#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa1 h ALA 3 N 0.00 1.31 -0.09 -1.67 0.00 -2.01 -2.70 119.26 114.09 1wa1 h ALA 3 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1wa1 h ALA 3 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1wa1 h ALA 3 CO 0.00 0.24 -0.15 -0.44 0.00 0.00 0.00 179.25 178.90 1wa1 h ASP 4 N 0.00 0.14 0.44 0.00 3.32 -2.04 -2.83 116.42 115.45 1wa1 h ASP 4 Ca -0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1wa1 h ASP 4 Cb 0.46 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1wa1 h ASP 4 CO 0.02 0.30 -0.22 0.29 -1.72 0.00 0.00 179.24 177.92 1wa1 n LYS 5 N -4.29 0.49 -2.18 3.56 4.01 -1.02 -4.94 118.16 113.79 1wa1 n LYS 5 Ca -0.01 -0.22 -0.31 0.00 -0.51 0.00 0.00 58.31 57.26 1wa1 n LYS 5 Cb 0.26 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.27 1wa1 n LYS 5 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1wa1 s LEU 6 N -2.66 3.45 0.44 -0.35 1.43 -1.07 -5.03 118.68 114.89 1wa1 s LEU 6 Ca 0.22 1.47 -0.25 0.00 -1.03 0.00 0.00 54.13 54.54 1wa1 s LEU 6 Cb 0.19 -4.46 -0.08 0.00 0.03 0.00 0.00 46.19 41.87 1wa1 s LEU 6 CO 0.54 -0.71 1.37 -2.84 0.23 0.00 0.00 176.35 174.94 1wa1 s PRO 7 N -4.59 3.76 -0.07 1.29 0.02 -1.26 -4.76 135.00 129.39 1wa1 s PRO 7 Ca 0.57 2.29 -0.05 0.00 0.02 0.00 0.00 61.00 63.82 1wa1 s PRO 7 Cb -0.10 -2.66 -0.04 0.00 0.02 0.00 0.00 34.50 31.71 1wa1 s PRO 7 CO 0.42 -0.71 0.16 -1.01 -0.33 0.00 0.00 177.00 175.53 1wa1 s HIS 8 N -1.24 3.58 0.22 6.54 3.76 -1.26 -1.35 115.29 125.54 1wa1 s HIS 8 Ca 0.60 0.45 0.09 0.00 -0.15 0.00 0.00 55.06 56.05 1wa1 s HIS 8 Cb -0.41 -1.89 -0.05 0.00 1.11 0.00 0.00 32.58 31.34 1wa1 s HIS 8 CO 0.52 0.70 -0.16 0.95 -0.85 0.00 0.00 174.74 175.90 1wa1 s THR 9 N -1.16 1.92 -0.11 1.30 -4.23 -0.17 -4.93 115.64 108.26 1wa1 s THR 9 Ca 0.20 -2.22 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 1wa1 s THR 9 Cb -0.12 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1wa1 s THR 9 CO 0.11 -0.51 -0.23 -0.54 -0.54 0.00 0.00 174.62 172.91 1wa1 s LYS 10 N -3.50 2.96 -0.11 3.99 1.02 -1.26 -0.62 119.74 122.22 1wa1 s LYS 10 Ca 0.23 -0.84 -0.00 0.00 0.02 0.00 0.00 55.97 55.38 1wa1 s LYS 10 Cb -0.02 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 1wa1 s LYS 10 CO 0.09 0.10 -0.08 0.08 -0.92 0.00 0.00 175.35 174.62 1wa1 s VAL 11 N 0.53 3.52 -0.27 3.17 1.01 -0.80 -4.95 120.40 122.60 1wa1 s VAL 11 Ca -0.15 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1wa1 s VAL 11 Cb -0.17 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1wa1 s VAL 11 CO 0.05 0.55 0.36 -0.89 0.00 0.00 0.00 175.10 175.17 1wa1 s THR 12 N -0.16 5.18 0.53 3.92 2.01 -1.26 -4.69 115.64 121.17 1wa1 s THR 12 Ca 0.01 0.55 -0.16 0.00 0.31 0.00 0.00 61.69 62.41 1wa1 s THR 12 Cb -0.13 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 1wa1 s THR 12 CO 0.03 0.16 1.00 -0.76 -0.69 0.00 0.00 174.62 174.36 1wa1 s LEU 13 N 2.03 3.58 0.17 4.42 1.43 -1.26 -4.85 118.68 124.20 1wa1 s LEU 13 Ca 0.15 1.59 0.09 0.00 -1.03 0.00 0.00 54.13 54.92 1wa1 s LEU 13 Cb -0.16 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.51 1wa1 s LEU 13 CO 0.10 -0.67 -0.19 0.68 0.23 0.00 0.00 176.35 176.49 1wa1 s VAL 14 N -2.64 1.90 0.25 -1.59 -7.23 -1.26 -5.02 120.40 104.81 1wa1 s VAL 14 Ca 0.59 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 1wa1 s VAL 14 Cb -0.11 -1.88 -0.10 0.00 0.56 0.00 0.00 36.38 34.85 1wa1 s VAL 14 CO 0.33 -0.28 1.41 0.00 -0.31 0.00 0.00 175.10 176.26 1wa1 s ALA 15 N -1.97 3.60 0.67 1.32 0.00 -1.26 -4.56 121.76 119.56 1wa1 s ALA 15 Ca 0.16 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 1wa1 s ALA 15 Cb -0.06 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1wa1 s ALA 15 CO 0.07 -0.71 0.79 -2.30 0.00 0.00 0.00 175.76 173.61 1wa1 n PRO 16 N 2.21 0.56 -0.03 0.00 -0.02 -1.26 -2.30 135.00 134.16 1wa1 n PRO 16 Ca 0.06 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 1wa1 n PRO 16 Cb 0.41 -2.03 0.54 0.00 -0.02 0.00 0.00 33.50 32.39 1wa1 n PRO 16 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wa1 n PRO 17 N -1.09 1.30 -1.60 0.52 -0.04 -1.26 -5.06 135.00 127.76 1wa1 n PRO 17 Ca 0.12 -0.44 -0.30 0.00 -0.04 0.00 0.00 63.50 62.84 1wa1 n PRO 17 Cb 0.49 -1.37 0.08 0.00 -0.04 0.00 0.00 33.50 32.66 1wa1 n PRO 17 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wa1 s GLN 18 N -1.93 2.31 -0.02 0.54 1.11 -0.97 -0.77 119.66 119.93 1wa1 s GLN 18 Ca 0.33 0.66 0.05 0.00 0.01 0.00 0.00 55.36 56.41 1wa1 s GLN 18 Cb 0.16 -1.94 -0.01 0.00 -1.01 0.00 0.00 33.01 30.21 1wa1 s GLN 18 CO 0.26 -1.47 -0.17 0.08 0.01 0.00 0.00 175.29 174.00 1wa1 s VAL 19 N -3.16 1.36 0.52 1.09 1.01 -1.26 -4.66 120.40 115.31 1wa1 s VAL 19 Ca 0.60 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 1wa1 s VAL 19 Cb -0.14 -1.14 -0.06 0.00 0.00 0.00 0.00 36.38 35.04 1wa1 s VAL 19 CO 0.54 0.39 1.34 0.00 0.00 0.00 0.00 175.10 177.37 1wa1 n HIS 20 N 2.71 2.28 -1.57 5.22 1.44 -1.26 -4.89 115.22 119.15 1wa1 n HIS 20 Ca -0.15 0.44 -0.48 0.00 -2.01 0.00 0.00 57.72 55.52 1wa1 n HIS 20 