0.19 -1.58 0.24 0.00 0.00 174.94 173.74 1wda s GLN 358 N -1.96 0.13 0.16 0.37 0.74 -1.26 -1.41 119.66 116.42 1wda s GLN 358 Ca 0.07 0.48 0.01 0.00 0.05 0.00 0.00 55.36 55.97 1wda s GLN 358 Cb -0.10 -0.16 -0.04 0.00 1.10 0.00 0.00 33.01 33.81 1wda s GLN 358 CO 0.04 -0.19 0.01 0.00 -0.55 0.00 0.00 175.29 174.61 1wda s ALA 359 N 1.43 1.22 0.41 1.58 0.00 -0.03 -4.87 121.76 121.49 1wda s ALA 359 Ca -0.07 -1.56 0.11 0.00 0.00 0.00 0.00 51.96 50.44 1wda s ALA 359 Cb -0.11 0.62 0.93 0.00 0.00 0.00 0.00 23.12 24.55 1wda s ALA 359 CO -0.07 -0.36 1.99 -1.35 0.00 0.00 0.00 175.76 175.97 1wda h PRO 360 N 2.74 0.51 0.00 0.00 0.11 -1.93 -2.29 132.00 131.14 1wda h PRO 360 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1wda h PRO 360 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1wda h PRO 360 CO 0.62 0.34 -0.63 1.12 -0.21 0.00 0.00 178.00 179.23 1wda h HIS 361 N 0.52 0.00 -1.56 0.65 2.07 -1.94 -3.42 115.15 111.48 1wda h HIS 361 Ca 0.27 0.00 0.10 0.00 -2.85 0.00 0.00 60.37 57.89 1wda h HIS 361 Cb 0.37 0.00 -0.27 0.00 2.57 0.00 0.00 27.41 30.08 1wda h HIS 361 CO -0.00 0.00 0.39 0.21 -3.07 0.00 0.00 177.93 175.46 1wda s LYS 362 N -3.18 0.41 -0.05 5.12 2.47 -0.86 -4.98 119.74 118.66 1wda s LYS 362 Ca 0.06 0.66 0.04 0.00 -1.56 0.00 0.00 55.97 55.17 1wda s LYS 362 Cb 0.13 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.61 1wda s LYS 362 CO 0.72 -0.08 -0.16 0.99 0.16 0.00 0.00 175.35 176.98 1wda s THR 363 N 1.15 1.41 0.03 3.43 2.01 -1.26 -0.85 115.64 121.55 1wda s THR 363 Ca -0.07 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 1wda s THR 363 Cb -0.04 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.24 1wda s THR 363 CO -0.14 0.41 0.15 -1.48 -0.69 0.00 0.00 174.62 172.87 1wda s LEU 364 N 0.24 1.57 0.40 4.42 2.34 -0.50 -5.01 118.68 122.13 1wda s LEU 364 Ca -0.08 -0.39 -0.25 0.00 0.06 0.00 0.00 54.13 53.46 1wda s LEU 364 Cb -0.13 0.77 -0.08 0.00 -0.56 0.00 0.00 46.19 46.18 1wda s LEU 364 CO 0.03 -0.50 1.15 -2.16 -1.06 0.00 0.00 176.35 173.81 1wda s PRO 365 N -2.33 4.05 -0.02 1.48 0.04 -1.25 -1.45 135.00 135.52 1wda s PRO 365 Ca -0.07 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1wda s PRO 365 Cb -0.02 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.90 1wda s PRO 365 CO -0.03 -0.30 0.01 0.08 0.04 0.00 0.00 177.00 176.79 1wda s VAL 366 N -1.46 0.09 -0.22 -0.36 1.01 0.25 0.11 120.40 119.82 1wda s VAL 366 Ca 0.58 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.53 1wda s VAL 366 Cb -0.29 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1wda s VAL 366 CO 0.36 0.11 0.26 -0.69 0.00 0.00 0.00 175.10 175.14 1wda s VAL 367 N 0.83 5.30 -0.30 2.92 1.01 -0.21 -0.92 120.40 129.03 1wda s VAL 367 Ca -0.08 0.40 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 1wda s VAL 367 Cb -0.11 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1wda s VAL 367 CO -0.02 0.31 0.53 0.12 0.00 0.00 0.00 175.10 176.04 1wda s PHE 368 N 1.14 3.23 -0.36 5.22 5.36 0.48 -1.43 117.98 131.61 1wda s PHE 368 Ca 0.12 0.48 -0.13 0.00 -0.96 0.00 0.00 56.93 56.44 1wda s PHE 368 Cb -0.14 -2.83 -0.01 0.00 -0.34 0.00 0.00 43.02 39.70 1wda s PHE 368 CO 0.06 -0.39 0.25 0.34 -1.46 0.00 0.00 175.22 174.02 1wda s ASP 369 N 1.63 6.06 0.47 6.13 2.15 -0.22 -0.80 116.67 132.10 1wda s ASP 369 Ca 0.21 -0.55 -0.22 0.00 0.43 0.00 0.00 52.55 52.42 1wda s ASP 369 Cb -0.15 -2.14 -0.07 0.00 -0.30 0.00 0.00 42.92 40.25 1wda s ASP 369 CO 0.11 -0.29 1.14 -0.55 -0.17 0.00 0.00 175.17 175.41 1wda s SER 370 N 1.71 6.16 0.00 -0.34 0.15 0.32 -4.11 113.70 117.59 1wda s SER 370 Ca 0.06 2.22 0.17 0.00 0.70 0.00 0.00 55.95 59.11 1wda s SER 370 Cb -0.18 -2.59 0.96 0.00 -1.71 0.00 0.00 66.02 62.50 1wda s SER 370 CO 0.10 -0.92 1.49 -0.81 1.20 0.00 0.00 173.24 174.31 1wda n PRO 371 N -0.63 0.39 -0.12 5.44 -0.04 -1.26 -4.05 135.00 134.74 1wda n PRO 371 Ca 0.08 0.07 0.22 0.00 -0.04 0.00 0.00 63.50 63.83 1wda n PRO 371 Cb 0.49 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.09 1wda n PRO 371 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1wda h ARG 372 N 0.00 0.13 -6.62 0.54 0.11 -1.90 -3.46 114.38 103.18 1wda h ARG 372 Ca 0.00 -0.01 -0.52 0.00 0.10 0.00 0.00 59.98 59.55 1wda h ARG 372 Cb 0.08 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.11 1wda h ARG 372 CO 0.00 0.08 -0.95 0.09 0.10 0.00 0.00 179.97 179.30 1wda n ASN 373 N -4.38 -2.49 -0.68 0.08 3.02 -1.26 -5.01 115.26 104.54 1wda n ASN 373 Ca 0.15 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1wda n ASN 373 Cb 0.73 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.31 1wda n ASN 373 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wda n ARG 374 N -4.53 3.54 -0.10 3.52 1.74 -1.26 -4.82 116.66 114.75 1wda n ARG 374 Ca -0.20 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 56.90 1wda n ARG 374 Cb 0.63 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 32.40 1wda n ARG 374 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1wda h GLY 375 N 0.00 0.79 0.61 -0.13 0.00 -1.86 -0.89 103.07 101.60 1wda h GLY 375 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1wda h GLY 375 CO 0.00 0.31 0.00 1.04 0.00 0.00 0.00 176.54 177.89 1wda n LEU 376 N -4.43 0.00 -0.30 3.11 7.99 -1.21 -4.28 117.00 117.89 1wda n LEU 376 Ca 0.05 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.12 1wda n LEU 376 Cb 0.07 0.00 0.17 0.00 -0.11 0.00 0.00 43.42 43.55 1wda n LEU 376 CO 0.36 0.00 0.76 0.50 -1.51 0.00 0.00 177.39 177.50 1wda h LYS 377 N 0.00 0.04 0.00 3.23 3.64 -1.47 0.51 116.57 122.51 1wda h LYS 377 Ca 0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1wda h LYS 377 Cb 0.00 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1wda h LYS 377 CO 0.00 0.02 -0.16 0.93 -2.27 0.00 0.00 179.45 177.98 1wda h GLU 378 N 0.04 0.00 -0.70 1.90 4.39 -1.85 -3.38 114.58 114.97 1wda h GLU 378 Ca 0.46 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.26 1wda h GLU 378 Cb 0.81 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.39 1wda h GLU 378 CO -0.83 0.10 0.32 0.35 -1.16 0.00 0.00 179.01 177.80 1wda h PHE 379 N 0.00 0.57 -0.27 4.33 3.57 -1.22 -0.70 116.94 123.22 1wda h PHE 379 Ca -0.00 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 1wda h PHE 379 Cb 1.08 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1wda h PHE 379 CO 0.00 0.18 -0.42 -1.35 -2.23 0.00 0.00 178.31 174.49 1wda h PRO 380 N 0.54 0.67 -0.09 6.41 0.11 -1.75 -1.40 132.00 136.50 1wda h PRO 380 Ca 0.35 -0.36 -0.22 0.00 0.11 0.00 0.00 66.00 65.88 1wda h PRO 380 Cb 0.41 0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.54 1wda h PRO 380 CO -0.30 0.97 -0.84 -0.84 -0.21 0.00 0.00 178.00 176.79 1wda h ILE 381 N 0.55 1.32 0.06 4.15 -0.00 -1.54 0.71 117.51 122.75 1wda h ILE 381 Ca 0.04 -2.13 -0.33 0.00 -0.00 0.00 0.00 64.86 62.44 1wda h ILE 381 Cb 0.96 2.14 -0.04 0.00 -0.00 0.00 0.00 36.82 39.88 1wda h ILE 381 CO 0.09 0.66 -1.89 0.29 -0.00 0.00 0.00 178.15 177.30 1wda n LYS 382 N -3.87 0.69 -0.06 0.16 5.02 -0.37 -4.32 118.16 115.41 1wda n LYS 382 Ca -0.07 0.27 -0.06 0.00 -2.02 0.00 0.00 58.31 56.42 1wda n LYS 382 Cb 0.77 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1wda n LYS 382 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wda n ARG 383 N -3.24 1.90 -0.13 1.97 5.12 -0.54 -4.81 116.66 116.92 1wda n ARG 383 Ca -0.25 0.01 -0.27 0.00 -1.93 0.00 0.00 57.85 55.40 1wda n ARG 383 Cb 1.05 -1.28 -0.10 0.00 -1.16 0.00 0.00 32.46 30.97 1wda n ARG 383 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1wda n VAL 384 N -2.49 1.53 -1.72 1.55 0.31 -1.11 -4.88 118.33 111.53 1wda n VAL 384 Ca -0.19 -0.29 -0.42 0.00 -0.01 0.00 0.00 64.34 63.42 1wda n VAL 384 Cb 0.85 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 31.83 1wda n VAL 384 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1wda n MET 385 N -4.30 2.30 -3.58 5.55 0.00 0.23 -4.76 117.12 112.56 1wda n MET 385 Ca -0.48 0.81 0.00 0.00 -0.00 0.00 0.00 57.70 58.02 1wda n MET 385 Cb 0.83 -2.46 0.00 0.00 0.00 0.00 0.00 33.22 31.59 1wda n MET 385 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wda n GLY 386 N 1.04 -0.60 3.55 -5.12 0.00 -0.93 -4.78 105.19 98.37 1wda n GLY 386 Ca 0.05 -0.91 -0.54 0.00 0.00 0.00 0.00 46.02 44.63 1wda n GLY 386 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wda n PRO 387 N 0.00 1.14 -2.72 1.61 -0.02 -0.83 -1.52 135.00 132.67 1wda n PRO 387 Ca 0.00 0.37 -0.22 0.00 -2.02 0.00 0.00 63.50 61.63 1wda n PRO 387 Cb 0.00 -2.28 0.01 0.00 -0.02 0.00 0.00 33.50 31.22 1wda n PRO 387 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1wda n ASP 388 N 7.69 -6.05 -3.60 2.55 8.00 -1.26 -4.97 116.55 118.91 1wda n ASP 388 Ca 0.35 -0.16 -0.28 0.00 0.71 0.00 0.00 54.79 55.41 1wda n ASP 388 Cb 0.18 -4.95 -0.16 0.00 -0.02 0.00 0.00 41.12 36.17 1wda n ASP 388 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1wda s PHE 389 N -3.12 0.42 0.90 1.24 5.99 -0.57 -3.91 117.98 118.93 1wda s PHE 389 Ca 0.16 -0.67 -0.12 0.00 0.00 0.00 0.00 56.93 56.29 1wda s PHE 389 Cb -0.07 -0.87 0.13 0.00 0.00 0.00 0.00 43.02 42.22 1wda s PHE 389 CO 0.20 -0.67 1.14 0.20 -0.00 0.00 0.00 175.22 176.09 1wda s GLY 390 N 2.06 1.58 -0.00 13.12 0.00 0.12 -2.19 107.32 122.01 1wda s GLY 390 Ca 0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.22 1wda s GLY 390 CO -0.21 0.01 0.01 -0.47 0.00 0.00 0.00 173.10 172.45 1wda s TYR 391 N -3.31 0.00 0.03 1.90 5.04 0.51 -1.05 117.35 120.48 1wda s TYR 391 Ca 0.64 0.00 -0.10 0.00 -2.44 0.00 0.00 57.07 55.17 1wda s TYR 391 Cb -0.14 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.17 1wda s TYR 391 CO 0.53 -0.02 0.21 0.08 -1.34 0.00 0.00 175.55 175.01 1wda s VAL 392 N -0.09 0.10 0.13 3.14 1.01 -0.52 -4.79 120.40 119.38 1wda s VAL 392 Ca -0.01 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 1wda s VAL 392 Cb -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1wda s VAL 392 CO -0.00 -0.44 0.29 0.28 0.00 0.00 0.00 175.10 175.23 1wda s THR 393 N -2.26 0.09 0.18 3.92 -1.32 -1.26 -1.05 115.64 113.93 1wda s THR 393 Ca -0.07 -1.12 -0.09 0.00 -1.21 0.00 0.00 61.69 59.20 1wda s THR 393 Cb -0.02 -1.51 -0.01 0.00 -1.51 0.00 0.00 72.50 69.44 1wda s THR 393 CO -0.02 -0.42 0.31 -0.13 -2.21 0.00 0.00 174.62 172.15 1wda s ARG 394 N -3.89 1.23 0.00 7.08 1.81 -1.26 -5.00 118.95 118.92 1wda s ARG 394 Ca 0.09 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 1wda s ARG 394 Cb 0.03 0.39 0.00 0.00 -0.45 0.00 0.00 34.95 34.92 1wda s ARG 394 CO -0.06 -0.46 0.00 0.41 -0.68 0.00 0.00 175.30 174.51 1wda n GLY 395 N -0.25 -0.57 3.72 -3.53 0.00 -1.26 -4.10 105.19 99.20 1wda n GLY 395 Ca -0.06 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1wda n GLY 395 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wda s PRO 396 N -2.02 4.44 0.00 1.61 0.04 -1.26 -4.96 135.00 132.85 1wda s PRO 396 Ca 0.00 1.79 0.29 0.00 0.04 0.00 0.00 61.00 63.12 1wda s PRO 396 Cb 0.00 -3.33 1.26 0.00 0.04 0.00 0.00 34.50 32.47 1wda s PRO 396 CO 0.00 -0.23 1.88 1.04 0.04 0.00 0.00 177.00 179.73 1wda n GLN 397 N 3.72 0.58 -0.25 4.56 1.13 -1.26 -4.23 117.38 121.63 1wda n GLN 397 Ca 0.08 -0.17 0.04 0.00 -1.94 0.00 0.00 57.00 55.01 1wda n GLN 397 Cb 0.46 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.37 1wda n GLN 397 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1wda n THR 398 N -1.06 0.78 0.00 5.09 -2.24 -1.26 -4.97 114.28 110.62 1wda n THR 398 Ca 0.14 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1wda n THR 398 Cb 0.27 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1wda n THR 398 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wda n GLY 399 N -0.58 1.60 1.83 3.38 0.00 -1.26 -5.06 105.19 105.10 1wda n GLY 399 Ca 0.06 -1.58 -0.00 0.00 0.00 0.00 0.00 46.02 44.50 1wda n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wda n GLY 400 N -1.60 0.57 3.37 -0.02 0.00 -1.26 -4.71 105.19 101.54 1wda n GLY 400 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 1wda n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wda s ILE 401 N -2.35 2.21 0.44 -0.61 1.09 -1.26 -4.90 121.20 115.82 1wda s ILE 401 Ca 0.00 -1.65 0.04 0.00 -1.10 0.00 0.00 60.65 57.94 1wda s ILE 401 Cb -0.00 -1.94 -0.04 0.00 -1.06 0.00 0.00 42.46 39.42 1wda s ILE 401 CO 0.00 0.16 0.03 -0.94 -0.10 0.00 0.00 174.94 174.10 1wda s SER 402 N -1.82 3.60 0.59 3.58 1.04 -1.26 -5.02 113.70 114.40 1wda s SER 402 Ca 0.13 -1.54 0.39 0.00 0.48 0.00 0.00 55.95 55.41 1wda s SER 402 Cb -0.10 0.19 2.05 0.00 0.10 0.00 0.00 66.02 68.25 1wda s SER 402 CO 0.05 -0.72 2.19 1.23 0.98 0.00 0.00 173.24 176.97 1wda h GLY 403 N 1.64 0.00 1.48 7.32 0.00 -1.91 -1.84 103.07 109.76 1wda h GLY 403 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1wda h GLY 403 CO 0.72 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.30 1wda n LEU 404 N -2.94 0.00 0.00 3.11 4.77 -1.26 -2.53 117.00 118.15 1wda n LEU 404 Ca -0.02 0.24 0.13 0.00 -0.03 0.00 0.00 56.01 56.33 1wda n LEU 404 Cb 0.11 -0.24 0.40 0.00 -2.33 0.00 0.00 43.42 41.36 1wda n LEU 404 CO 0.20 -0.01 0.67 0.47 -1.33 0.00 0.00 177.39 177.38 1wda n ASP 405 N -1.24 0.30 -4.79 -1.43 9.92 -0.69 -4.38 116.55 114.25 1wda n ASP 405 Ca 0.15 0.08 -0.37 0.00 -0.53 0.00 0.00 54.79 54.13 1wda n ASP 405 Cb 0.21 -0.08 -0.06 0.00 -0.64 0.00 0.00 41.12 40.54 1wda n ASP 405 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1wda s SER 406 N -3.06 7.29 -0.04 -2.24 1.04 -1.05 -4.58 113.70 111.06 1wda s SER 406 Ca 0.12 1.81 0.10 0.00 0.48 0.00 0.00 55.95 58.46 1wda s SER 406 Cb 0.18 -2.57 0.37 0.00 0.10 0.00 0.00 66.02 64.09 1wda s SER 406 CO 0.63 -0.09 1.23 0.49 0.98 0.00 0.00 173.24 176.47 1wda n PHE 407 N 0.45 0.71 0.21 5.02 0.99 0.81 -1.79 117.46 123.87 1wda n PHE 407 Ca 0.02 -0.30 0.07 0.00 -0.00 0.00 0.00 57.45 57.25 1wda n PHE 407 Cb 0.50 -0.12 0.48 0.00 -1.00 0.00 0.00 39.48 39.35 1wda n PHE 407 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1wda h GLY 408 N 4.93 0.00 -0.88 1.37 0.00 -1.80 -2.38 103.07 104.31 1wda h GLY 408 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wda h GLY 408 CO 0.09 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.62 1wda n ASN 409 N -3.78 1.17 -3.86 0.19 5.15 -0.74 -2.61 115.26 110.79 1wda n ASN 409 Ca -0.01 -2.07 -0.29 0.00 -0.60 0.00 0.00 54.58 51.61 1wda n ASN 409 Cb 0.37 -0.26 -0.16 0.00 -0.53 0.00 0.00 39.78 39.20 1wda n ASN 409 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1wda s LEU 410 N -0.81 2.08 0.37 1.20 2.96 -0.90 -3.36 118.68 120.22 1wda s LEU 410 Ca 0.09 -1.07 0.05 0.00 -0.22 0.00 0.00 54.13 52.98 1wda s LEU 410 Cb 0.06 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 1wda s LEU 410 CO 0.05 -0.27 0.18 -1.61 -1.32 0.00 0.00 176.35 173.38 1wda s GLU 411 N 1.57 1.82 0.01 1.98 0.41 -0.65 -4.96 118.70 118.88 1wda s GLU 411 Ca -0.03 -2.08 -0.03 0.00 -0.41 0.00 0.00 54.97 52.41 1wda s GLU 411 Cb -0.18 -0.22 -0.01 0.00 -1.78 0.00 0.00 34.13 31.94 1wda s GLU 411 CO -0.07 -0.53 0.04 0.08 -0.49 0.00 0.00 175.26 174.28 1wda s VAL 412 N -3.35 0.08 0.62 2.63 1.01 -1.26 -0.90 120.40 119.23 1wda s VAL 412 Ca 0.31 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1wda s VAL 412 Cb 0.03 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1wda s VAL 412 CO 0.19 -0.38 0.94 -0.94 0.00 0.00 0.00 175.10 174.91 1wda s SER 413 N -1.19 5.46 0.86 3.32 1.04 -0.12 -4.51 113.70 118.56 1wda s SER 413 Ca -0.13 0.72 -0.11 0.00 0.48 0.00 0.00 55.95 56.91 1wda s SER 413 Cb -0.08 -1.64 0.11 0.00 0.10 0.00 0.00 66.02 64.51 1wda s SER 413 CO -0.00 -1.17 1.09 -2.84 0.98 0.00 0.00 173.24 171.30 1wda s PRO 414 N -5.07 1.55 0.28 4.02 0.02 -1.26 -3.88 135.00 130.66 1wda s PRO 414 Ca 0.55 0.78 -0.28 0.00 0.02 0.00 0.00 61.00 62.08 1wda s PRO 414 Cb -0.11 -1.85 -0.15 0.00 0.02 0.00 0.00 34.50 32.42 1wda s PRO 414 CO 0.46 -2.03 0.85 -2.30 -0.33 0.00 0.00 177.00 173.65 1wda n PRO 415 N -3.73 0.94 -3.64 5.54 -0.02 -1.26 -4.22 135.00 128.61 1wda n PRO 415 Ca 0.07 0.33 -0.14 0.00 -2.02 0.00 0.00 63.50 61.74 1wda n PRO 415 Cb 0.55 -1.60 -0.07 0.00 -0.02 0.00 0.00 33.50 32.36 1wda n PRO 415 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wda s VAL 416 N -1.07 0.00 -0.11 -1.45 0.11 -0.99 -4.90 120.40 111.98 1wda s VAL 416 Ca 0.60 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 1wda s VAL 416 Cb -0.75 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.14 1wda s VAL 416 CO 0.59 -0.00 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.37 1wda s THR 417 N 0.23 3.38 -0.36 5.04 2.01 -1.26 -0.36 115.64 124.32 1wda s THR 417 Ca -0.01 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1wda s THR 417 Cb -0.04 -2.41 0.11 0.00 0.01 0.00 0.00 72.50 70.17 1wda s THR 417 CO 0.02 0.55 0.11 -0.69 -0.69 0.00 0.00 174.62 173.92 1wda s VAL 418 N -0.13 1.78 -1.10 3.82 1.01 0.17 -4.55 120.40 121.40 1wda s VAL 418 Ca 0.00 -2.21 -0.18 0.00 0.00 0.00 0.00 61.98 59.60 1wda s VAL 418 Cb -0.13 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1wda s VAL 418 CO 0.03 -0.68 0.80 0.54 0.00 0.00 0.00 175.10 175.78 1wda n ARG 419 N 4.21 -1.32 0.00 2.72 1.74 -1.26 -1.95 116.66 120.80 1wda n ARG 419 Ca 0.03 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1wda n ARG 419 Cb 0.40 -4.27 0.00 0.00 -1.02 0.00 0.00 32.46 27.57 1wda n ARG 419 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wda n GLY 420 N -1.64 1.68 3.66 -0.13 0.00 -1.26 -5.01 105.19 102.49 1wda n GLY 420 Ca -0.09 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1wda n GLY 420 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wda s LYS 421 N 0.00 4.21 0.03 1.61 2.20 -0.82 -4.99 119.74 121.97 1wda s LYS 421 Ca 0.00 1.66 -0.23 0.00 -0.36 0.00 0.00 55.97 57.04 1wda s LYS 421 Cb 0.00 -3.78 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 1wda s LYS 421 CO 0.00 -0.74 0.70 -2.00 -0.36 0.00 0.00 175.35 172.95 1wda s GLU 422 N 3.57 4.43 -0.65 4.03 2.12 -1.26 -0.66 118.70 130.27 1wda s GLU 422 Ca 0.56 0.94 0.04 0.00 0.36 0.00 0.00 54.97 56.86 1wda s GLU 422 Cb -0.22 -3.36 0.16 0.00 0.26 0.00 0.00 34.13 30.98 1wda s GLU 422 CO 0.16 0.32 0.43 0.71 -0.54 0.00 0.00 175.26 176.34 1wda s TYR 423 N -0.11 3.46 -1.52 5.30 1.51 0.52 -4.94 117.35 121.57 1wda s TYR 423 Ca 0.36 -3.27 0.27 0.00 -1.01 0.00 0.00 57.07 53.42 1wda s TYR 423 Cb -0.20 -2.78 1.40 0.00 -0.11 0.00 0.00 41.96 40.27 1wda s TYR 423 CO 0.21 -0.62 1.92 -0.35 -1.11 0.00 0.00 175.55 175.60 1wda n PRO 424 N 2.37 0.46 -0.18 -1.71 -0.04 -1.26 -1.04 135.00 133.59 1wda n PRO 424 Ca 0.15 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 1wda n PRO 424 Cb 0.34 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.45 1wda n PRO 424 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1wda n LEU 425 N -1.24 2.83 0.00 1.53 4.77 -1.26 -4.68 117.00 118.95 1wda n LEU 425 Ca 0.14 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 1wda n LEU 425 Cb 0.19 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1wda n LEU 425 CO 0.20 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1wda n GLY 426 N -0.52 -0.19 2.76 -0.72 0.00 -0.21 -4.72 105.19 101.58 1wda n GLY 426 Ca 0.13 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 1wda n GLY 426 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wda s ARG 427 N 0.00 -0.04 0.34 1.61 6.06 -1.25 -4.36 118.95 121.32 1wda s ARG 427 Ca 0.00 0.28 -0.29 0.00 -2.50 0.00 0.00 55.73 53.22 1wda s ARG 427 Cb 0.00 -0.32 -0.11 0.00 0.06 0.00 0.00 34.95 34.58 1wda s ARG 427 CO 0.00 -0.22 1.41 0.42 -2.50 0.00 0.00 175.30 174.41 1wda s ILE 428 N 1.46 2.38 -0.11 4.11 1.01 -0.45 -0.94 121.20 128.66 1wda s ILE 428 Ca -0.04 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.01 1wda s ILE 428 Cb -0.13 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.11 1wda s ILE 428 CO -0.03 0.09 -0.19 -0.76 0.00 0.00 0.00 174.94 174.05 1wda s LEU 429 N -1.77 1.90 0.04 2.97 1.02 -0.08 -0.06 118.68 122.71 1wda s LEU 429 Ca 0.52 -0.49 -0.06 0.00 0.02 0.00 0.00 54.13 54.13 1wda s LEU 429 Cb -0.43 -1.22 -0.01 0.00 0.02 0.00 0.00 46.19 44.54 1wda s LEU 429 CO 0.57 0.07 0.10 0.72 0.02 0.00 0.00 176.35 177.82 1wda s PHE 430 N 0.73 0.22 -0.04 0.29 -0.12 -0.83 -1.63 117.98 116.60 1wda s PHE 430 Ca -0.11 -0.56 -0.15 0.00 -0.05 0.00 0.00 56.93 56.06 1wda s PHE 430 Cb -0.16 -0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.02 1wda s PHE 430 CO 0.02 -0.39 0.40 0.20 -0.05 0.00 0.00 175.22 175.40 1wda s GLY 431 N -2.27 2.43 0.33 1.99 0.00 -1.21 -0.77 107.32 107.82 1wda s GLY 431 Ca -0.03 -0.25 0.06 0.00 0.00 0.00 0.00 44.72 44.50 1wda s GLY 431 CO -0.06 0.26 0.21 1.34 0.00 0.00 0.00 173.10 174.85 1wda n ASP 432 N 2.27 0.06 -4.76 1.64 -0.08 0.18 -4.30 116.55 111.56 1wda n ASP 432 Ca -0.13 -3.02 -0.26 0.00 -1.51 0.00 0.00 54.79 49.87 1wda n ASP 432 Cb 0.52 1.32 0.09 0.00 2.34 0.00 0.00 41.12 45.40 1wda n ASP 432 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1wda s SER 433 N -3.22 4.47 0.13 1.67 1.04 -1.20 -0.89 113.70 115.71 1wda s SER 433 Ca 0.30 0.29 0.11 0.00 0.48 0.00 0.00 55.95 57.13 1wda s SER 433 Cb 0.01 -0.81 -0.14 0.00 0.10 0.00 0.00 66.02 65.19 1wda s SER 433 CO 0.21 -1.82 1.20 0.00 0.98 0.00 0.00 173.24 173.81 1wda s TYR 435 N -2.77 -0.03 -0.12 0.00 -0.85 -1.26 -5.14 117.35 107.17 1wda s TYR 435 Ca 0.01 -0.13 -0.30 0.00 -0.52 0.00 0.00 57.07 56.13 1wda s TYR 435 Cb 0.09 0.03 -0.01 0.00 0.38 0.00 0.00 41.96 42.45 1wda s TYR 435 CO 0.80 -0.46 1.10 -1.25 -1.52 0.00 0.00 175.55 174.23 1wda s PRO 436 N -2.45 4.35 0.34 -3.49 0.04 -1.26 -4.90 135.00 127.63 1wda s PRO 436 Ca -0.06 1.50 0.04 0.00 0.04 0.00 0.00 61.00 62.52 1wda s PRO 436 Cb -0.01 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 1wda s PRO 436 CO -0.03 -0.46 0.13 -1.13 0.04 0.00 0.00 177.00 175.55 1wda n SER 437 N 5.50 1.03 0.16 6.66 3.41 -1.26 -5.01 113.62 124.11 1wda n SER 437 Ca 0.11 -2.84 0.06 0.00 -0.26 0.00 0.00 58.87 55.94 1wda n SER 437 Cb 0.47 0.92 0.55 0.00 -0.26 0.00 0.00 64.21 65.89 1wda n SER 437 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1wda h ASN 438 N 1.41 0.17 -0.02 4.04 4.21 -2.06 -2.87 115.58 120.46 1wda h ASN 438 Ca -0.26 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.24 1wda h ASN 438 Cb 1.03 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.19 1wda h ASN 438 CO 0.41 0.14 -0.30 0.47 -1.29 0.00 0.00 177.43 176.87 1wda n ASP 439 N -4.50 2.32 -4.85 5.81 10.43 -1.26 -4.98 116.55 119.52 1wda n ASP 439 Ca -0.01 -1.66 -0.34 0.00 2.57 0.00 0.00 54.79 55.35 1wda n ASP 439 Cb 0.09 0.31 -0.06 0.00 1.84 0.00 0.00 41.12 43.30 1wda n ASP 439 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1wda s SER 440 N -2.24 6.80 0.17 -2.24 1.04 -1.09 -5.09 113.70 111.05 1wda s SER 440 Ca 0.21 1.12 0.06 0.00 0.48 0.00 0.00 55.95 57.82 1wda s SER 440 Cb 0.18 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1wda s SER 440 CO 0.46 -0.01 0.07 -0.13 0.98 0.00 0.00 173.24 174.61 1wda s ARG 441 N -2.38 2.67 0.05 4.02 0.52 -1.26 -4.76 118.95 117.82 1wda s ARG 441 Ca 0.44 -0.97 -0.05 0.00 -0.52 0.00 0.00 55.73 54.62 1wda s ARG 441 Cb -0.13 -2.52 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 1wda s ARG 441 CO 0.20 0.47 0.09 1.14 0.02 0.00 0.00 175.30 177.22 1wda s GLN 442 N -3.01 0.66 0.49 3.54 -2.07 -1.26 -3.25 119.66 114.75 1wda s GLN 442 Ca 0.29 -0.91 -0.23 0.00 -1.82 0.00 0.00 55.36 52.69 1wda s GLN 442 Cb -0.10 0.25 -0.07 0.00 -1.09 0.00 0.00 33.01 32.01 1wda s GLN 442 CO 0.21 -0.17 1.28 1.41 -1.32 0.00 0.00 175.29 176.70 1wda s MET 443 N -3.22 3.53 0.40 9.60 -2.45 -1.26 -4.64 119.30 121.26 1wda s MET 443 Ca 0.00 2.06 -0.27 0.00 -1.25 0.00 0.00 55.69 56.23 1wda s MET 443 Cb 0.02 -2.41 -0.09 0.00 1.25 0.00 0.00 34.83 33.60 1wda s MET 443 CO -0.07 -0.82 1.40 -1.58 1.05 0.00 0.00 175.02 175.00 1wda s HIS 444 N -1.38 2.66 0.38 4.11 2.46 -1.26 -4.81 115.29 117.45 1wda s HIS 444 Ca 0.66 1.29 0.06 0.00 0.47 0.00 0.00 55.06 57.53 1wda s HIS 444 Cb -0.36 -3.86 0.77 0.00 -0.13 0.00 0.00 32.58 28.99 1wda s HIS 444 CO 0.43 -2.62 2.02 0.37 -2.47 0.00 0.00 174.74 172.47 1wda h GLN 445 N 2.76 0.68 -0.38 2.88 5.75 -1.98 -0.87 115.11 123.94 1wda h GLN 445 Ca -0.50 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 57.93 1wda h GLN 445 Cb 1.25 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 1wda h GLN 445 CO 0.63 0.45 0.13 0.00 -2.65 0.00 0.00 178.83 177.38 1wda h ALA 446 N 1.66 1.51 -0.23 3.38 0.00 -1.99 0.11 119.26 123.71 1wda h ALA 446 Ca 0.22 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1wda h ALA 446 Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1wda h ALA 446 CO -0.06 0.37 -0.59 -0.07 0.00 0.00 0.00 179.25 178.91 1wda h LEU 447 N 0.54 0.91 -0.24 0.00 3.38 -1.53 -2.24 115.31 116.12 1wda h LEU 447 Ca 0.13 -0.57 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1wda h LEU 447 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1wda h LEU 447 CO -0.01 1.31 -0.07 1.56 0.09 0.00 0.00 178.44 181.32 1wda h GLN 448 N 0.54 0.47 -0.74 1.13 4.20 -0.87 -1.39 115.11 118.44 1wda h GLN 448 Ca -0.01 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1wda h GLN 448 Cb 1.20 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.92 1wda h GLN 448 CO 0.13 0.71 0.48 -0.44 -0.67 0.00 0.00 178.83 179.03 1wda h ASP 449 N 0.20 0.87 -0.28 1.46 3.32 -0.87 -1.27 116.42 119.85 1wda h ASP 449 Ca 0.06 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1wda h ASP 449 Cb 0.54 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1wda h ASP 449 CO 0.03 0.65 0.17 0.15 -1.72 0.00 0.00 179.24 178.52 1wda h PHE 450 N 1.01 0.36 -0.50 4.55 3.57 -1.03 -0.83 116.94 124.07 1wda h PHE 450 Ca 0.27 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1wda h PHE 450 Cb -0.09 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1wda h PHE 450 CO -0.02 0.26 0.27 -0.07 -2.23 0.00 0.00 178.31 176.52 1wda h LEU 451 N 0.36 0.63 -0.93 0.59 3.38 -0.88 -2.12 115.31 116.34 1wda h LEU 451 Ca 0.10 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1wda h LEU 451 Cb -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1wda h LEU 451 CO -0.02 0.54 -0.35 0.28 0.09 0.00 0.00 178.44 178.98 1wda h SER 452 N 0.66 0.36 0.92 -0.43 0.02 -1.21 -2.72 113.55 111.15 1wda h SER 452 Ca 0.18 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1wda h SER 452 Cb 0.05 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1wda h SER 452 CO -0.03 0.69 0.00 0.00 -1.14 0.00 0.00 176.83 176.36 1wda h ALA 453 N 1.33 1.00 0.00 3.77 0.00 -0.50 -1.82 119.26 123.04 1wda h ALA 453 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wda h ALA 453 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wda h ALA 453 CO 0.06 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.27 1wda h GLN 454 N 0.00 0.00 -6.67 0.00 1.08 -1.11 -3.43 115.11 104.98 1wda h GLN 454 Ca 0.00 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.73 1wda h GLN 454 Cb 0.46 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.76 1wda h GLN 454 CO 0.00 0.00 -0.74 1.04 -0.95 0.00 0.00 178.83 178.18 1wda n GLN 455 N -2.88 -0.85 0.00 1.46 6.02 -0.69 -4.67 117.38 115.77 1wda n GLN 455 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1wda n GLN 455 Cb 0.25 -2.50 0.00 0.00 1.02 0.00 0.00 30.24 29.01 1wda n GLN 455 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1wda n VAL 456 N -3.78 0.00 -2.44 5.09 0.24 -1.26 -4.83 118.33 111.35 1wda n VAL 456 Ca -0.22 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.87 1wda n VAL 456 Cb 0.51 0.64 0.01 0.00 -1.47 0.00 0.00 33.84 33.54 1wda n VAL 456 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wda n GLN 457 N 0.00 2.95 0.00 7.34 6.02 -1.26 -4.58 117.38 127.85 1wda n GLN 457 Ca 0.00 -4.15 0.00 0.00 -0.01 0.00 0.00 57.00 52.84 1wda n GLN 457 Cb 0.00 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.23 1wda n GLN 457 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wda n ALA 458 N -0.46 0.00 -1.51 -1.58 0.00 -1.26 -1.35 120.51 114.35 1wda n ALA 458 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.37 1wda n ALA 458 Cb 0.76 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.24 1wda n ALA 458 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wda n PRO 459 N 0.00 0.75 -4.29 0.00 -0.02 -1.26 -4.58 135.00 125.60 1wda n PRO 459 Ca 0.00 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 1wda n PRO 459 Cb 0.00 -1.79 -0.16 0.00 -0.02 0.00 0.00 33.50 31.53 1wda n PRO 459 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wda s VAL 460 N -1.54 2.01 -0.12 -1.45 1.01 0.92 -4.94 120.40 116.29 1wda s VAL 460 Ca 0.67 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1wda s VAL 460 Cb -0.50 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1wda s VAL 460 CO 0.55 0.53 1.15 -0.54 0.00 0.00 0.00 175.10 176.79 1wda s LYS 461 N 1.15 4.33 0.39 2.72 1.02 -1.26 -1.97 119.74 126.12 1wda s LYS 461 Ca 0.01 1.57 0.08 0.00 0.02 0.00 0.00 55.97 57.64 1wda s LYS 461 Cb -0.14 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 1wda s LYS 461 CO -0.09 -0.50 0.22 -0.51 -0.92 0.00 0.00 175.35 173.54 1wda s LEU 462 N 2.60 3.22 -0.47 3.17 1.43 0.05 -4.95 118.68 123.72 1wda s LEU 462 Ca 0.52 -0.92 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 1wda s LEU 462 Cb -0.21 -1.66 0.07 0.00 0.03 0.00 0.00 46.19 44.42 1wda s LEU 462 CO 0.17 -0.51 0.40 -0.47 0.23 0.00 0.00 176.35 176.18 1wda s TYR 463 N -2.53 3.24 0.00 0.29 6.04 -1.26 0.48 117.35 123.61 1wda s TYR 463 Ca 0.42 -0.90 0.00 0.00 0.04 0.00 0.00 57.07 56.63 1wda s TYR 463 Cb 0.01 -3.17 0.00 0.00 -1.04 0.00 0.00 41.96 37.76 1wda s TYR 463 CO 0.24 -0.80 0.15 -1.13 -1.54 0.00 0.00 175.55 172.47 1wda n SER 464 N 5.24 0.30 0.10 4.32 3.41 -0.06 -4.81 113.62 122.12 1wda n SER 464 Ca -0.12 -0.64 0.11 0.00 -0.26 0.00 0.00 58.87 57.97 1wda n SER 464 Cb 0.44 0.63 0.46 0.00 -0.26 0.00 0.00 64.21 65.47 1wda n SER 464 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1wda n ASP 465 N -0.63 0.56 0.08 4.04 4.64 -1.04 -2.14 116.55 122.06 1wda n ASP 465 Ca 0.00 0.63 0.09 0.00 -1.38 0.00 0.00 54.79 54.13 1wda n ASP 465 Cb 0.01 -0.75 0.40 0.00 -1.04 0.00 0.00 41.12 39.74 1wda n ASP 465 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 1wda n TRP 466 N -2.10 0.45 -3.20 -0.67 4.27 -1.26 -4.72 117.44 110.21 1wda n TRP 466 Ca 0.03 0.19 -0.38 0.00 -3.89 0.00 0.00 57.50 53.44 1wda n TRP 466 Cb 0.24 -0.80 -0.06 0.00 -1.36 0.00 0.00 31.31 29.33 1wda n TRP 466 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 1wda s LEU 467 N -3.84 4.50 0.15 5.67 1.43 -0.91 -0.88 118.68 124.79 1wda s LEU 467 Ca 0.04 1.34 -0.23 0.00 -1.03 0.00 0.00 54.13 54.25 1wda s LEU 467 Cb 0.09 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 43.21 1wda s LEU 467 CO 0.30 0.21 1.62 -1.28 0.23 0.00 0.00 176.35 177.43 1wda h SER 468 N 4.22 -0.89 0.06 2.29 0.87 -1.29 -3.08 113.55 115.74 1wda h SER 468 Ca -0.49 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1wda h SER 468 Cb 1.21 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1wda h SER 468 CO 0.64 -0.31 -0.03 0.58 -0.53 0.00 0.00 176.83 177.18 1wda h VAL 469 N -0.29 1.22 -0.02 2.23 2.07 -1.93 -3.49 116.25 116.05 1wda h VAL 469 Ca 0.13 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1wda h VAL 469 Cb 0.50 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1wda h VAL 469 CO -0.40 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.14 1wda n GLY 470 N 0.81 1.58 3.50 2.17 0.00 -1.16 -4.57 105.19 107.52 1wda n GLY 470 Ca -0.08 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1wda n GLY 470 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wda s HIS 471 N -2.02 2.74 0.60 1.61 3.76 -1.26 -4.62 115.29 116.10 1wda s HIS 471 Ca 0.00 -0.13 0.30 0.00 -0.15 0.00 0.00 55.06 55.08 1wda s HIS 471 Cb 0.00 -1.63 1.70 0.00 1.11 0.00 0.00 32.58 33.76 1wda s HIS 471 CO 0.00 0.22 2.10 -0.39 -0.85 0.00 0.00 174.74 175.82 1wda h VAL 472 N 4.27 0.41 0.00 -0.90 -1.51 -1.83 -1.55 116.25 115.14 1wda h VAL 472 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1wda h VAL 472 Cb 1.16 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1wda h VAL 472 CO 0.51 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 175.95 1wda n ASP 473 N -3.69 0.00 0.02 4.19 3.85 -1.07 -2.03 116.55 117.81 1wda n ASP 473 Ca 0.01 -0.46 0.13 0.00 -0.71 0.00 0.00 54.79 53.76 1wda n ASP 473 Cb 0.32 -0.13 0.35 0.00 -1.35 0.00 0.00 41.12 40.31 1wda n ASP 473 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1wda n GLU 474 N -1.13 0.08 0.00 0.11 1.02 -0.58 -4.07 120.64 116.07 1wda n GLU 474 Ca 0.16 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1wda n GLU 474 Cb 0.14 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1wda n GLU 474 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1wda n PHE 475 N -1.69 0.00 -4.12 -0.32 1.16 -0.94 -4.83 117.46 106.72 1wda n PHE 475 Ca 0.05 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.49 1wda n PHE 475 Cb 0.37 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.12 1wda n PHE 475 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 1wda s LEU 476 N -0.67 2.32 0.16 5.98 0.05 -0.86 -1.52 118.68 124.14 1wda s LEU 476 Ca 0.00 -0.67 -0.09 0.00 0.05 0.00 0.00 54.13 53.42 1wda s LEU 476 Cb 0.00 -0.26 -0.01 0.00 -2.05 0.00 0.00 46.19 43.87 1wda s LEU 476 CO 0.00 -0.22 0.28 -0.55 -0.55 0.00 0.00 176.35 175.31 1wda s SER 477 N -1.97 0.04 0.09 1.48 0.15 -0.65 -4.50 113.70 108.35 1wda s SER 477 Ca -0.02 -0.85 0.10 0.00 0.70 0.00 0.00 55.95 55.88 1wda s SER 477 Cb -0.07 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1wda s SER 477 CO 0.00 -0.88 -0.27 -0.36 1.20 0.00 0.00 173.24 172.94 1wda s PHE 478 N -3.96 2.32 0.07 3.44 0.40 -1.26 -1.00 117.98 117.99 1wda s PHE 478 Ca 0.16 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 1wda s PHE 478 Cb 0.03 -1.32 -0.03 0.00 0.51 0.00 0.00 43.02 42.22 1wda s PHE 478 CO -0.01 0.24 -0.10 0.14 0.70 0.00 0.00 175.22 176.20 1wda s VAL 479 N -0.94 0.79 0.82 -0.44 -7.23 -0.63 -4.74 120.40 108.03 1wda s VAL 479 Ca 0.13 -1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 58.80 1wda s VAL 479 Cb -0.10 -1.05 0.09 0.00 0.56 0.00 0.00 36.38 35.88 1wda s VAL 479 CO 0.04 -0.46 1.12 -2.84 -0.31 0.00 0.00 175.10 172.65 1wda s PRO 480 N -2.24 1.76 -0.05 4.82 0.02 -1.26 -1.01 135.00 137.04 1wda s PRO 480 Ca -0.01 1.37 -0.26 0.00 0.02 0.00 0.00 61.00 62.11 1wda s PRO 480 Cb -0.06 -1.83 0.06 0.00 0.02 0.00 0.00 34.50 32.69 1wda s PRO 480 CO 0.00 -2.05 0.57 0.00 -0.33 0.00 0.00 177.00 175.20 1wda s ALA 481 N -2.73 -1.48 -2.12 -1.55 0.00 -0.92 -4.52 121.76 108.45 1wda s ALA 481 Ca 0.64 1.06 0.20 0.00 0.00 0.00 0.00 51.96 53.87 1wda s ALA 481 Cb -0.20 -0.03 1.01 0.00 0.00 0.00 0.00 23.12 23.90 1wda s ALA 481 CO 0.56 -0.34 1.67 -0.35 0.00 0.00 0.00 175.76 177.30 1wda n PRO 482 N 1.10 1.29 -4.32 0.00 -0.04 -1.26 -3.94 135.00 127.83 1wda n PRO 482 Ca -0.19 -0.43 -0.20 0.00 -0.04 0.00 0.00 63.50 62.63 1wda n PRO 482 Cb 0.57 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 1wda n PRO 482 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1wda s ASP 483 N -1.61 1.72 0.00 3.54 3.84 -1.26 -4.93 116.67 117.98 1wda s ASP 483 Ca 0.31 -1.71 0.00 0.00 -0.00 0.00 0.00 52.55 51.15 1wda s ASP 483 Cb 0.15 0.53 0.00 0.00 -1.38 0.00 0.00 42.92 42.22 1wda s ASP 483 CO 0.24 -1.02 0.00 -2.11 -0.00 0.00 0.00 175.17 172.28 1wda n ARG 484 N -0.64 -0.33 0.00 2.11 -4.01 -1.26 -0.87 116.66 111.67 1wda n ARG 484 Ca 0.05 -0.16 0.00 0.00 -1.04 0.00 0.00 57.85 56.69 1wda n ARG 484 Cb 0.63 0.29 0.00 0.00 -3.04 0.00 0.00 32.46 30.34 1wda n ARG 484 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1wda n LYS 485 N -0.62 0.00 -0.01 2.89 5.02 -1.26 -4.60 118.16 119.59 1wda n LYS 485 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wda n LYS 485 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1wda n LYS 485 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wda n GLY 486 N -0.65 1.00 3.69 0.72 0.00 -0.04 -4.99 105.19 104.91 1wda n GLY 486 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1wda n GLY 486 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wda s PHE 487 N -2.00 -0.28 -0.03 1.61 -0.12 -1.25 -2.16 117.98 113.75 1wda s PHE 487 Ca 0.00 -0.05 0.06 0.00 -0.05 0.00 0.00 56.93 56.89 1wda s PHE 487 Cb 0.00 0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 43.02 1wda s PHE 487 CO 0.00 -0.98 -0.20 1.03 -0.05 0.00 0.00 175.22 175.02 1wda s ARG 488 N -3.65 1.80 -0.15 1.99 1.81 -0.18 -4.73 118.95 115.84 1wda s ARG 488 Ca 0.08 -0.72 -0.29 0.00 -1.72 0.00 0.00 55.73 53.08 1wda s ARG 488 Cb -0.03 -1.66 -0.01 0.00 -0.45 0.00 0.00 34.95 32.80 1wda s ARG 488 CO -0.01 0.38 1.07 -1.17 -0.68 0.00 0.00 175.30 174.90 1wda s LEU 489 N -0.30 4.19 -0.19 2.53 0.20 -0.18 -1.61 118.68 123.32 1wda s LEU 489 Ca 0.03 1.54 -0.14 0.00 0.69 0.00 0.00 54.13 56.25 1wda s LEU 489 Cb -0.10 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.07 1wda s LEU 489 CO 0.01 -0.58 0.31 -0.76 -0.29 0.00 0.00 176.35 175.03 1wda s LEU 490 N 2.62 4.19 -0.03 -0.68 1.43 -0.17 -0.91 118.68 125.13 1wda s LEU 490 Ca 0.49 0.45 0.05 0.00 -1.03 0.00 0.00 54.13 54.08 1wda s LEU 490 Cb -0.18 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 1wda s LEU 490 CO 0.14 0.03 -0.18 -0.76 0.23 0.00 0.00 176.35 175.82 1wda s LEU 491 N 0.86 2.55 0.56 1.79 1.43 -0.79 -1.64 118.68 123.43 1wda s LEU 491 Ca 0.16 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 1wda s LEU 491 Cb -0.14 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 1wda s LEU 491 CO 0.05 0.33 1.24 0.00 0.23 0.00 0.00 176.35 178.20 1wda n ALA 492 N 2.28 1.11 -3.34 4.21 0.00 -0.57 -1.30 120.51 122.90 1wda n ALA 492 Ca -0.17 0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1wda n ALA 492 Cb 0.52 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.62 1wda n ALA 492 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wda s SER 493 N -1.01 0.85 0.35 0.00 0.15 -0.12 -4.76 113.70 109.15 1wda s SER 493 Ca 0.73 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.89 1wda s SER 493 Cb -0.43 0.89 0.64 0.00 -1.71 0.00 0.00 66.02 65.42 1wda s SER 493 CO 0.48 -0.37 1.98 -0.65 1.20 0.00 0.00 173.24 175.89 1wda h PRO 494 N 8.20 0.75 -0.75 5.44 0.11 -1.70 -1.53 132.00 142.51 1wda h PRO 494 Ca -0.10 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 66.00 1wda h PRO 494 Cb 1.10 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.00 1wda h PRO 494 CO 0.29 0.54 0.44 -0.09 -0.21 0.00 0.00 178.00 178.97 1wda h ARG 495 N 0.76 0.78 -0.11 1.05 2.43 -1.89 -1.83 114.38 115.57 1wda h ARG 495 Ca 0.20 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1wda h ARG 495 Cb -0.00 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1wda h ARG 495 CO -0.03 0.51 -0.26 1.03 -1.51 0.00 0.00 179.97 179.71 1wda h SER 496 N 0.80 0.19 0.11 -3.80 0.87 -1.86 -1.07 113.55 108.78 1wda h SER 496 Ca 0.33 -0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.59 1wda h SER 496 Cb 0.19 -0.05 0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1wda h SER 496 CO -0.18 0.45 -1.03 0.00 -0.53 0.00 0.00 176.83 175.54 1wda h TYR 498 N 0.05 0.55 -0.16 0.00 -1.99 -1.28 -0.36 116.97 113.77 1wda h TYR 498 Ca -0.16 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.60 1wda h TYR 498 Cb 1.75 -0.17 -0.05 0.00 2.00 0.00 0.00 36.73 40.26 1wda h TYR 498 CO 0.14 0.44 -0.14 -0.22 -0.00 0.00 0.00 178.16 178.39 1wda h LYS 499 N 0.49 -0.14 -0.83 4.88 3.64 -1.25 0.46 116.57 123.83 1wda h LYS 499 Ca 0.14 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1wda h LYS 499 Cb 0.09 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1wda h LYS 499 CO -0.02 -0.10 0.53 1.25 -2.27 0.00 0.00 179.45 178.85 1wda h LEU 500 N -0.15 0.89 -0.06 5.20 6.46 -1.10 -0.88 115.31 125.67 1wda h LEU 500 Ca 0.10 -0.01 -0.21 0.00 -0.12 0.00 0.00 57.88 57.65 1wda h LEU 500 Cb 0.30 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1wda h LEU 500 CO -0.25 0.62 -0.78 -0.26 -0.62 0.00 0.00 178.44 177.14 1wda h PHE 501 N 1.04 0.89 -0.67 1.25 -1.00 -0.84 -2.21 116.94 115.41 1wda h PHE 501 Ca 0.33 -0.45 0.03 0.00 2.81 0.00 0.00 57.97 60.69 1wda h PHE 501 Cb -0.01 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.39 1wda h PHE 501 CO -0.02 1.27 0.41 0.37 -1.61 0.00 0.00 178.31 178.73 1wda h GLN 502 N 0.27 0.78 -0.71 1.51 5.75 -0.76 -0.43 115.11 121.53 1wda h GLN 502 Ca -0.08 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.34 1wda h GLN 502 Cb 1.44 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 1wda h GLN 502 CO 0.16 0.52 0.32 0.93 -2.65 0.00 0.00 178.83 178.10 1wda h GLU 503 N 0.80 1.02 -0.66 1.69 5.08 -1.12 -0.48 114.58 120.91 1wda h GLU 503 Ca 0.27 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1wda h GLU 503 Cb 0.04 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1wda h GLU 503 CO -0.12 0.81 0.28 0.37 -1.00 0.00 0.00 179.01 179.35 1wda h GLN 504 N 1.01 0.98 -0.28 2.33 5.75 -0.96 -2.41 115.11 121.52 1wda h GLN 504 Ca 0.24 -0.17 -0.18 0.00 -0.15 0.00 0.00 58.65 58.40 1wda h GLN 504 Cb 0.14 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.52 1wda h GLN 504 CO -0.03 0.81 -0.52 0.37 -2.65 0.00 0.00 178.83 176.81 1wda h GLN 505 N 0.93 0.82 -0.81 1.69 4.15 -0.59 -1.61 115.11 119.70 1wda h GLN 505 Ca 0.22 -0.51 0.09 0.00 0.77 0.00 0.00 58.65 59.23 1wda h GLN 505 Cb 0.18 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.86 1wda h GLN 505 CO -0.02 1.14 0.53 -0.91 -1.93 0.00 0.00 178.83 177.63 1wda h ASN 506 N 0.64 0.70 -0.06 -0.69 2.35 -1.01 -0.94 115.58 116.57 1wda h ASN 506 Ca 0.02 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1wda h ASN 506 Cb 1.11 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1wda h ASN 506 CO 0.11 0.42 0.00 -0.62 -1.65 0.00 0.00 177.43 175.69 1wda n GLU 507 N -4.51 1.51 0.00 0.81 -0.58 -0.92 -4.91 120.64 112.05 1wda n GLU 507 Ca 0.13 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 56.12 1wda n GLU 507 Cb 0.30 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1wda n GLU 507 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wda n GLY 508 N 1.09 1.30 1.21 0.62 0.00 -0.36 -5.00 105.19 104.05 1wda n GLY 508 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1wda n GLY 508 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wda n HIS 509 N -1.54 1.18 0.28 1.61 8.25 -0.64 -4.70 115.22 119.67 1wda n