Cb 0.54 -2.37 -0.03 0.00 0.12 0.00 0.00 29.99 28.25 1wa1 n HIS 20 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1wa1 n PRO 21 N -0.79 1.13 -3.52 -1.40 -0.02 -1.26 -4.98 135.00 124.16 1wa1 n PRO 21 Ca 0.09 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 1wa1 n PRO 21 Cb 0.44 -1.83 -0.02 0.00 -0.02 0.00 0.00 33.50 32.07 1wa1 n PRO 21 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1wa1 s HIS 22 N -0.48 -0.45 0.24 6.00 -3.43 -1.26 -5.07 115.29 110.84 1wa1 s HIS 22 Ca 0.69 0.19 -0.12 0.00 -0.80 0.00 0.00 55.06 55.02 1wa1 s HIS 22 Cb -0.82 0.59 -0.08 0.00 -1.43 0.00 0.00 32.58 30.84 1wa1 s HIS 22 CO 0.55 -0.91 0.61 -1.21 -2.00 0.00 0.00 174.74 171.78 1wa1 s GLU 23 N -3.73 3.90 0.00 -0.38 2.02 -1.26 -5.08 118.70 114.17 1wa1 s GLU 23 Ca 0.04 0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.46 1wa1 s GLU 23 Cb -0.02 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.57 1wa1 s GLU 23 CO -0.08 0.30 0.00 1.04 0.02 0.00 0.00 175.26 176.54 1wa1 n GLN 24 N -0.02 0.00 -1.82 1.61 6.02 -1.26 -4.90 117.38 117.00 1wa1 n GLN 24 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1wa1 n GLN 24 Cb 0.52 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.79 1wa1 n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wa1 s ALA 25 N -4.00 3.36 0.00 -1.58 0.00 -1.26 -4.42 121.76 113.86 1wa1 s ALA 25 Ca 0.00 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.42 1wa1 s ALA 25 Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1wa1 s ALA 25 CO 0.00 -1.11 0.05 -0.08 0.00 0.00 0.00 175.76 174.62 1wa1 s THR 26 N -1.18 0.07 -1.94 0.00 -1.32 -0.23 -4.90 115.64 106.14 1wa1 s THR 26 Ca 0.58 -0.56 0.27 0.00 -1.21 0.00 0.00 61.69 60.77 1wa1 s THR 26 Cb -0.44 -0.26 0.37 0.00 -1.51 0.00 0.00 72.50 70.66 1wa1 s THR 26 CO 0.58 -0.31 1.65 0.29 -2.21 0.00 0.00 174.62 174.63 1wa1 n LYS 27 N 2.02 1.04 -2.35 7.08 5.02 -1.26 -4.74 118.16 124.97 1wa1 n LYS 27 Ca -0.20 -0.58 -0.35 0.00 -2.02 0.00 0.00 58.31 55.15 1wa1 n LYS 27 Cb 0.57 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.08 1wa1 n LYS 27 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wa1 s SER 28 N -2.36 6.07 0.73 4.39 0.15 -1.26 -5.06 113.70 116.35 1wa1 s SER 28 Ca 0.29 2.14 -0.05 0.00 0.70 0.00 0.00 55.95 59.03 1wa1 s SER 28 Cb 0.20 -2.58 0.11 0.00 -1.71 0.00 0.00 66.02 62.03 1wa1 s SER 28 CO 0.47 -0.98 1.02 -0.83 1.20 0.00 0.00 173.24 174.11 1wa1 s GLY 29 N -1.69 1.75 0.41 9.45 0.00 -1.26 -5.04 107.32 110.94 1wa1 s GLY 29 Ca 0.68 -1.36 -0.25 0.00 0.00 0.00 0.00 44.72 43.79 1wa1 s GLY 29 CO 0.27 -0.85 1.14 -1.05 0.00 0.00 0.00 173.10 172.61 1wa1 n PRO 30 N -2.93 1.63 -4.26 2.90 -0.02 -1.26 -5.01 135.00 126.04 1wa1 n PRO 30 Ca 0.12 0.58 -0.14 0.00 -2.02 0.00 0.00 63.50 62.04 1wa1 n PRO 30 Cb 0.60 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 1wa1 n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1wa1 s LYS 31 N -2.09 1.18 -0.41 -0.52 1.02 -1.26 -4.57 119.74 113.08 1wa1 s LYS 31 Ca 0.62 -1.58 -0.19 0.00 0.02 0.00 0.00 55.97 54.84 1wa1 s LYS 31 Cb -0.54 -0.34 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 1wa1 s LYS 31 CO 0.57 -0.13 0.57 0.08 -0.92 0.00 0.00 175.35 175.53 1wa1 s VAL 32 N -3.61 4.92 -0.26 3.17 1.01 -0.45 -1.12 120.40 124.06 1wa1 s VAL 32 Ca 0.26 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 1wa1 s VAL 32 Cb 0.06 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1wa1 s VAL 32 CO 0.06 -0.47 0.33 -0.69 0.00 0.00 0.00 175.10 174.33 1wa1 s VAL 33 N 2.58 5.21 -0.19 2.92 1.01 0.21 -1.00 120.40 131.15 1wa1 s VAL 33 Ca 0.20 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.59 1wa1 s VAL 33 Cb -0.15 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1wa1 s VAL 33 CO 0.17 0.20 0.13 -1.61 0.00 0.00 0.00 175.10 173.98 1wa1 s GLU 34 N 1.80 4.10 0.16 2.72 2.02 0.20 -0.84 118.70 128.87 1wa1 s GLU 34 Ca 0.14 -0.22 0.06 0.00 0.02 0.00 0.00 54.97 54.97 1wa1 s GLU 34 Cb -0.15 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 1wa1 s GLU 34 CO 0.09 0.34 -0.13 -0.06 0.02 0.00 0.00 175.26 175.52 1wa1 s PHE 35 N 0.23 1.50 -0.01 1.61 0.40 -0.49 -1.91 117.98 119.31 1wa1 s PHE 35 Ca 0.08 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.82 1wa1 s PHE 35 Cb -0.11 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.67 1wa1 s PHE 35 CO -0.01 0.22 -0.09 0.99 0.70 0.00 0.00 175.22 177.03 1wa1 s THR 36 N -2.82 0.73 0.00 0.64 2.01 -1.26 -1.28 115.64 113.66 1wa1 s THR 36 Ca 0.17 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1wa1 s THR 36 Cb -0.01 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 1wa1 s THR 36 CO 0.04 0.21 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.03 1wa1 s MET 37 N -0.15 0.82 -0.17 4.92 -1.94 -0.55 -4.93 119.30 117.31 1wa1 s MET 37 Ca 0.02 -0.45 -0.00 0.00 -1.71 0.00 0.00 55.69 53.55 1wa1 s MET 37 Cb -0.04 -0.79 0.00 0.00 2.01 0.00 0.00 34.83 36.01 1wa1 s MET 37 CO -0.00 0.21 -0.14 0.99 -0.01 0.00 0.00 175.02 176.07 1wa1 s THR 38 N -0.41 2.66 0.25 2.05 2.01 -1.26 -0.93 115.64 120.02 1wa1 s