HIS 509 Ca 0.00 -1.60 0.18 0.00 -0.26 0.00 0.00 57.72 56.04 1wda n HIS 509 Cb 0.00 -0.51 0.94 0.00 1.12 0.00 0.00 29.99 31.54 1wda n HIS 509 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1wda h GLY 510 N 1.02 0.00 1.42 -1.41 0.00 -1.78 -1.32 103.07 101.00 1wda h GLY 510 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1wda h GLY 510 CO 0.42 0.00 -0.41 -2.21 0.00 0.00 0.00 176.54 174.34 1wda n GLU 511 N -3.39 0.24 -1.62 4.80 4.07 -1.26 -1.72 120.64 121.76 1wda n GLU 511 Ca -0.01 0.11 -0.39 0.00 -0.06 0.00 0.00 57.16 56.81 1wda n GLU 511 Cb 0.26 -1.69 0.04 0.00 -0.06 0.00 0.00 31.44 29.98 1wda n GLU 511 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wda n ALA 512 N -1.77 0.26 -3.54 4.31 0.00 -0.50 -4.69 120.51 114.58 1wda n ALA 512 Ca 0.04 0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 1wda n ALA 512 Cb 0.42 -2.11 -0.14 0.00 0.00 0.00 0.00 19.45 17.62 1wda n ALA 512 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wda s LEU 513 N -1.48 3.05 0.46 0.00 1.43 -1.26 -1.38 118.68 119.51 1wda s LEU 513 Ca 0.70 -0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 1wda s LEU 513 Cb -0.46 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 1wda s LEU 513 CO 0.51 -0.07 1.22 -0.22 0.23 0.00 0.00 176.35 178.03 1wda s LEU 514 N 1.44 4.02 -1.03 1.79 0.20 0.30 -3.28 118.68 122.12 1wda s LEU 514 Ca 0.04 2.45 -0.00 0.00 0.69 0.00 0.00 54.13 57.31 1wda s LEU 514 Cb -0.15 -4.18 0.00 0.00 -0.43 0.00 0.00 46.19 41.43 1wda s LEU 514 CO -0.03 -1.02 0.02 0.49 -0.29 0.00 0.00 176.35 175.52 1wda n PHE 515 N -0.46 -0.61 -2.24 5.38 3.72 0.26 -2.86 117.46 120.64 1wda n PHE 515 Ca 0.07 0.02 -0.40 0.00 -0.05 0.00 0.00 57.45 57.09 1wda n PHE 515 Cb 0.47 -2.75 -0.02 0.00 -0.94 0.00 0.00 39.48 36.23 1wda n PHE 515 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1wda s GLU 516 N -4.64 4.28 0.00 -1.08 -6.30 -1.21 -3.02 118.70 106.73 1wda s GLU 516 Ca 0.01 2.00 0.00 0.00 -2.50 0.00 0.00 54.97 54.48 1wda s GLU 516 Cb -0.01 -2.94 0.00 0.00 0.00 0.00 0.00 34.13 31.19 1wda s GLU 516 CO 0.01 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1wda n GLY 517 N 0.82 1.12 3.52 -1.50 0.00 -1.26 -4.74 105.19 103.14 1wda n GLY 517 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1wda n GLY 517 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wda s ILE 518 N -3.01 5.04 0.20 -0.61 -1.09 -1.17 -5.00 121.20 115.57 1wda s ILE 518 Ca 0.00 -0.15 -0.10 0.00 -2.23 0.00 0.00 60.65 58.17 1wda s ILE 518 Cb 0.00 -3.51 0.13 0.00 -1.58 0.00 0.00 42.46 37.51 1wda s ILE 518 CO 0.00 0.12 1.84 0.11 -1.23 0.00 0.00 174.94 175.78 1wda h LYS 519 N 8.40 0.79 -3.07 2.79 1.57 -1.96 -3.36 116.57 121.72 1wda h LYS 519 Ca -0.33 -0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 57.78 1wda h LYS 519 Cb 1.17 -0.18 -0.41 0.00 0.08 0.00 0.00 32.23 32.88 1wda h LYS 519 CO 0.60 0.52 -0.63 0.15 -0.57 0.00 0.00 179.45 179.52 1wda s LYS 520 N -6.12 2.15 -0.23 3.15 1.02 -1.26 -5.06 119.74 113.39 1wda s LYS 520 Ca -0.13 -3.01 -0.27 0.00 0.02 0.00 0.00 55.97 52.59 1wda s LYS 520 Cb 0.15 -3.15 0.12 0.00 -0.52 0.00 0.00 37.83 34.43 1wda s LYS 520 CO 0.76 -1.25 1.00 0.15 -0.92 0.00 0.00 175.35 175.09 1wda s LYS 521 N -0.97 0.56 -0.36 1.68 1.02 -1.26 -5.10 119.74 115.31 1wda s LYS 521 Ca 0.24 0.45 -0.29 0.00 0.02 0.00 0.00 55.97 56.39 1wda s LYS 521 Cb -0.09 0.27 -0.07 0.00 -0.52 0.00 0.00 37.83 37.41 1wda s LYS 521 CO -0.13 -0.11 2.30 1.17 -0.92 0.00 0.00 175.35 177.67 1wda n LYS 522 N 1.70 1.45 -2.56 1.68 4.81 -1.26 -4.94 118.16 119.03 1wda n LYS 522 Ca -0.12 0.30 -0.35 0.00 -0.87 0.00 0.00 58.31 57.28 1wda n LYS 522 Cb 0.56 -3.11 -0.04 0.00 0.02 0.00 0.00 35.03 32.46 1wda n LYS 522 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1wda s GLN 523 N 7.06 3.92 -0.04 1.64 -0.21 -1.26 -4.95 119.66 125.82 1wda s GLN 523 Ca 1.03 1.38 -0.01 0.00 0.02 0.00 0.00 55.36 57.78 1wda s GLN 523 Cb -0.41 -2.21 0.03 0.00 1.00 0.00 0.00 33.01 31.43 1wda s GLN 523 CO 0.35 -0.33 0.08 -0.65 -2.12 0.00 0.00 175.29 172.62 1wda s GLN 524 N -3.05 0.02 0.23 2.91 -0.21 -1.13 -5.01 119.66 113.41 1wda s GLN 524 Ca 0.65 0.28 -0.25 0.00 0.02 0.00 0.00 55.36 56.05 1wda s GLN 524 Cb -0.17 -0.23 -0.09 0.00 1.00 0.00 0.00 33.01 33.53 1wda s GLN 524 CO 0.21 -0.17 0.83 0.15 -2.12 0.00 0.00 175.29 174.19 1wda s LYS 525 N 1.16 4.56 0.32 2.91 1.02 -1.26 -0.54 119.74 127.91 1wda s LYS 525 Ca -0.09 1.20 0.09 0.00 0.02 0.00 0.00 55.97 57.19 1wda s LYS 525 Cb -0.12 -3.08 0.90 0.00 -0.52 0.00 0.00 37.83 35.01 1wda s LYS 525 CO -0.04 0.46 1.67 0.82 -0.92 0.00 0.00 175.35 177.34 1wda h ILE 526 N 3.01 0.35 -0.81 2.17 2.04 -1.17 -0.61 117.51 122.50 1wda h ILE 526 Ca -0.47 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 1wda h ILE 526 Cb 1.20 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1wda h ILE 526 CO 0.66 0.06 0.35 0.11 0.00 0.00 0.00 178.15 179.33 1wda h LYS 527 N 0.33 1.19 0.07 2.37 1.57 -1.62 -1.05 116.57 119.43 1wda h LYS 527 Ca 0.65 -0.20 -0.26 0.00 -1.87 0.00 0.00 60.65 58.97 1wda h LYS 527 Cb 1.37 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1wda h LYS 527 CO -0.60 0.95 -1.10 -0.91 -0.57 0.00 0.00 179.45 177.22 1wda h ASN 528 N 1.17 0.54 -0.63 0.86 2.35 -1.45 -1.83 115.58 116.59 1wda h ASN 528 Ca 0.27 -0.50 0.08 0.00 -0.55 0.00 0.00 56.30 55.61 1wda h ASN 528 Cb 0.18 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 38.31 1wda h ASN 528 CO -0.03 1.33 0.29 0.40 -1.65 0.00 0.00 177.43 177.77 1wda h ILE 529 N 0.18 0.84 -0.12 2.81 2.04 -1.08 -1.38 117.51 120.80 1wda h ILE 529 Ca -0.12 -0.18 -0.18 0.00 1.00 0.00 0.00 64.86 65.39 1wda h ILE 529 Cb 1.78 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1wda h ILE 529 CO 0.19 0.09 -0.66 -0.07 0.00 0.00 0.00 178.15 177.70 1wda h LEU 530 N 0.51 0.55 0.00 1.44 4.07 -1.10 -3.00 115.31 117.78 1wda h LEU 530 Ca 0.31 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1wda h LEU 530 Cb 0.32 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.90 1wda h LEU 530 CO -0.26 1.06 0.00 -1.54 -1.08 0.00 0.00 178.44 176.62 1wda n SER 531 N -3.89 0.00 -4.57 -0.43 3.41 -0.70 -4.72 113.62 102.71 1wda n SER 531 Ca -0.04 0.39 -0.41 0.00 -0.26 0.00 0.00 58.87 58.55 1wda n SER 531 Cb 0.67 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1wda n SER 531 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1wda s ASN 532 N -2.92 5.97 0.40 4.04 3.84 -0.54 -4.85 114.94 120.87 1wda s ASN 532 Ca 0.16 0.42 0.22 0.00 0.21 0.00 0.00 52.86 53.86 1wda s ASN 532 Cb 0.18 -2.54 0.51 0.00 -0.55 0.00 0.00 41.25 38.85 1wda s ASN 532 CO 0.48 -1.81 1.65 0.11 -2.79 0.00 0.00 177.10 174.75 1wda h LYS 533 N 11.86 0.00 0.14 0.43 1.57 -1.89 -2.70 116.57 125.99 1wda h LYS 533 Ca -0.27 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.27 1wda h LYS 533 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.43 1wda h LYS 533 CO 1.17 0.22 -1.11 1.15 -0.57 0.00 0.00 179.45 180.30 1wda h THR 534 N 0.00 1.30 -0.74 -0.16 2.02 -1.98 -2.52 112.91 110.84 1wda h THR 534 Ca -0.00 -2.50 0.11 0.00 0.77 0.00 0.00 66.41 64.79 1wda h THR 534 Cb 1.01 2.99 -0.08 0.00 -1.74 0.00 0.00 68.15 70.33 1wda h THR 534 CO 0.03 0.72 0.35 0.25 0.37 0.00 0.00 175.52 177.24 1wda h LEU 535 N -0.30 0.43 -0.57 2.58 6.46 -1.93 0.06 115.31 122.05 1wda h LEU 535 Ca -0.22 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.57 1wda h LEU 535 Cb 1.74 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.65 1wda h LEU 535 CO 0.12 0.23 0.17 -0.09 -0.62 0.00 0.00 178.44 178.25 1wda h ARG 536 N 0.57 0.89 0.05 1.25 2.43 -1.53 -0.23 114.38 117.80 1wda h ARG 536 Ca 0.38 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1wda h ARG 536 Cb 0.46 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1wda h ARG 536 CO -0.31 0.81 -0.10 0.93 -1.51 0.00 0.00 179.97 179.79 1wda h GLU 537 N 0.80 -0.19 -0.07 0.20 5.08 -0.95 0.92 114.58 120.36 1wda h GLU 537 Ca 0.18 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1wda h GLU 537 Cb 0.30 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1wda h GLU 537 CO -0.00 -0.13 -0.10 0.45 -1.00 0.00 0.00 179.01 178.23 1wda h HIS 538 N -0.20 -0.26 0.00 4.33 3.86 -0.89 -1.35 115.15 120.65 1wda h HIS 538 Ca 0.02 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1wda h HIS 538 Cb 0.22 0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1wda h HIS 538 CO -0.14 -0.16 0.00 -0.91 0.86 0.00 0.00 177.93 177.58 1wda h ASN 539 N -0.14 0.00 -0.02 2.45 2.35 -0.92 -0.72 115.58 118.57 1wda h ASN 539 Ca 0.06 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.57 1wda h ASN 539 Cb 0.23 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.62 1wda h ASN 539 CO -0.16 0.00 -0.92 -1.28 -1.65 0.00 0.00 177.43 173.42 1wda h SER 540 N 0.00 0.88 -0.30 5.81 0.87 0.14 -1.68 113.55 119.28 1wda h SER 540 Ca 0.00 -0.65 -0.18 0.00 -1.23 0.00 0.00 61.79 59.73 1wda h SER 540 Cb 0.39 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1wda h SER 540 CO 0.00 1.45 -0.50 0.15 -0.53 0.00 0.00 176.83 177.39 1wda h PHE 541 N 0.44 1.10 -0.11 2.24 3.04 -0.54 -2.23 116.94 120.89 1wda h PHE 541 Ca -0.09 -0.37 -0.00 0.00 3.98 0.00 0.00 57.97 61.48 1wda h PHE 541 Cb 1.56 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.85 1wda h PHE 541 CO 0.09 1.20 0.06 0.28 -2.02 0.00 0.00 178.31 177.92 1wda h VAL 542 N 0.69 1.10 -0.99 1.41 2.07 -1.21 -2.05 116.25 117.27 1wda h VAL 542 Ca 0.03 -0.27 0.22 0.00 0.82 0.00 0.00 66.70 67.49 1wda h VAL 542 Cb 1.11 1.08 -0.09 0.00 -1.52 0.00 0.00 31.29 31.87 1wda h VAL 542 CO 0.11 0.09 0.63 -0.08 0.02 0.00 0.00 177.57 178.34 1wda h GLU 543 N 0.07 0.53 -0.39 1.57 4.81 -1.24 0.66 114.58 120.59 1wda h GLU 543 Ca 0.04 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1wda h GLU 543 Cb 0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1wda h GLU 543 CO -0.01 0.35 0.15 -0.09 -0.73 0.00 0.00 179.01 178.68 1wda h ARG 544 N 0.55 0.59 -0.34 1.92 2.43 -0.85 -0.25 114.38 118.42 1wda h ARG 544 Ca 0.56 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.58 1wda h ARG 544 Cb 1.18 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1wda h ARG 544 CO -0.31 0.57 0.05 0.00 -1.51 0.00 0.00 179.97 178.77 1wda h ILE 546 N 0.40 1.14 -0.63 0.00 2.04 -0.91 -2.91 117.51 116.63 1wda h ILE 546 Ca 0.10 -0.40 0.12 0.00 1.00 0.00 0.00 64.86 65.68 1wda h ILE 546 Cb 0.36 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1wda h ILE 546 CO 0.01 0.11 0.43 0.44 0.00 0.00 0.00 178.15 179.13 1wda h ASP 547 N -0.10 0.31 0.25 1.72 3.32 -0.98 0.11 116.42 121.06 1wda h ASP 547 Ca 0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1wda h ASP 547 Cb 0.16 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1wda h ASP 547 CO -0.00 0.17 -0.12 -0.25 -1.72 0.00 0.00 179.24 177.32 1wda h TRP 548 N 0.34 -0.32 -0.57 4.55 2.91 -1.16 -2.60 115.95 119.09 1wda h TRP 548 Ca 0.30 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.34 1wda h TRP 548 Cb 0.71 0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 29.43 1wda h TRP 548 CO -0.00 -0.15 0.34 -0.91 -1.03 0.00 0.00 178.44 176.69 1wda h ASN 549 N -0.41 0.53 -0.96 2.65 2.35 -1.08 -2.18 115.58 116.49 1wda h ASN 549 Ca -0.03 0.01 0.13 0.00 -0.55 0.00 0.00 56.30 55.86 1wda h ASN 549 Cb 0.31 -0.10 -0.15 0.00 0.05 0.00 0.00 38.32 38.43 1wda h ASN 549 CO 0.06 0.37 -0.44 -0.09 -1.65 0.00 0.00 177.43 175.67 1wda h ARG 550 N 0.66 -0.02 -0.21 0.81 2.43 -0.70 0.96 114.38 118.31 1wda h ARG 550 Ca 0.24 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.21 1wda h ARG 550 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1wda h ARG 550 CO -0.12 -0.01 -0.67 0.93 -1.51 0.00 0.00 179.97 178.59 1wda h GLU 551 N -0.02 0.79 -0.65 0.20 4.39 -1.10 -0.07 114.58 118.11 1wda h GLU 551 Ca 0.29 -0.57 0.09 0.00 0.34 0.00 0.00 59.36 59.50 1wda h GLU 551 Cb 0.55 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.22 1wda h GLU 551 CO -0.95 1.19 0.28 1.25 -1.16 0.00 0.00 179.01 179.63 1wda h LEU 552 N 0.57 0.33 -0.40 1.33 5.85 -1.07 0.13 115.31 122.04 1wda h LEU 552 Ca -0.02 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 1wda h LEU 552 Cb 1.28 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1wda h LEU 552 CO 0.14 0.19 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.93 1wda h LEU 553 N 0.49 0.95 -0.56 2.25 3.38 -0.34 -0.60 115.31 120.88 1wda h LEU 553 Ca 0.32 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1wda h LEU 553 Cb 0.37 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1wda h LEU 553 CO -0.29 1.24 0.30 0.11 0.09 0.00 0.00 178.44 179.90 1wda h LYS 554 N 0.70 0.57 0.05 1.13 1.57 -0.56 -0.38 116.57 119.66 1wda h LYS 554 Ca 0.05 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1wda h LYS 554 Cb 1.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1wda h LYS 554 CO 0.10 0.38 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.24 1wda h ARG 555 N 0.59 -0.07 0.00 3.15 2.43 -0.61 -0.96 114.38 118.91 1wda h ARG 555 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1wda h ARG 555 Cb 0.11 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1wda h ARG 555 CO -0.14 0.35 -0.29 0.93 -1.51 0.00 0.00 179.97 179.31 1wda h GLU 556 N -0.51 0.00 -0.01 0.20 4.39 -1.04 -3.21 114.58 114.40 1wda h GLU 556 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1wda h GLU 556 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1wda h GLU 556 CO 0.01 0.00 -0.08 1.28 -1.16 0.00 0.00 179.01 179.06 1wda n LEU 557 N -2.67 1.59 -2.66 1.33 4.32 -0.16 -4.95 117.00 113.80 1wda n LEU 557 Ca 0.03 -0.90 -0.19 0.00 -0.02 0.00 0.00 56.01 54.93 1wda n LEU 557 Cb 0.50 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.33 1wda n LEU 557 CO 0.35 0.31 0.05 0.61 -1.22 0.00 0.00 177.39 177.48 1wda n GLY 558 N 0.71 -0.31 3.86 -0.72 0.00 -0.42 -4.58 105.19 103.73 1wda n GLY 558 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1wda n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wda s LEU 559 N -5.77 3.90 0.45 0.99 1.43 -0.87 -4.96 118.68 113.85 1wda s LEU 559 Ca 0.30 1.25 0.06 0.00 -1.03 0.00 0.00 54.13 54.71 1wda s LEU 559 Cb -0.13 -4.10 -0.03 0.00 0.03 0.00 0.00 46.19 41.95 1wda s LEU 559 CO 0.38 -0.34 0.21 0.00 0.23 0.00 0.00 176.35 176.82 1wda s ALA 560 N -2.25 3.82 0.34 4.21 0.00 -1.26 -4.72 121.76 121.91 1wda s ALA 560 Ca 0.53 -1.74 0.07 0.00 0.00 0.00 0.00 51.96 50.82 1wda s ALA 560 Cb -0.10 -0.42 0.75 0.00 0.00 0.00 0.00 23.12 23.35 1wda s ALA 560 CO 0.26 -0.21 1.88 0.93 0.00 0.00 0.00 175.76 178.62 1wda h GLU 561 N 1.27 0.74 0.00 0.00 4.39 -1.99 -0.98 114.58 118.02 1wda h GLU 561 Ca -0.42 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1wda h GLU 561 Cb 1.27 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1wda h GLU 561 CO 0.68 0.49 0.00 -1.13 -1.16 0.00 0.00 179.01 177.89 1wda n SER 562 N -4.56 0.00 -0.40 1.42 3.41 -1.26 -0.85 113.62 111.38 1wda n SER 562 Ca 0.17 -0.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.86 1wda n SER 562 Cb 0.41 -0.21 0.38 0.00 -0.26 0.00 0.00 64.21 64.53 1wda n SER 562 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wda n ASP 563 N -1.21 1.43 -4.08 4.04 8.00 -0.37 -4.94 116.55 119.42 1wda n ASP 563 Ca 0.07 -1.25 -0.30 0.00 0.71 0.00 0.00 54.79 54.03 1wda n ASP 563 Cb 0.09 0.11 -0.17 0.00 -0.02 0.00 0.00 41.12 41.13 1wda n ASP 563 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wda s ILE 564 N -2.28 1.68 -0.18 0.53 1.01 -0.03 -1.02 121.20 120.92 1wda s ILE 564 Ca 0.29 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 1wda s ILE 564 Cb 0.20 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 1wda s ILE 564 CO 0.44 0.48 -0.02 -0.63 0.00 0.00 0.00 174.94 175.21 1wda s ILE 565 N 1.07 3.89 0.01 2.92 1.01 -0.09 -4.98 121.20 125.03 1wda s ILE 565 Ca -0.04 -0.35 -0.25 0.00 0.00 0.00 0.00 60.65 60.01 1wda s ILE 565 Cb -0.14 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1wda s ILE 565 CO -0.04 0.47 0.77 -1.81 0.00 0.00 0.00 174.94 174.33 1wda s ASP 566 N 0.65 7.16 -0.21 3.58 -0.00 -1.26 -1.89 116.67 124.71 1wda s ASP 566 Ca -0.02 1.40 -0.06 0.00 -0.00 0.00 0.00 52.55 53.87 1wda s ASP 566 Cb -0.14 -2.46 -0.03 0.00 -0.00 0.00 0.00 42.92 40.28 1wda s ASP 566 CO 0.02 -0.06 0.03 -0.63 -0.00 0.00 0.00 175.17 174.53 1wda s ILE 567 N 0.35 4.25 0.16 0.77 -1.09 -0.42 -4.95 121.20 120.26 1wda s ILE 567 Ca 0.40 -0.21 -0.31 0.00 -2.23 0.00 0.00 60.65 58.30 1wda s ILE 567 Cb -0.20 -2.94 -0.11 0.00 -1.58 0.00 0.00 42.46 37.64 1wda s ILE 567 CO 0.22 0.41 1.80 -2.16 -1.23 0.00 0.00 174.94 173.99 1wda s PRO 568 N 1.00 4.13 -0.28 2.79 0.04 -1.26 -0.95 135.00 140.47 1wda s PRO 568 Ca 0.03 2.62 -0.15 0.00 0.04 0.00 0.00 61.00 63.54 1wda s PRO 568 Cb -0.14 -3.41 0.09 0.00 0.04 0.00 0.00 34.50 31.08 1wda s PRO 568 CO 0.02 -0.82 0.69 -1.14 0.04 0.00 0.00 177.00 175.80 1wda s GLN 569 N 2.20 0.68 0.09 4.56 2.00 -0.59 -4.79 119.66 123.81 1wda s GLN 569 Ca 0.79 1.25 0.04 0.00 -2.00 0.00 0.00 55.36 55.44 1wda s GLN 569 Cb -0.48 0.26 -0.04 0.00 0.80 0.00 0.00 33.01 33.55 1wda s GLN 569 CO 0.35 -0.16 0.03 -0.51 -0.50 0.00 0.00 175.29 174.51 1wda s LEU 570 N 1.84 3.59 0.23 3.68 1.02 -1.26 -2.14 118.68 125.63 1wda s LEU 570 Ca -0.09 -0.13 0.02 0.00 0.02 0.00 0.00 54.13 53.95 1wda s LEU 570 Cb -0.06 -2.29 -0.05 0.00 0.02 0.00 0.00 46.19 43.80 1wda s LEU 570 CO -0.20 0.17 0.04 -0.36 0.02 0.00 0.00 176.35 176.02 1wda s PHE 571 N -1.37 1.46 0.02 0.29 0.40 -1.26 -1.55 117.98 115.96 1wda s PHE 571 Ca 0.27 -1.06 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 1wda s PHE 571 Cb -0.12 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 1wda s PHE 571 CO 0.20 -0.21 -0.04 -1.59 0.70 0.00 0.00 175.22 174.28 1wda s LYS 572 N -3.95 0.31 0.26 0.44 -2.85 -0.26 -4.59 119.74 109.10 1wda s LYS 572 Ca 0.31 -0.51 -0.19 0.00 -1.00 0.00 0.00 55.97 54.59 1wda s LYS 572 Cb 0.07 -0.03 -0.09 0.00 -2.06 0.00 0.00 37.83 35.72 1wda s LYS 572 CO 0.10 -0.01 0.74 -0.51 0.10 0.00 0.00 175.35 175.77 1wda s LEU 573 N -1.14 4.26 0.00 2.77 1.43 -1.26 -1.33 118.68 123.42 1wda s LEU 573 Ca -0.11 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1wda s LEU 573 Cb -0.08 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.39 1wda s LEU 573 CO -0.00 -0.04 0.00 0.29 0.23 0.00 0.00 176.35 176.82 1wda n LYS 574 N 0.41 0.00 -2.27 1.70 4.76 -0.57 -4.90 118.16 117.29 1wda n LYS 574 Ca -0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1wda n LYS 574 Cb 0.52 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 1wda n LYS 574 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1wda s GLU 575 N 3.19 4.39 -1.72 1.97 -1.05 -1.26 -1.86 118.70 122.35 1wda s GLU 575 Ca 0.00 1.97 0.00 0.00 -0.15 0.00 0.00 54.97 56.79 1wda s GLU 575 Cb 0.00 -3.25 0.00 0.00 -0.44 0.00 0.00 34.13 30.44 1wda s GLU 575 CO 0.00 -0.30 0.00 1.19 0.95 0.00 0.00 175.26 177.10 1wda n PHE 576 N 3.37 -0.68 -1.78 4.83 3.72 -1.26 -2.62 117.46 123.04 1wda n PHE 576 Ca 0.08 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.34 1wda n PHE 576 Cb 0.44 -3.40 -0.04 0.00 -0.94 0.00 0.00 39.48 35.54 1wda n PHE 576 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1wda n SER 577 N -1.55 -4.64 -4.88 4.37 7.64 -0.77 -4.99 113.62 108.80 1wda n SER 577 Ca -0.20 0.21 -0.33 0.00 1.01 0.00 0.00 58.87 59.56 1wda n SER 577 Cb 0.63 -3.59 -0.05 0.00 -1.01 0.00 0.00 64.21 60.20 1wda n SER 577 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wda s LYS 578 N -3.86 3.73 -0.02 1.43 -0.14 -1.08 -4.65 119.74 115.16 1wda s LYS 578 Ca 0.00 0.12 -0.19 0.00 -1.36 0.00 0.00 55.97 54.55 1wda s LYS 578 Cb 0.00 -2.83 -0.05 0.00 -1.68 0.00 0.00 37.83 33.26 1wda s LYS 578 CO 0.00 0.45 0.53 0.00 -0.76 0.00 0.00 175.35 175.57 1wda s ALA 579 N -1.62 3.54 0.24 5.17 0.00 -0.06 -1.52 121.76 127.50 1wda s ALA 579 Ca 0.41 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.36 1wda s ALA 579 Cb -0.12 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1wda s ALA 579 CO 0.21 0.23 -0.07 -1.21 0.00 0.00 0.00 175.76 174.92 1wda s GLU 580 N -0.33 1.39 0.03 0.00 2.02 -0.44 -0.96 118.70 120.41 1wda s GLU 580 Ca 0.28 -1.68 -0.30 0.00 0.02 0.00 0.00 54.97 53.29 1wda s GLU 580 Cb -0.17 -0.95 -0.04 0.00 0.10 0.00 0.00 34.13 33.07 1wda s GLU 580 CO 0.15 0.04 1.03 0.00 0.02 0.00 0.00 175.26 176.50 1wda s ALA 581 N -3.14 3.22 0.09 5.21 0.00 -1.26 -1.10 121.76 124.78 1wda s ALA 581 Ca 0.26 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 1wda s ALA 581 Cb 0.03 -3.36 -0.19 0.00 0.00 0.00 0.00 23.12 19.60 1wda s ALA 581 CO 0.09 -0.25 1.23 0.35 0.00 0.00 0.00 175.76 177.17 1wda h PHE 582 N 6.64 0.95 -3.52 0.00 3.04 -1.55 -3.45 116.94 119.05 1wda h PHE 582 Ca -0.41 -0.51 -0.35 0.00 3.98 0.00 0.00 57.97 60.68 1wda h PHE 582 Cb 1.22 -0.11 -0.14 0.00 2.56 0.00 0.00 35.95 39.47 1wda h PHE 582 CO 0.67 1.34 -0.65 -0.59 -2.02 0.00 0.00 178.31 177.06 1wda s PHE 583 N -3.35 1.46 -0.34 0.41 -0.12 -1.26 -5.02 117.98 109.75 1wda s PHE 583 Ca -0.09 -0.99 -0.45 0.00 -0.05 0.00 0.00 56.93 55.35 1wda s PHE 583 Cb 0.08 -0.84 -0.20 0.00 -0.63 0.00 0.00 43.02 41.42 1wda s PHE 583 CO 0.91 -0.14 1.46 -2.30 -0.05 0.00 0.00 175.22 175.10 1wda n PRO 584 N -0.38 0.09 -2.25 1.99 -0.02 -1.26 -4.73 135.00 128.44 1wda n PRO 584 Ca -0.05 0.03 -0.35 0.00 -2.02 0.00 0.00 63.50 61.11 1wda n PRO 584 Cb 0.64 -1.55 -0.04 0.00 -0.02 0.00 0.00 33.50 32.54 1wda n PRO 584 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1wda s ASN 585 N 2.16 5.67 0.53 2.55 3.84 -1.26 -4.65 114.94 123.78 1wda s ASN 585 Ca 1.00 -0.56 0.24 0.00 0.21 0.00 0.00 52.86 53.76 1wda s ASN 585 Cb -1.40 -2.55 1.49 0.00 -0.55 0.00 0.00 41.25 38.23 1wda s ASN 585 CO 0.74 -2.21 2.14 0.24 -2.79 0.00 0.00 177.10 175.21 1wda h MET 586 N 11.66 0.00 0.00 0.43 2.86 -1.84 -1.56 114.93 126.47 1wda h MET 586 Ca -0.03 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1wda h MET 586 Cb 1.