THR 38 Ca 0.03 -0.76 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 1wa1 s THR 38 Cb -0.05 -2.14 -0.09 0.00 0.01 0.00 0.00 72.50 70.23 1wa1 s THR 38 CO -0.00 0.50 1.18 -0.63 -0.69 0.00 0.00 174.62 174.98 1wa1 s ILE 39 N 1.02 3.37 -0.11 1.82 1.01 -0.39 -0.39 121.20 127.53 1wa1 s ILE 39 Ca -0.01 1.28 -0.01 0.00 0.00 0.00 0.00 60.65 61.90 1wa1 s ILE 39 Cb -0.15 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.54 1wa1 s ILE 39 CO -0.03 0.27 -0.01 -0.70 0.00 0.00 0.00 174.94 174.46 1wa1 s GLU 40 N -1.03 0.86 0.03 2.79 2.12 -0.31 -4.46 118.70 118.70 1wa1 s GLU 40 Ca 0.49 -0.11 -0.24 0.00 0.36 0.00 0.00 54.97 55.47 1wa1 s GLU 40 Cb -0.34 -1.39 -0.06 0.00 0.26 0.00 0.00 34.13 32.61 1wa1 s GLU 40 CO 0.41 -0.37 0.71 -1.21 -0.54 0.00 0.00 175.26 174.27 1wa1 s GLU 41 N 1.87 4.44 -0.05 4.30 2.02 -1.26 -1.45 118.70 128.57 1wa1 s GLU 41 Ca 0.04 0.97 -0.29 0.00 0.02 0.00 0.00 54.97 55.70 1wa1 s GLU 41 Cb -0.13 -3.35 0.09 0.00 0.10 0.00 0.00 34.13 30.83 1wa1 s GLU 41 CO -0.07 0.32 0.78 -1.59 0.02 0.00 0.00 175.26 174.73 1wa1 s LYS 42 N -0.14 0.93 0.02 1.61 -2.85 -0.71 -5.00 119.74 113.59 1wa1 s LYS 42 Ca 0.36 0.06 -0.30 0.00 -1.00 0.00 0.00 55.97 55.09 1wa1 s LYS 42 Cb -0.20 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 1wa1 s LYS 42 CO 0.21 -0.32 1.07 0.21 0.10 0.00 0.00 175.35 176.62 1wa1 s LYS 43 N -1.74 4.50 0.03 1.78 2.20 -1.26 -1.13 119.74 124.13 1wa1 s LYS 43 Ca -0.05 1.57 0.06 0.00 -0.36 0.00 0.00 55.97 57.19 1wa1 s LYS 43 Cb -0.00 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1wa1 s LYS 43 CO 0.02 -0.15 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.06 1wa1 s MET 44 N 1.06 1.18 -0.16 4.03 -1.94 0.23 -4.94 119.30 118.76 1wa1 s MET 44 Ca 0.55 -0.81 -0.21 0.00 -1.71 0.00 0.00 55.69 53.51 1wa1 s MET 44 Cb -0.25 -1.23 -0.03 0.00 2.01 0.00 0.00 34.83 35.34 1wa1 s MET 44 CO 0.28 0.31 0.62 0.08 -0.01 0.00 0.00 175.02 176.30 1wa1 s VAL 45 N -0.76 5.05 -0.34 -6.03 1.01 -1.26 -0.27 120.40 117.79 1wa1 s VAL 45 Ca 0.05 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.26 1wa1 s VAL 45 Cb -0.08 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1wa1 s VAL 45 CO 0.01 0.18 0.44 2.30 0.00 0.00 0.00 175.10 178.03 1wa1 n ILE 46 N 4.33 0.00 -4.01 2.22 -6.64 -0.30 -4.84 119.36 110.12 1wa1 n ILE 46 Ca -0.02 -0.47 -0.11 0.00 -1.77 0.00 0.00 62.75 60.38 1wa1 n ILE 46 Cb 0.50 1.05 -0.03 0.00 -1.44 0.00 0.00 39.64 39.72 1wa1 n ILE 46 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1wa1 n ASP 47 N -0.27 -0.69 -0.26 7.28 5.68 -1.25 -1.11 116.55 125.93 1wa1 n ASP 47 Ca 0.02 -2.29 0.13 0.00 -0.50 0.00 0.00 54.79 52.15 1wa1 n ASP 47 Cb 0.08 1.39 0.38 0.00 -1.14 0.00 0.00 41.12 41.82 1wa1 n ASP 47 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wa1 n ASP 48 N -1.96 1.05 -1.16 -1.12 8.00 -1.26 -3.46 116.55 116.64 1wa1 n ASP 48 Ca 0.02 -0.92 0.10 0.00 0.71 0.00 0.00 54.79 54.70 1wa1 n ASP 48 Cb 0.38 0.13 0.28 0.00 -0.02 0.00 0.00 41.12 41.89 1wa1 n ASP 48 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1wa1 n LYS 49 N -0.61 2.86 -0.46 -1.24 2.85 -1.26 -4.98 118.16 115.32 1wa1 n LYS 49 Ca 0.12 -2.51 0.00 0.00 -1.05 0.00 0.00 58.31 54.87 1wa1 n LYS 49 Cb 0.35 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 1wa1 n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wa1 n GLY 50 N 1.24 0.76 3.76 2.58 0.00 -1.22 -5.04 105.19 107.26 1wa1 n GLY 50 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1wa1 n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wa1 s THR 51 N -2.16 2.06 0.15 2.61 2.01 -1.26 -4.88 115.64 114.17 1wa1 s THR 51 Ca 0.00 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.11 1wa1 s THR 51 Cb 0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1wa1 s THR 51 CO 0.00 0.01 0.04 0.42 -0.69 0.00 0.00 174.62 174.40 1wa1 s THR 52 N -0.21 4.04 -0.09 -0.82 -4.23 -1.26 -1.15 115.64 111.92 1wa1 s THR 52 Ca 0.61 -1.20 0.05 0.00 -1.18 0.00 0.00 61.69 59.97 1wa1 s THR 52 Cb -0.48 -3.02 -0.00 0.00 1.34 0.00 0.00 72.50 70.35 1wa1 s THR 52 CO 0.51 -0.05 -0.24 -0.22 -0.54 0.00 0.00 174.62 174.08 1wa1 s LEU 53 N -2.82 2.08 -0.85 4.79 2.96 0.62 -4.93 118.68 120.53 1wa1 s LEU 53 Ca 0.28 -0.54 -0.25 0.00 -0.22 0.00 0.00 54.13 53.40 1wa1 s LEU 53 Cb -0.10 -1.39 0.03 0.00 0.50 0.00 0.00 46.19 45.23 1wa1 s LEU 53 CO 0.20 0.18 1.44 -1.10 -1.32 0.00 0.00 176.35 175.75 1wa1 s GLN 54 N 0.22 3.25 0.27 1.98 -1.52 -1.26 -0.60 119.66 122.00 1wa1 s GLN 54 Ca -0.15 -0.51 0.05 0.00 -1.95 0.00 0.00 55.36 52.80 1wa1 s GLN 54 Cb -0.17 -4.71 -0.03 0.00 -0.22 0.00 0.00 33.01 27.88 1wa1 s GLN 54 CO 0.08 -2.30 0.40 0.00 -0.25 0.00 0.00 175.29 173.21 1wa1 s ALA 55 N 6.02 3.96 -0.03 6.09 0.00 -0.29 -4.91 121.76 132.60 1wa1 s ALA 55 Ca 0.44 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1wa1 s ALA 55 Cb -0.05 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.33 1wa1 s ALA 55 CO 0.05 0.16 -0.04 -1.64 0.00 0.00 0.00 175.76 174.29 1wa1 s MET 56 N -4.05 0.65 0.04 0.00 -1.94 -0.44 -1.75 119.30 111.81 1wa1 s MET 