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1wda h MET 586 CO 1.28 0.07 -0.13 -0.24 1.06 0.00 0.00 176.91 178.94 1wda h VAL 587 N 0.00 0.38 -0.37 -2.22 3.04 -1.91 -3.32 116.25 111.85 1wda h VAL 587 Ca -0.00 -0.80 -0.72 0.00 -1.01 0.00 0.00 66.70 64.18 1wda h VAL 587 Cb 0.17 1.58 -0.06 0.00 -2.01 0.00 0.00 31.29 30.97 1wda h VAL 587 CO 0.01 0.13 2.93 -3.20 -1.01 0.00 0.00 177.57 176.43 1wda n ASN 588 N -3.34 4.84 -4.61 3.17 2.85 -0.59 -4.45 115.26 113.13 1wda n ASN 588 Ca -0.00 -2.89 -0.23 0.00 -0.11 0.00 0.00 54.58 51.35 1wda n ASN 588 Cb 0.34 -1.59 -0.08 0.00 1.24 0.00 0.00 39.78 39.69 1wda n ASN 588 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wda s MET 589 N 2.25 2.13 -0.21 1.20 0.23 -1.25 -1.52 119.30 122.12 1wda s MET 589 Ca 0.48 -1.55 -0.13 0.00 -1.03 0.00 0.00 55.69 53.46 1wda s MET 589 Cb 0.14 -2.04 -0.05 0.00 -1.53 0.00 0.00 34.83 31.35 1wda s MET 589 CO -0.06 0.31 0.26 -1.17 -2.03 0.00 0.00 175.02 172.33 1wda s LEU 590 N -3.65 4.15 -0.34 0.18 2.96 -0.48 -4.35 118.68 117.15 1wda s LEU 590 Ca 0.32 0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 54.51 1wda s LEU 590 Cb -0.05 -2.29 0.06 0.00 0.50 0.00 0.00 46.19 44.41 1wda s LEU 590 CO 0.19 0.02 0.09 -0.69 -1.32 0.00 0.00 176.35 174.63 1wda s VAL 591 N 1.05 3.32 -0.71 1.68 1.01 -1.26 -0.44 120.40 125.05 1wda s VAL 591 Ca 0.13 -1.48 0.05 0.00 0.00 0.00 0.00 61.98 60.68 1wda s VAL 591 Cb -0.14 -2.99 0.22 0.00 0.00 0.00 0.00 36.38 33.47 1wda s VAL 591 CO 0.05 -0.28 0.69 0.18 0.00 0.00 0.00 175.10 175.74 1wda n LEU 592 N 4.68 3.65 0.00 3.92 4.32 -0.24 -4.89 117.00 128.45 1wda n LEU 592 Ca -0.10 -5.33 0.00 0.00 -0.02 0.00 0.00 56.01 50.56 1wda n LEU 592 Cb 0.43 -0.76 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 1wda n LEU 592 CO 0.30 1.89 0.00 0.61 -1.22 0.00 0.00 177.39 178.97 1wda n GLY 593 N 1.40 3.88 0.01 -0.72 0.00 -1.26 -1.68 105.19 106.81 1wda n GLY 593 Ca 0.25 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1wda n GLY 593 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wda n LYS 594 N 13.77 0.02 -3.05 1.61 4.01 -1.26 -4.71 118.16 128.55 1wda n LYS 594 Ca 0.00 0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.39 1wda n LYS 594 Cb 0.00 -1.52 -0.06 0.00 -0.51 0.00 0.00 35.03 32.94 1wda n LYS 594 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1wda s HIS 595 N -3.01 3.12 -0.13 2.13 3.76 -0.68 -0.19 115.29 120.28 1wda s HIS 595 Ca 0.13 0.36 -0.05 0.00 -0.15 0.00 0.00 55.06 55.35 1wda s HIS 595 Cb 0.18 -3.28 -0.04 0.00 1.11 0.00 0.00 32.58 30.56 1wda s HIS 595 CO 0.59 -0.71 0.04 -0.51 -0.85 0.00 0.00 174.74 173.30 1wda s LEU 596 N 2.88 3.74 -0.65 0.89 1.43 -0.13 -1.07 118.68 125.78 1wda s LEU 596 Ca 0.27 0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 53.44 1wda s LEU 596 Cb -0.14 -1.90 0.17 0.00 0.03 0.00 0.00 46.19 44.35 1wda s LEU 596 CO 0.16 0.28 0.50 -0.83 0.23 0.00 0.00 176.35 176.69 1wda s GLY 597 N -0.30 2.47 -0.15 -3.19 0.00 0.42 -1.57 107.32 104.99 1wda s GLY 597 Ca 0.08 -3.17 -0.07 0.00 0.00 0.00 0.00 44.72 41.56 1wda s GLY 597 CO 0.02 1.14 0.08 -0.42 0.00 0.00 0.00 173.10 173.91 1wda s ILE 598 N 0.19 4.97 0.29 0.90 1.01 -0.35 -1.39 121.20 126.81 1wda s ILE 598 Ca 0.16 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1wda s ILE 598 Cb -0.19 -3.20 -0.11 0.00 0.01 0.00 0.00 42.46 38.98 1wda s ILE 598 CO -0.04 0.53 1.53 -2.16 0.00 0.00 0.00 174.94 174.79 1wda s PRO 599 N -0.23 4.17 -0.22 2.79 0.04 -1.26 0.04 135.00 140.33 1wda s PRO 599 Ca 0.09 2.49 -0.29 0.00 0.04 0.00 0.00 61.00 63.32 1wda s PRO 599 Cb -0.12 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 1wda s PRO 599 CO 0.01 -0.54 1.80 0.21 0.04 0.00 0.00 177.00 178.52 1wda s LYS 600 N -0.69 3.60 0.16 4.56 2.20 -0.14 -4.64 119.74 124.80 1wda s LYS 600 Ca 0.60 1.76 -0.30 0.00 -0.36 0.00 0.00 55.97 57.67 1wda s LYS 600 Cb -0.46 -4.15 -0.07 0.00 -1.51 0.00 0.00 37.83 31.64 1wda s LYS 600 CO 0.48 -1.55 0.97 -1.25 -0.36 0.00 0.00 175.35 173.65 1wda s PRO 601 N 5.20 4.74 -1.16 4.03 0.04 -1.26 -4.61 135.00 141.97 1wda s PRO 601 Ca 0.80 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 63.26 1wda s PRO 601 Cb -0.27 -3.33 0.24 0.00 0.04 0.00 0.00 34.50 31.18 1wda s PRO 601 CO 0.33 0.29 1.43 1.19 0.04 0.00 0.00 177.00 180.28 1wda n PHE 602 N 2.30 4.00 -2.20 0.56 3.01 -1.26 -4.91 117.46 118.96 1wda n PHE 602 Ca 0.01 -3.24 -0.26 0.00 1.01 0.00 0.00 57.45 54.98 1wda n PHE 602 Cb 0.48 -1.75 0.07 0.00 -0.01 0.00 0.00 39.48 38.27 1wda n PHE 602 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1wda s GLY 603 N 0.78 1.69 0.12 1.37 0.00 -1.26 0.90 107.32 110.91 1wda s GLY 603 Ca 0.35 -0.93 -0.31 0.00 0.00 0.00 0.00 44.72 43.83 1wda s GLY 603 CO 0.00 -0.52 1.78 -4.14 0.00 0.00 0.00 173.10 170.22 1wda s PRO 604 N -5.25 4.15 -0.34 2.90 0.02 -1.21 -4.50 135.00 130.78 1wda s PRO 604 Ca 0.60 2.54 -0.23 0.00 0.02 0.00 0.00 61.00 63.93 1wda s PRO 604 Cb -0.11 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.85 1wda s PRO 604 CO 0.45 -0.81 0.77 0.08 -0.33 0.00 0.00 177.00 177.15 1wda s VAL 605 N 2.62 4.78 -0.06 3.83 1.01 -1.26 -1.92 120.40 129.40 1wda s VAL 605 Ca 0.79 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.79 1wda s VAL 605 Cb -0.45 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 31.78 1wda s VAL 605 CO 0.35 -0.33 -0.13 -0.63 0.00 0.00 0.00 175.10 174.36 1wda s ILE 606 N 3.00 1.19 -1.37 2.22 1.09 -0.64 -4.76 121.20 121.92 1wda s ILE 606 Ca 0.31 -0.53 -0.00 0.00 -1.10 0.00 0.00 60.65 59.33 1wda s ILE 606 Cb -0.14 -1.07 -0.00 0.00 -1.06 0.00 0.00 42.46 40.19 1wda s ILE 606 CO 0.15 0.36 0.51 -3.20 -0.10 0.00 0.00 174.94 172.66 1wda n ASN 607 N 3.67 -0.62 -0.42 3.58 5.15 -1.26 -2.22 115.26 123.14 1wda n ASN 607 Ca -0.22 -0.95 -0.06 0.00 -0.60 0.00 0.00 54.58 52.76 1wda n ASN 607 Cb 0.52 -3.36 -0.02 0.00 -0.53 0.00 0.00 39.78 36.38 1wda n ASN 607 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wda n GLY 608 N -1.86 0.77 3.51 8.20 0.00 -1.26 -4.98 105.19 109.57 1wda n GLY 608 Ca -0.31 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 1wda n GLY 608 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wda s ARG 609 N -2.02 0.61 0.06 1.61 3.00 -0.94 -5.12 118.95 116.16 1wda s ARG 609 Ca 0.00 1.05 -0.35 0.00 -1.00 0.00 0.00 55.73 55.43 1wda s ARG 609 Cb 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 34.95 34.92 1wda s ARG 609 CO 0.00 -0.14 1.55 0.00 0.00 0.00 0.00 175.30 176.71 1wda h LEU 612 N 0.00 -0.11 -0.36 0.00 3.38 -1.89 -0.17 115.31 116.15 1wda h LEU 612 Ca -0.00 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1wda h LEU 612 Cb 0.88 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 1wda h LEU 612 CO 0.00 0.41 -0.20 -0.33 0.09 0.00 0.00 178.44 178.41 1wda h GLU 613 N -0.67 -0.14 -0.30 1.13 5.08 -1.90 -0.06 114.58 117.73 1wda h GLU 613 Ca -0.01 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1wda h GLU 613 Cb 0.53 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 1wda h GLU 613 CO 0.02 -0.09 -0.18 1.49 -1.00 0.00 0.00 179.01 179.24 1wda h GLU 614 N -0.14 -0.15 -0.80 2.33 4.22 -1.33 0.09 114.58 118.80 1wda h GLU 614 Ca 0.18 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.62 1wda h GLU 614 Cb 0.42 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1wda h GLU 614 CO -0.45 -0.10 0.47 -0.22 -2.18 0.00 0.00 179.01 176.53 1wda h LYS 615 N -0.15 1.09 -0.20 1.92 1.63 -0.33 -0.15 116.57 120.37 1wda h LYS 615 Ca 0.16 -0.11 -0.12 0.00 -0.85 0.00 0.00 60.65 59.74 1wda h LYS 615 Cb 0.39 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1wda h LYS 615 CO -0.39 0.78 -0.37 0.28 -3.45 0.00 0.00 179.45 176.29 1wda h VAL 616 N 1.09 1.30 -0.30 2.00 2.07 -0.53 -2.24 116.25 119.65 1wda h VAL 616 Ca 0.28 -1.49 -0.16 0.00 0.82 0.00 0.00 66.70 66.15 1wda h VAL 616 Cb -0.02 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1wda h VAL 616 CO -0.05 0.46 -0.45 0.00 0.02 0.00 0.00 177.57 177.55 1wda h SER 618 N 0.61 0.00 0.22 0.00 4.64 -0.72 -1.47 113.55 116.82 1wda h SER 618 Ca 0.03 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.00 1wda h SER 618 Cb 1.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1wda h SER 618 CO 0.10 0.00 -1.93 0.18 -0.87 0.00 0.00 176.83 174.32 1wda n LEU 619 N -3.07 2.18 -0.07 5.97 4.77 -0.87 -4.59 117.00 121.32 1wda n LEU 619 Ca -0.01 0.26 -0.07 0.00 -0.03 0.00 0.00 56.01 56.16 1wda n LEU 619 Cb 0.17 -0.78 -0.12 0.00 -2.33 0.00 0.00 43.42 40.36 1wda n LEU 619 CO 0.23 0.73 -0.98 0.18 -1.33 0.00 0.00 177.39 176.22 1wda n LEU 620 N -3.37 0.00 -0.37 2.23 4.77 -0.75 -4.48 117.00 115.03 1wda n LEU 620 Ca -0.28 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.72 1wda n LEU 620 Cb 1.05 0.36 0.17 0.00 -2.33 0.00 0.00 43.42 42.67 1wda n LEU 620 CO 0.43 0.36 1.27 -0.33 -1.33 0.00 0.00 177.39 177.79 1wda h GLU 621 N 0.00 1.15 0.00 3.23 5.08 -1.39 -1.64 114.58 121.02 1wda h GLU 621 Ca -0.40 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1wda h GLU 621 Cb 1.90 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1wda h GLU 621 CO 0.02 0.76 0.00 -2.30 -1.00 0.00 0.00 179.01 176.50 1wda n PRO 622 N -4.50 0.11 0.00 2.33 -0.02 -1.26 -0.69 135.00 130.97 1wda n PRO 622 Ca 0.15 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 1wda n PRO 622 Cb 0.17 -1.77 0.42 0.00 -0.02 0.00 0.00 33.50 32.30 1wda n PRO 622 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1wda n LEU 623 N -1.98 0.82 0.00 2.45 4.77 -0.64 -4.95 117.00 117.47 1wda n LEU 623 Ca 0.01 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1wda n LEU 623 Cb 0.11 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1wda n LEU 623 CO 0.12 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1wda n GLY 624 N 1.35 1.10 3.87 -0.72 0.00 0.13 -4.42 105.19 106.49 1wda n GLY 624 Ca 0.12 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1wda n GLY 624 