56 Ca 0.37 -0.09 0.02 0.00 -1.71 0.00 0.00 55.69 54.27 1wa1 s MET 56 Cb -0.09 -0.68 -0.03 0.00 2.01 0.00 0.00 34.83 36.04 1wa1 s MET 56 CO 0.30 -0.04 -0.07 0.95 -0.01 0.00 0.00 175.02 176.15 1wa1 s THR 57 N 0.70 0.45 -0.14 2.05 -4.23 -0.53 -2.57 115.64 111.37 1wa1 s THR 57 Ca -0.09 -1.15 -0.25 0.00 -1.18 0.00 0.00 61.69 59.03 1wa1 s THR 57 Cb -0.12 -0.67 -0.02 0.00 1.34 0.00 0.00 72.50 73.03 1wa1 s THR 57 CO -0.00 -0.47 0.80 -0.36 -0.54 0.00 0.00 174.62 174.04 1wa1 s PHE 58 N -1.69 3.46 -2.12 3.99 0.08 -1.26 -1.17 117.98 119.27 1wa1 s PHE 58 Ca -0.09 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.22 1wa1 s PHE 58 Cb -0.08 -2.96 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 1wa1 s PHE 58 CO -0.01 -0.16 0.00 0.09 -0.10 0.00 0.00 175.22 175.05 1wa1 n ASN 59 N 4.85 -5.45 0.00 1.36 4.13 0.47 -3.00 115.26 117.62 1wa1 n ASN 59 Ca 0.03 0.47 0.00 0.00 1.68 0.00 0.00 54.58 56.76 1wa1 n ASN 59 Cb 0.49 -4.71 0.00 0.00 -1.54 0.00 0.00 39.78 34.02 1wa1 n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wa1 n GLY 60 N -0.52 1.04 3.34 7.41 0.00 -1.26 -5.01 105.19 110.20 1wa1 n GLY 60 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1wa1 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wa1 s SER 61 N -3.06 2.86 -0.23 1.61 1.04 -1.16 -5.01 113.70 109.74 1wa1 s SER 61 Ca 0.00 -0.79 -0.03 0.00 0.48 0.00 0.00 55.95 55.61 1wa1 s SER 61 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1wa1 s SER 61 CO 0.00 0.05 -0.04 -0.04 0.98 0.00 0.00 173.24 174.19 1wa1 s MET 62 N -2.38 3.21 1.06 4.02 -1.94 -1.26 -3.10 119.30 118.92 1wa1 s MET 62 Ca 0.13 -0.73 -0.16 0.00 -1.71 0.00 0.00 55.69 53.22 1wa1 s MET 62 Cb -0.08 -3.01 0.22 0.00 2.01 0.00 0.00 34.83 33.97 1wa1 s MET 62 CO 0.06 -0.26 1.17 -1.25 -0.01 0.00 0.00 175.02 174.73 1wa1 s PRO 63 N 1.44 -0.10 1.13 2.03 0.04 -1.26 -3.40 135.00 134.88 1wa1 s PRO 63 Ca 0.04 -0.02 -0.13 0.00 0.04 0.00 0.00 61.00 60.93 1wa1 s PRO 63 Cb -0.15 -1.72 0.27 0.00 0.04 0.00 0.00 34.50 32.93 1wa1 s PRO 63 CO -0.04 -2.98 1.04 0.20 0.04 0.00 0.00 177.00 175.27 1wa1 s GLY 64 N -4.13 1.55 0.63 0.56 0.00 0.27 -4.75 107.32 101.45 1wa1 s GLY 64 Ca 0.70 -0.13 -0.17 0.00 0.00 0.00 0.00 44.72 45.11 1wa1 s GLY 64 CO 0.55 0.56 1.17 2.56 0.00 0.00 0.00 173.10 177.93 1wa1 s PRO 65 N -4.54 2.82 -0.04 2.90 0.04 -1.26 -4.54 135.00 130.39 1wa1 s PRO 65 Ca 0.68 1.65 -0.28 0.00 0.04 0.00 0.00 61.00 63.09 1wa1 s PRO 65 Cb -0.24 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1wa1 s PRO 65 CO 0.63 -1.28 0.91 0.99 0.04 0.00 0.00 177.00 178.29 1wa1 s THR 66 N -1.92 4.90 -0.19 1.26 2.01 -1.26 -4.25 115.64 116.19 1wa1 s THR 66 Ca 0.73 1.89 -0.12 0.00 0.31 0.00 0.00 61.69 64.50 1wa1 s THR 66 Cb -0.26 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 67.96 1wa1 s THR 66 CO 0.37 0.16 0.22 -0.76 -0.69 0.00 0.00 174.62 173.92 1wa1 s LEU 67 N 1.12 4.19 -0.13 4.42 1.02 -0.63 -4.53 118.68 124.15 1wa1 s LEU 67 Ca 0.48 0.34 0.03 0.00 0.02 0.00 0.00 54.13 54.99 1wa1 s LEU 67 Cb -0.20 -2.24 0.01 0.00 0.02 0.00 0.00 46.19 43.78 1wa1 s LEU 67 CO 0.24 0.10 -0.21 -0.69 0.02 0.00 0.00 176.35 175.80 1wa1 s VAL 68 N 0.66 2.17 0.38 -1.59 1.01 -1.26 -0.13 120.40 121.64 1wa1 s VAL 68 Ca 0.12 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1wa1 s VAL 68 Cb -0.13 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1wa1 s VAL 68 CO 0.03 0.55 0.20 1.33 0.00 0.00 0.00 175.10 177.20 1wa1 n VAL 69 N 3.91 0.00 -4.17 2.92 0.24 -0.52 -5.00 118.33 115.70 1wa1 n VAL 69 Ca -0.20 -2.40 -0.27 0.00 -2.04 0.00 0.00 64.34 59.43 1wa1 n VAL 69 Cb 0.52 0.99 -0.08 0.00 -1.47 0.00 0.00 33.84 33.81 1wa1 n VAL 69 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1wa1 s HIS 70 N -3.19 2.90 0.17 6.34 3.76 -1.26 -1.01 115.29 123.00 1wa1 s HIS 70 Ca 0.28 -0.10 -0.34 0.00 -0.15 0.00 0.00 55.06 54.76 1wa1 s HIS 70 Cb 0.01 -1.43 -0.14 0.00 1.11 0.00 0.00 32.58 32.13 1wa1 s HIS 70 CO 0.20 0.50 1.56 -1.91 -0.85 0.00 0.00 174.74 174.24 1wa1 n GLU 71 N 0.05 2.16 0.00 1.40 2.13 0.17 -1.05 120.64 125.49 1wa1 n GLU 71 Ca -0.10 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1wa1 n GLU 71 Cb 0.54 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1wa1 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wa1 n GLY 72 N 3.27 2.53 3.66 8.31 0.00 -0.32 -4.66 105.19 117.99 1wa1 n GLY 72 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1wa1 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wa1 s ASP 73 N -1.54 2.84 -0.10 1.61 1.01 -0.22 -4.65 116.67 115.62 1wa1 s ASP 73 Ca 0.00 1.59 0.01 0.00 0.71 0.00 0.00 52.55 54.85 1wa1 s ASP 73 Cb 0.00 -2.24 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 1wa1 s ASP 73 CO 0.00 -3.05 -0.11 -0.31 0.21 0.00 0.00 175.17 171.91 1wa1 s TYR 74 N -2.80 2.83 -0.15 4.23 1.51 -0.27 -0.78 117.35 121.92 1wa1 s TYR 74 Ca 0.65 -0.34 -0.16 0.00 -1.01 0.00 0.00 57.07 56.21 1wa1 s TYR 74 Cb -0.20 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1wa1 s TYR 74 CO 0.59 0.02 0.40 0.08 -1.11 0.00 0.00 175.55 175.53 1wa1 s VAL 75 N -0.16 5.23 -0.32 0.71 1.01 0.26 -0.62 120.40 126.51 1wa1 s VAL 75 Ca 0.00 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.77 1wa1 s VAL 75 Cb -0.13 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.61 1wa1 s VAL 75 CO 0.03 0.33 0.06 -1.58 0.00 0.00 0.00 175.10 173.94 1wa1 s GLN 76 N 0.72 1.23 -0.17 2.72 0.74 -0.02 -1.29 119.66 123.60 1wa1 s GLN 76 Ca 0.21 -1.53 -0.07 0.00 0.05 0.00 0.00 55.36 54.02 1wa1 s GLN 76 Cb -0.14 -2.74 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 1wa1 s GLN 76 CO 0.07 -0.93 0.06 -1.17 -0.55 0.00 0.00 175.29 172.77 1wa1 s LEU 77 N 1.18 3.80 -0.34 3.68 2.96 0.25 -1.39 118.68 128.82 1wa1 s LEU 77 Ca 0.09 0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.95 1wa1 s LEU 77 Cb -0.18 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1wa1 s LEU 77 CO -0.14 0.19 0.29 -0.89 -1.32 0.00 0.00 176.35 174.49 1wa1 s THR 78 N 0.25 5.24 -0.24 3.68 2.01 -0.41 -1.08 115.64 125.08 1wa1 s THR 78 Ca 0.04 -0.07 -0.09 0.00 0.31 0.00 0.00 61.69 61.87 1wa1 s THR 78 Cb -0.12 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1wa1 s THR 78 CO 0.00 -0.03 0.13 -0.22 -0.69 0.00 0.00 174.62 173.82 1wa1 s LEU 79 N 1.85 3.84 -0.17 4.42 2.96 0.75 -1.48 118.68 130.86 1wa1 s LEU 79 Ca 0.09 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1wa1 s LEU 79 Cb -0.17 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1wa1 s LEU 79 CO 0.11 0.02 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.39 1wa1 s VAL 80 N 1.29 3.27 -0.54 1.68 1.01 -0.10 -1.71 120.40 125.30 1wa1 s VAL 80 Ca 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1wa1 s VAL 80 Cb -0.14 -2.43 0.14 0.00 0.00 0.00 0.00 36.38 33.95 1wa1 s VAL 80 CO 0.05 0.48 0.33 0.21 0.00 0.00 0.00 175.10 176.18 1wa1 s ASN 81 N 0.78 5.01 0.72 3.32 2.47 -0.20 -1.26 114.94 125.77 1wa1 s ASN 81 Ca -0.03 -2.69 -0.16 0.00 0.42 0.00 0.00 52.86 50.39 1wa1 s ASN 81 Cb -0.15 -1.79 0.03 0.00 -1.45 0.00 0.00 41.25 37.89 1wa1 s ASN 81 CO 0.01 -0.37 1.22 -2.65 -3.72 0.00 0.00 177.10 171.59 1wa1 n PRO 82 N 3.66 0.69 0.21 0.43 -0.02 -1.26 -0.26 135.00 138.45 1wa1 n PRO 82 Ca 0.05 0.30 0.15 0.00 -2.02 0.00 0.00 63.50 61.98 1wa1 n PRO 82 Cb 0.37 -2.46 0.70 0.00 -0.02 0.00 0.00 33.50 32.10 1wa1 n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wa1 h ALA 83 N -0.11 1.00 0.00 3.55 0.00 -1.89 -1.32 119.26 120.49 1wa1 h ALA 83 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wa1 h ALA 83 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wa1 h ALA 83 CO 0.50 0.00 0.00 1.79 0.00 0.00 0.00 179.25 181.54 1wa1 h THR 84 N 0.00 0.00 -4.39 0.00 1.35 -1.96 -3.44 112.91 104.47 1wa1 h THR 84 Ca 0.00 -0.29 -0.50 0.00 -0.55 0.00 0.00 66.41 65.08 1wa1 h THR 84 Cb 0.25 1.08 0.09 0.00 -1.73 0.00 0.00 68.15 67.83 1wa1 h THR 84 CO 0.00 0.00 0.39 0.20 -0.25 0.00 0.00 175.52 175.86 1wa1 s ASN 85 N -4.59 5.34 -0.12 5.36 0.01 -0.50 -5.00 114.94 115.44 1wa1 s ASN 85 Ca 0.03 1.29 0.15 0.00 -0.71 0.00 0.00 52.86 53.62 1wa1 s ASN 85 Cb 0.09 -2.13 -0.21 0.00 0.41 0.00 0.00 41.25 39.40 1wa1 s ASN 85 CO 0.42 -1.43 0.15 0.00 -1.51 0.00 0.00 177.10 174.73 1wa1 n ALA 86 N -3.08 1.91 -2.64 0.60 0.00 -1.26 -4.77 120.51 111.27 1wa1 n ALA 86 Ca 0.07 -0.86 -0.26 0.00 0.00 0.00 0.00 53.44 52.39 1wa1 n ALA 86 Cb 0.56 -0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 1wa1 n ALA 86 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wa1 s MET 87 N -2.61 2.30 0.57 0.00 -1.94 -1.26 -4.88 119.30 111.47 1wa1 s MET 87 Ca -0.07 -1.19 -0.17 0.00 -1.71 0.00 0.00 55.69 52.54 1wa1 s MET 87 Cb 0.06 -2.28 -0.05 0.00 2.01 0.00 0.00 34.83 34.58 1wa1 s MET 87 CO 0.66 0.44 1.06 -1.25 -0.01 0.00 0.00 175.02 175.92 1wa1 s PRO 88 N -3.03 3.40 0.28 2.03 0.04 -1.26 -4.24 135.00 132.23 1wa1 s PRO 88 Ca 0.27 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 1wa1 s PRO 88 Cb -0.09 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1wa1 s PRO 88 CO 0.18 -0.75 0.31 -1.01 0.04 0.00 0.00 177.00 175.77 1wa1 s HIS 89 N -2.26 1.20 0.00 0.56 3.76 -0.62 -4.90 115.29 113.03 1wa1 s HIS 89 Ca 0.66 -1.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 1wa1 s HIS 89 Cb -0.17 -0.38 0.00 0.00 1.11 0.00 0.00 32.58 33.14 1wa1 s HIS 89 CO 0.32 -0.89 0.00 0.27 -0.85 0.00 0.00 174.74 173.59 1wa1 n ASN 90 N -0.96 0.00 -3.78 1.40 0.23 -1.26 -0.72 115.26 110.17 1wa1 n ASN 90 Ca 0.03 -0.87 -0.13 0.00 -0.53 0.00 0.00 54.58 53.08 1wa1 n ASN 90 Cb 0.63 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.21 1wa1 n ASN 90 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1wa1 s VAL 91 N -2.83 -0.01 -0.28 3.53 0.11 -1.26 -4.26 120.40 115.39 1wa1 s VAL 91 Ca 0.00 0.04 -0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1wa1 s VAL 91 Cb 0.00 -0.31 0.05 0.00 -1.53 0.00 0.00 36.38 34.59 1wa1 s VAL 91 CO 0.00 0.02 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.12 1wa1 s ASP 92 N 0.43 4.68 -0.35 3.54 -1.08 0.33 -1.40 116.67 122.82 1wa1 s ASP 92 Ca -0.03 -1.27 -0.19 0.00 -0.52 0.00 0.00 52.55 50.54 1wa1 s ASP 