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wda s LEU 625 N 0.00 4.34 -0.35 0.99 1.02 -1.07 -4.83 118.68 118.78 1wda s LEU 625 Ca 0.00 0.45 -0.10 0.00 0.02 0.00 0.00 54.13 54.50 1wda s LEU 625 Cb 0.00 -2.06 0.02 0.00 0.02 0.00 0.00 46.19 44.16 1wda s LEU 625 CO 0.00 0.41 0.18 -1.58 0.02 0.00 0.00 176.35 175.38 1wda s GLN 626 N -1.03 2.99 -0.39 1.70 0.74 0.73 -3.93 119.66 120.47 1wda s GLN 626 Ca 0.15 -0.96 -0.18 0.00 0.05 0.00 0.00 55.36 54.42 1wda s GLN 626 Cb -0.12 -3.67 0.01 0.00 1.10 0.00 0.00 33.01 30.33 1wda s GLN 626 CO 0.04 -0.60 0.49 0.00 -0.55 0.00 0.00 175.29 174.67 1wda s THR 628 N 2.33 5.11 -0.19 0.00 2.01 -0.61 -5.01 115.64 119.28 1wda s THR 628 Ca 0.16 -0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.90 1wda s THR 628 Cb -0.16 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1wda s THR 628 CO 0.14 0.15 0.59 -0.36 -0.69 0.00 0.00 174.62 174.45 1wda s PHE 629 N 1.71 3.38 -0.15 4.92 0.40 -1.26 -1.22 117.98 125.78 1wda s PHE 629 Ca 0.06 0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 57.26 1wda s PHE 629 Cb -0.16 -2.74 -0.02 0.00 0.51 0.00 0.00 43.02 40.60 1wda s PHE 629 CO 0.10 -0.13 -0.10 0.42 0.70 0.00 0.00 175.22 176.21 1wda s ILE 630 N 1.73 3.32 -0.46 0.64 1.01 0.11 -4.68 121.20 122.86 1wda s ILE 630 Ca 0.27 -0.56 -0.27 0.00 0.00 0.00 0.00 60.65 60.09 1wda s ILE 630 Cb -0.16 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 1wda s ILE 630 CO 0.10 0.51 1.87 0.21 0.00 0.00 0.00 174.94 177.63 1wda s ASN 631 N 0.47 5.52 -0.04 3.58 3.84 -1.26 -0.96 114.94 126.08 1wda s ASN 631 Ca -0.07 0.90 0.06 0.00 0.21 0.00 0.00 52.86 53.96 1wda s ASN 631 Cb -0.15 -2.53 0.10 0.00 -0.55 0.00 0.00 41.25 38.12 1wda s ASN 631 CO 0.04 -2.07 1.02 -0.90 -2.79 0.00 0.00 177.10 172.40 1wda n ASP 632 N 11.74 1.94 0.17 -4.21 3.85 -1.26 -4.49 116.55 124.28 1wda n ASP 632 Ca 0.23 -2.31 -0.13 0.00 -0.71 0.00 0.00 54.79 51.87 1wda n ASP 632 Cb 0.50 -0.15 -0.08 0.00 -1.35 0.00 0.00 41.12 40.04 1wda n ASP 632 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 1wda h PHE 633 N 0.00 -0.42 -0.01 2.11 3.04 -1.91 0.17 116.94 119.92 1wda h PHE 633 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1wda h PHE 633 Cb 0.72 0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.37 1wda h PHE 633 CO 0.00 -0.10 -0.15 1.19 -2.02 0.00 0.00 178.31 177.23 1wda n PHE 634 N -5.15 0.00 -0.13 0.41 3.01 -1.26 -1.75 117.46 112.59 1wda n PHE 634 Ca -0.10 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.12 1wda n PHE 634 Cb 0.27 -0.08 -0.10 0.00 -0.01 0.00 0.00 39.48 39.57 1wda n PHE 634 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1wda n THR 635 N -0.35 1.39 -0.07 4.37 5.66 -1.14 -4.78 114.28 119.37 1wda n THR 635 Ca 0.15 -0.40 -0.14 0.00 -3.05 0.00 0.00 64.05 60.61 1wda n THR 635 Cb 0.35 -1.73 -0.05 0.00 -1.55 0.00 0.00 70.33 67.35 1wda n THR 635 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1wda n TYR 636 N -3.92 0.00 -0.16 1.09 4.02 0.48 -4.66 117.16 114.02 1wda n TYR 636 Ca -0.48 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.33 1wda n TYR 636 Cb 0.88 -0.48 0.01 0.00 -0.02 0.00 0.00 39.34 39.73 1wda n TYR 636 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1wda h HIS 637 N -0.49 0.63 0.00 -0.72 2.76 -0.73 -0.05 115.15 116.55 1wda h HIS 637 Ca -0.33 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 1wda h HIS 637 Cb 1.26 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1wda h HIS 637 CO -0.05 0.46 0.00 0.97 -1.30 0.00 0.00 177.93 178.01 1wda h ILE 638 N 0.62 0.00 -0.64 6.26 2.10 -1.60 -1.18 117.51 123.07 1wda h ILE 638 Ca 0.17 -0.16 -0.32 0.00 1.08 0.00 0.00 64.86 65.63 1wda h ILE 638 Cb 0.03 0.91 -0.19 0.00 -1.09 0.00 0.00 36.82 36.48 1wda h ILE 638 CO -0.03 0.00 0.24 0.54 -1.08 0.00 0.00 178.15 177.82 1wda n ARG 639 N -2.59 2.10 -1.88 2.19 3.00 -0.05 -4.98 116.66 114.45 1wda n ARG 639 Ca -0.00 -3.11 -0.06 0.00 -0.01 0.00 0.00 57.85 54.67 1wda n ARG 639 Cb 0.14 -1.99 -0.01 0.00 0.00 0.00 0.00 32.46 30.61 1wda n ARG 639 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1wda n HIS 640 N -1.09 -0.20 -3.74 -1.55 8.25 -0.45 -5.01 115.22 111.44 1wda n HIS 640 Ca 0.45 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.82 1wda n HIS 640 Cb 1.32 -1.68 0.03 0.00 1.12 0.00 0.00 29.99 30.78 1wda n HIS 640 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wda n GLY 641 N -1.32 1.10 0.00 -1.41 0.00 -1.13 -4.95 105.19 97.48 1wda n GLY 641 Ca -0.06 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1wda n GLY 641 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wda n GLU 642 N -0.49 0.00 -0.07 1.61 -0.58 -1.26 -2.16 120.64 117.68 1wda n GLU 642 Ca -0.08 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.57 1wda n GLU 642 Cb 0.54 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.47 1wda n GLU 642 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1wda h VAL 643 N 0.00 1.28 -0.42 2.62 2.07 -1.85 -1.68 116.25 118.27 1wda h VAL 643 Ca 0.00 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 65.93 1wda h VAL 643 Cb 0.00 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1wda h VAL 643 CO 0.00 0.49 -0.10 -0.74 0.02 0.00 0.00 177.57 177.24 1wda h HIS 644 N 0.64 0.91 -0.30 1.57 6.17 -1.47 -2.93 115.15 119.74 1wda h HIS 644 Ca 0.07 -0.19 -0.01 0.00 0.71 0.00 0.00 60.37 60.94 1wda h HIS 644 Cb 0.88 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 30.57 1wda h HIS 644 CO 0.05 0.92 0.12 0.00 0.71 0.00 0.00 177.93 179.73 1wda h ALA 645 N 0.85 1.66 -0.35 5.26 0.00 -1.70 -2.48 119.26 122.50 1wda h ALA 645 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wda h ALA 645 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1wda h ALA 645 CO 0.04 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1wda n GLY 646 N -1.28 0.84 3.29 0.00 0.00 -0.67 -2.16 105.19 105.21 1wda n GLY 646 Ca 0.01 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 1wda n GLY 646 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wda s THR 647 N -1.54 0.01 0.00 2.61 -4.23 -0.94 -4.28 115.64 107.28 1wda s THR 647 Ca 0.30 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.53 1wda s THR 647 Cb 0.16 -2.50 0.08 0.00 1.34 0.00 0.00 72.50 71.58 1wda s THR 647 CO 0.22 0.00 0.71 0.21 -0.54 0.00 0.00 174.62 175.22 1wda s ASN 648 N -3.39 -0.58 -0.03 3.99 3.84 -0.82 -1.86 114.94 116.08 1wda s ASN 648 Ca 0.41 0.42 0.01 0.00 0.21 0.00 0.00 52.86 53.91 1wda s ASN 648 Cb 0.02 0.52 0.02 0.00 -0.55 0.00 0.00 41.25 41.26 1wda s ASN 648 CO 0.29 -0.69 -0.03 -0.69 -2.79 0.00 0.00 177.10 173.19 1wda s VAL 649 N -2.09 0.38 -0.12 -5.21 1.01 -1.26 -0.55 120.40 112.56 1wda s VAL 649 Ca -0.05 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 1wda s VAL 649 Cb -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1wda s VAL 649 CO 0.01 0.17 0.45 -0.60 0.00 0.00 0.00 175.10 175.13 1wda s ARG 650 N 0.68 4.32 0.30 2.72 3.52 -0.51 -4.68 118.95 125.31 1wda s ARG 650 Ca -0.08 0.41 0.08 0.00 -0.13 0.00 0.00 55.73 56.00 1wda s ARG 650 Cb -0.11 -3.43 -0.06 0.00 -1.56 0.00 0.00 34.95 29.79 1wda s ARG 650 CO -0.00 0.18 -0.07 1.03 -0.81 0.00 0.00 175.30 175.62 1wda s ARG 651 N 0.58 1.64 0.17 5.12 0.52 -1.26 -1.13 118.95 124.58 1wda s ARG 651 Ca 0.25 -1.84 -0.31 0.00 -0.52 0.00 0.00 55.73 53.31 1wda s ARG 651 Cb -0.15 -1.34 -0.09 0.00 0.52 0.00 0.00 34.95 33.89 1wda s ARG 651 CO 0.09 0.07 1.46 0.21 0.02 0.00 0.00 175.30 177.15 1wda s LYS 652 N -3.69 4.28 0.57 3.54 2.20 -0.29 -4.90 119.74 121.45 1wda s LYS 652 Ca 0.31 2.22 -0.20 0.00 -0.36 0.00 0.00 55.97 57.94 1wda s LYS 652 Cb 0.03 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 1wda s LYS 652 CO 0.14 -0.48 1.26 -2.14 -0.36 0.00 0.00 175.35 173.77 1wda s PRO 653 N 0.71 3.06 0.36 4.03 0.02 -1.26 -4.69 135.00 137.23 1wda s PRO 653 Ca 0.65 1.98 -0.28 0.00 0.02 0.00 0.00 61.00 63.36 1wda s PRO 653 Cb -0.40 -2.08 -0.12 0.00 0.02 0.00 0.00 34.50 31.93 1wda s PRO 653 CO 0.34 -1.18 1.43 1.19 -0.33 0.00 0.00 177.00 178.45 1wda n PHE 654 N -1.33 2.75 0.19 6.54 3.01 -1.26 -4.88 117.46 122.48 1wda n PHE 654 Ca 0.12 0.47 0.03 0.00 1.01 0.00 0.00 57.45 59.08 1wda n PHE 654 Cb 0.48 -2.50 0.38 0.00 -0.01 0.00 0.00 39.48 37.83 1wda n PHE 654 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1wda h SER 655 N 2.92 0.00 -3.22 4.37 0.02 -1.97 -3.43 113.55 112.24 1wda h SER 655 Ca -0.49 -0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.93 1wda h SER 655 Cb 1.25 -0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.83 1wda h SER 655 CO 0.64 0.34 0.71 0.12 -1.14 0.00 0.00 176.83 177.50 1wda s PHE 656 N -4.28 3.20 -0.14 3.45 5.36 -1.26 -4.97 117.98 119.35 1wda s PHE 656 Ca -0.03 1.06 -0.20 0.00 -0.96 0.00 0.00 56.93 56.80 1wda s PHE 656 Cb 0.15 -3.69 -0.04 0.00 -0.34 0.00 0.00 43.02 39.11 1wda s PHE 656 CO 0.72 -2.27 0.57 0.15 -1.46 0.00 0.00 175.22 172.93 1wda s LYS 657 N 0.32 4.31 0.50 10.12 -0.14 -1.26 -4.96 119.74 128.62 1wda s LYS 657 Ca 0.60 0.58 0.19 0.00 -1.36 0.00 0.00 55.97 55.99 1wda s LYS 657 Cb -0.38 -3.49 1.25 0.00 -1.68 0.00 0.00 37.83 33.53 1wda s LYS 657 CO 0.36 0.00 2.03 0.11 -0.76 0.00 0.00 175.35 177.09 1wda h TRP 658 N 7.01 0.13 0.00 3.18 5.08 -1.93 -1.39 115.95 128.03 1wda h TRP 658 Ca -0.38 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.60 1wda h TRP 658 Cb 1.17 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 27.29 1wda h TRP 658 CO 0.66 0.06 0.00 0.11 -1.28 0.00 0.00 178.44 177.99 1wda h TRP 659 N 0.13 0.00 -0.01 0.12 0.09 -1.95 -1.93 115.95 112.39 1wda h TRP 659 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.17 1wda h TRP 659 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.84 1wda h TRP 659 CO -0.00 0.00 0.00 0.09 0.09 0.00 0.00 178.44 178.62 1wda n ASN 660 N -2.65 0.33 -4.89 0.11 3.02 -0.52 -1.33 115.26 109.33 1wda n ASN 660 Ca 0.02 -1.24 -0.29 0.00 -0.03 0.00 0.00 54.58 53.03 1wda n ASN 660 Cb 0.28 -0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1wda n ASN 660 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1wda s MET 661 N -1.98 3.60 -0.69 3.52 1.75 -0.73 -4.04 119.30 120.73 1wda s MET 661 Ca 0.40 0.40 0.05 0.00 -1.25 0.00 0.00 55.69 55.29 1wda s MET 661 Cb 0.19 -2.30 0.19 0.00 2.84 0.00 0.00 34.83 35.75 1wda s MET 661 CO 0.31 -0.27 0.57 1.33 -0.65 0.00 0.00 175.02 176.30 1wda n VAL 662 N -2.23 1.84 0.00 10.11 0.24 -1.26 -3.31 118.33 123.73 1wda n VAL 662 Ca 0.02 -4.97 0.00 0.00 -2.04 0.00 0.00 64.34 57.36 1wda n VAL 662 Cb 0.55 -2.16 0.00 0.00 -1.47 0.00 0.00 33.84 30.75 1wda n VAL 662 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88