92 Cb -0.04 -1.65 -0.00 0.00 -1.46 0.00 0.00 42.92 39.77 1wa1 s ASP 92 CO -0.02 -0.22 0.57 -0.36 0.52 0.00 0.00 175.17 175.66 1wa1 s PHE 93 N 1.21 3.17 0.38 -5.34 0.08 0.34 -1.44 117.98 116.38 1wa1 s PHE 93 Ca -0.06 0.27 0.38 0.00 0.12 0.00 0.00 56.93 57.64 1wa1 s PHE 93 Cb -0.20 -3.02 1.99 0.00 -0.57 0.00 0.00 43.02 41.22 1wa1 s PHE 93 CO -0.03 -0.58 2.16 0.45 -0.10 0.00 0.00 175.22 177.13 1wa1 h HIS 94 N 8.45 0.00 -0.00 0.36 3.86 -1.44 -2.03 115.15 124.35 1wa1 h HIS 94 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1wa1 h HIS 94 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1wa1 h HIS 94 CO 0.74 0.00 -0.01 0.41 0.86 0.00 0.00 177.93 179.92 1wa1 n GLY 95 N -0.90 -1.23 3.84 2.45 0.00 -1.26 -4.89 105.19 103.20 1wa1 n GLY 95 Ca -0.02 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1wa1 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa1 s ALA 96 N -2.52 3.64 -0.21 4.61 0.00 -0.76 -4.62 121.76 121.89 1wa1 s ALA 96 Ca 0.30 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1wa1 s ALA 96 Cb 0.20 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.97 1wa1 s ALA 96 CO 0.46 0.27 -0.11 0.99 0.00 0.00 0.00 175.76 177.37 1wa1 s THR 97 N -2.09 2.72 0.00 0.00 2.01 -1.26 -4.73 115.64 112.30 1wa1 s THR 97 Ca 0.33 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1wa1 s THR 97 Cb -0.08 -2.26 0.00 0.00 0.01 0.00 0.00 72.50 70.17 1wa1 s THR 97 CO 0.25 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 1wa1 n GLY 98 N 4.69 2.60 4.02 4.40 0.00 -1.26 -4.96 105.19 114.68 1wa1 n GLY 98 Ca -0.19 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 1wa1 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa1 n ALA 99 N 0.39 -1.76 -3.95 4.61 0.00 -1.26 -0.99 120.51 117.56 1wa1 n ALA 99 Ca 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 1wa1 n ALA 99 Cb 0.00 -2.25 -0.00 0.00 0.00 0.00 0.00 19.45 17.20 1wa1 n ALA 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wa1 n LEU 100 N -4.42 -2.35 0.00 0.00 4.77 -1.26 -1.26 117.00 112.48 1wa1 n LEU 100 Ca -0.18 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 1wa1 n LEU 100 Cb 0.62 -2.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.37 1wa1 n LEU 100 CO 0.78 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 1wa1 n GLY 101 N -1.75 0.36 0.00 -0.72 0.00 -0.16 -2.58 105.19 100.35 1wa1 n GLY 101 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1wa1 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa1 n GLY 102 N -1.89 0.37 0.37 -0.02 0.00 -0.39 -0.50 105.19 103.14 1wa1 n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wa1 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa1 h ALA 103 N 0.00 1.37 0.00 4.61 0.00 -0.87 -1.90 119.26 122.46 1wa1 h ALA 103 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wa1 h ALA 103 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1wa1 h ALA 103 CO 0.00 0.55 0.00 0.87 0.00 0.00 0.00 179.25 180.67 1wa1 h LYS 104 N 1.23 0.00 -0.02 0.00 6.56 -1.76 -3.02 116.57 119.55 1wa1 h LYS 104 Ca 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.96 1wa1 h LYS 104 Cb -0.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 1wa1 h LYS 104 CO -0.11 0.00 -0.10 1.28 -2.06 0.00 0.00 179.45 178.46 1wa1 n LEU 105 N -2.80 2.31 -0.71 2.94 4.77 -0.75 -4.56 117.00 118.21 1wa1 n LEU 105 Ca 0.01 -0.94 0.05 0.00 -0.03 0.00 0.00 56.01 55.10 1wa1 n LEU 105 Cb 0.25 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1wa1 n LEU 105 CO 0.24 0.41 0.30 0.35 -1.33 0.00 0.00 177.39 177.36 1wa1 n THR 106 N 0.73 1.04 -2.09 -5.08 -2.24 -1.03 -4.86 114.28 100.76 1wa1 n THR 106 Ca 0.10 -1.70 -0.43 0.00 -2.27 0.00 0.00 64.05 59.75 1wa1 n THR 106 Cb 0.44 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1wa1 n THR 106 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wa1 s ASN 107 N -2.33 5.98 -0.19 3.42 0.01 -1.24 -4.15 114.94 116.44 1wa1 s ASN 107 Ca 0.27 1.13 0.01 0.00 -0.71 0.00 0.00 52.86 53.57 1wa1 s ASN 107 Cb 0.28 -2.53 0.03 0.00 0.41 0.00 0.00 41.25 39.43 1wa1 s ASN 107 CO -0.06 -1.67 -0.18 0.68 -1.51 0.00 0.00 177.10 174.36 1wa1 s VAL 108 N 6.61 2.00 0.62 1.60 -7.23 0.11 -4.99 120.40 119.12 1wa1 s VAL 108 Ca 0.74 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.82 1wa1 s VAL 108 Cb -0.20 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1wa1 s VAL 108 CO 0.33 0.46 1.03 0.20 -0.31 0.00 0.00 175.10 176.80 1wa1 s ASN 109 N 1.30 6.17 0.25 4.85 0.01 -1.26 -1.59 114.94 124.66 1wa1 s ASN 109 Ca 0.03 1.38 -0.31 0.00 -0.71 0.00 0.00 52.86 53.25 1wa1 s ASN 109 Cb -0.14 -2.42 -0.14 0.00 0.41 0.00 0.00 41.25 38.97 1wa1 s ASN 109 CO -0.12 -0.90 1.28 -2.65 -1.51 0.00 0.00 177.10 173.20 1wa1 n PRO 110 N -2.75 1.77 -0.43 -0.60 -0.02 -1.26 -1.04 135.00 130.67 1wa1 n PRO 110 Ca 0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1wa1 n PRO 110 Cb 0.54 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1wa1 n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wa1 n GLY 111 N 1.77 1.03 3.62 -1.23 0.00 0.64 -4.73 105.19 106.30 1wa1 n GLY 111 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1wa1 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wa1 s GLU 112 N -0.42 2.09 0.13 1.61 2.02 -0.21 -4.87 118.70 119.05 1wa1 s GLU 112 Ca 0.00 -1.69 -0.07 0.00 0.02 0.00 0.00 54.97 53.23 1wa1 s GLU 112 Cb 0.00 -1.96 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 1wa1 s GLU 112 CO 0.00 0.18 0.20 1.14 0.02 0.00 0.00 175.26 176.80 1wa1 s GLN 113 N -3.70 0.99 0.12 1.61 -2.07 -1.26 -1.04 119.66 114.31 1wa1 s GLN 113 Ca 0.34 -1.16 -0.13 0.00 -1.82 0.00 0.00 55.36 52.59 1wa1 s GLN 113 Cb -0.02 0.33 0.02 0.00 -1.09 0.00 0.00 33.01 32.26 1wa1 s GLN 113 CO 0.19 -0.33 0.32 0.00 -1.32 0.00 0.00 175.29 174.15 1wa1 s ALA 114 N -3.95 -0.62 -0.10 2.60 0.00 -0.69 -5.00 121.76 114.00 1wa1 s ALA 114 Ca 0.14 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1wa1 s ALA 114 Cb 0.05 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1wa1 s ALA 114 CO -0.04 -0.60 -0.10 0.99 0.00 0.00 0.00 175.76 176.02 1wa1 s THR 115 N -3.83 1.11 -0.02 0.00 2.01 -1.26 -0.18 115.64 113.47 1wa1 s THR 115 Ca 0.05 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.71 1wa1 s THR 115 Cb 0.03 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1wa1 s THR 115 CO -0.11 0.37 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.82 1wa1 s LEU 116 N 1.32 2.73 -0.03 4.42 2.96 -0.24 -4.96 118.68 124.88 1wa1 s LEU 116 Ca -0.02 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1wa1 s LEU 116 Cb -0.14 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1wa1 s LEU 116 CO -0.04 0.32 -0.23 -0.60 -1.32 0.00 0.00 176.35 174.47 1wa1 s ARG 117 N -0.98 2.01 0.06 1.98 3.52 -1.26 -0.58 118.95 123.70 1wa1 s ARG 117 Ca 0.13 -0.84 -0.08 0.00 -0.13 0.00 0.00 55.73 54.81 1wa1 s ARG 117 Cb -0.11 -1.88 -0.00 0.00 -1.56 0.00 0.00 34.95 31.40 1wa1 s ARG 117 CO 0.02 0.47 0.16 -0.59 -0.81 0.00 0.00 175.30 174.56 1wa1 s PHE 118 N -0.45 0.14 -0.20 5.12 -0.12 -0.41 -4.99 117.98 117.07 1wa1 s PHE 118 Ca 0.06 -0.47 -0.24 0.00 -0.05 0.00 0.00 56.93 56.24 1wa1 s PHE 118 Cb -0.10 -0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 1wa1 s PHE 118 CO 0.00 -0.46 0.76 0.21 -0.05 0.00 0.00 175.22 175.68 1wa1 s LYS 119 N -3.11 4.23 -1.33 1.99 2.20 -1.26 -0.58 119.74 121.88 1wa1 s LYS 119 Ca -0.01 0.86 -0.15 0.00 -0.36 0.00 0.00 55.97 56.31 1wa1 s LYS 119 Cb 0.02 -3.60 0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1wa1 s LYS 119 CO -0.07 -0.36 1.86 0.00 -0.36 0.00 0.00 175.35 176.43 1wa1 n ALA 120 N 5.40 4.46 1.39 3.13 0.00 0.04 -4.73 120.51 130.20 1wa1 n ALA 120 Ca 0.03 -3.98 0.12 0.00 0.00 0.00 0.00 53.44 49.61 1wa1 n ALA 120 Cb 0.49 -3.42 0.46 0.00 0.00 0.00 0.00 19.45 16.98 1wa1 n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wa1 n ASP 121 N 6.66 1.51 -3.96 0.00 5.75 -1.26 -1.17 116.55 124.07 1wa1 n ASP 121 Ca 0.47 -1.59 -0.22 0.00 -0.01 0.00 0.00 54.79 53.44 1wa1 n ASP 121 Cb 0.42 -0.05 -0.16 0.00 -1.03 0.00 0.00 41.12 40.29 1wa1 n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1wa1 s ARG 122 N -1.90 1.26 0.42 0.11 0.52 -1.26 -4.78 118.95 113.32 1wa1 s ARG 122 Ca 0.35 -0.26 -0.22 0.00 -0.52 0.00 0.00 55.73 55.08 1wa1 s ARG 122 Cb 0.19 -1.11 -0.10 0.00 0.52 0.00 0.00 34.95 34.45 1wa1 s ARG 122 CO 0.30 -0.02 0.99 -1.54 0.02 0.00 0.00 175.30 175.04 1wa1 s SER 123 N 0.75 6.84 0.00 0.23 1.04 -1.26 -4.77 113.70 116.54 1wa1 s SER 123 Ca -0.13 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.13 1wa1 s SER 123 Cb -0.15 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1wa1 s SER 123 CO 0.02 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1wa1 n GLY 124 N -0.19 1.75 3.73 7.32 0.00 0.16 -3.17 105.19 114.79 1wa1 n GLY 124 Ca 0.06 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 1wa1 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wa1 s THR 125 N -1.47 5.15 -0.03 2.61 -4.23 0.64 -0.23 115.64 118.09 1wa1 s THR 125 Ca 0.00 1.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.55 1wa1 s THR 125 Cb 0.00 -3.84 -0.00 0.00 1.34 0.00 0.00 72.50 70.00 1wa1 s THR 125 CO 0.00 0.33 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.93 1wa1 s PHE 126 N 0.53 1.23 0.39 3.99 0.40 0.91 -4.34 117.98 121.09 1wa1 s PHE 126 Ca 0.27 -0.32 -0.26 0.00 -0.60 0.00 0.00 56.93 56.03 1wa1 s PHE 126 Cb -0.16 -0.85 -0.09 0.00 0.51 0.00 0.00 43.02 42.44 1wa1 s PHE 126 CO 0.11 -0.11 1.21 0.08 0.70 0.00 0.00 175.22 177.21 1wa1 s VAL 127 N 0.09 2.98 0.12 -0.44 1.01 -1.26 -0.47 120.40 122.43 1wa1 s VAL 127 Ca -0.03 0.86 0.11 0.00 0.00 0.00 0.00 61.98 62.92 1wa1 s VAL 127 Cb -0.09 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1wa1 s VAL 127 CO 0.01 0.11 -0.26 -0.72 0.00 0.00 0.00 175.10 174.23 1wa1 s TYR 128 N -1.34 2.33 0.13 5.22 -0.85 -0.22 -1.17 117.35 121.45 1wa1 s TYR 128 Ca 0.56 -0.37 -0.24 0.00 -0.52 0.00 0.00 57.07 56.49 1wa1 s TYR 128 Cb -0.33 -1.27 0.08 0.00 0.38 0.00 0.00 41.96 40.81 1wa1 s TYR 128 CO 0.43 0.32 0.65 -3.38 -1.52 0.00 0.00 175.55 172.05 1wa1 s HIS 129 N -1.04 -0.51 0.43 -3.49 -3.43 -0.52 -1.41 115.29 105.32 1wa1 s HIS 129 Ca 0.14 0.33 -0.23 0.00 -0.80 0.00 0.00 55.06 54.49 1wa1 s HIS 129 Cb -0.10 0.55 -0.08 0.00 -1.43 0.00 0.00 32.58 31.52 1wa1 s HIS 129 CO 0.06 -0.80 1.13 0.00 -2.00 0.00 0.00 174.74 173.13 1wa1 n ALA 131 N -0.31 0.13 -2.11 0.00 0.00 -1.26 -4.50 120.51 112.46 1wa1 n ALA 131 Ca 0.06 -2.16 -0.41 0.00 0.00 0.00 0.00 53.44 50.93 1wa1 n ALA 131 Cb 0.48 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 1wa1 n ALA 131 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wa1 s PRO 132 N -0.38 4.55 0.12 0.00 0.05 -1.26 -4.88 135.00 133.20 1wa1 s PRO 132 Ca 0.31 1.75 -0.35 0.00 0.05 0.00 0.00 61.00 62.76 1wa1 s PRO 132 Cb 0.26 -3.28 -0.15 0.00 0.05 0.00 0.00 34.50 31.39 1wa1 s PRO 132 CO -0.13 -0.00 1.53 -1.91 0.05 0.00 0.00 177.00 176.55 1wa1 n GLU 133 N 2.60 1.86 0.00 4.56 2.13 -1.26 -1.28 120.64 129.25 1wa1 n GLU 133 Ca 0.04 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.53 1wa1 n GLU 133 Cb 0.46 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.76 1wa1 n GLU 133 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wa1 n GLY 134 N 3.24 2.18 1.14 8.31 0.00 -1.26 -4.82 105.19 113.98 1wa1 n GLY 134 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1wa1 n GLY 134 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wa1 n MET 135 N -2.00 0.55 0.29 1.61 0.00 -0.41 -4.96 117.12 112.20 1wa1 n MET 135 Ca 0.00 -2.40 -0.16 0.00 0.00 0.00 0.00 57.70 55.14 1wa1 n MET 135 Cb 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 33.22 32.56 1wa1 n MET 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1wa1 h VAL 136 N 4.90 0.44 -0.84 3.17 2.07 -1.84 -2.76 116.25 121.38 1wa1 h VAL 136 Ca -0.14 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1wa1 h VAL 136 Cb 1.57 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1wa1 h VAL 136 CO 0.06 0.03 0.55 -0.65 0.02 0.00 0.00 177.57 177.59 1wa1 h PRO 137 N -0.85 0.99 -0.33 1.57 0.11 -1.92 -2.52 132.00 129.05 1wa1 h PRO 137 Ca -0.07 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 1wa1 h PRO 137 Cb 0.60 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1wa1 h PRO 137 CO 0.12 0.65 0.19 2.35 -0.21 0.00 0.00 178.00 181.10 1wa1 h TRP 138 N 1.02 0.44 -0.49 0.65 7.01 -1.92 -0.32 115.95 122.34 1wa1 h TRP 138 Ca 0.34 -0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.24 1wa1 h TRP 138 Cb 0.08 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 1wa1 h TRP 138 CO -0.00 0.33 -0.10 0.45 -2.79 0.00 0.00 178.44 176.32 1wa1 h HIS 139 N 0.42 0.99 0.27 2.65 3.86 -1.20 -1.46 115.15 120.68 1wa1 h HIS 139 Ca 0.12 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1wa1 h HIS 139 Cb 0.03 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1wa1 h HIS 139 CO -0.04 0.95 -0.13 0.28 0.86 0.00 0.00 177.93 179.85 1wa1 h VAL 140 N 0.81 0.77 0.00 2.45 2.07 -1.20 -2.26 116.25 118.89 1wa1 h VAL 140 Ca 0.13 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1wa1 h VAL 140 Cb 0.63 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1wa1 h VAL 140 CO 0.04 0.08 -0.00 -0.37 0.02 0.00 0.00 177.57 177.34 1wa1 h VAL 141 N -0.56 0.01 -0.00 2.57 -1.51 -1.04 -2.10 116.25 113.61 1wa1 h VAL 141 Ca -0.04 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1wa1 h VAL 141 Cb 0.41 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1wa1 h VAL 141 CO 0.06 0.00 -0.03 -1.20 -1.23 0.00 0.00 177.57 175.18 1wa1 n SER 142 N -3.10 0.12 0.00 4.19 7.64 -0.55 -4.74 113.62 117.18 1wa1 n SER 142 Ca -0.00 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1wa1 n SER 142 Cb 0.27 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1wa1 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wa1 n GLY 143 N 1.26 0.27 2.96 0.23 0.00 -0.79 -1.33 105.19 107.78 1wa1 n GLY 143 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1wa1 n GLY 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wa1 n MET 144 N 0.00 3.69 -3.72 1.61 2.81 -0.86 -4.57 117.12 116.07 1wa1 n MET 144 Ca 0.00 -3.69 -0.11 0.00 -1.81 0.00 0.00 57.70 52.09 1wa1 n MET 144 Cb 0.00 -2.89 -0.06 0.00 -0.71 0.00 0.00 33.22 29.56 1wa1 n MET 144 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1wa1 s SER 145 N 0.80 -0.12 0.00 7.83 1.04 -1.26 -1.86 113.70 120.12 1wa1 s SER 145 Ca 0.39 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1wa1 s SER 145 Cb 0.07 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1wa1 s SER 145 CO 0.01 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1wa1 n GLY 146 N 0.13 1.95 3.25 7.32 0.00 -0.50 -0.57 105.19 116.78 1wa1 n GLY 146 Ca -0.17 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1wa1 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wa1 s THR 147 N -2.76 1.82 -0.24 2.61 2.01 -1.26 -1.05 115.64 116.77 1wa1 s THR 147 Ca 0.00 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 1wa1 s THR 147 Cb 0.00 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1wa1 s THR 147 CO 0.00 0.51 0.10 -0.22 -0.69 0.00 0.00 174.62 174.32 1wa1 s LEU 148 N -0.48 3.67 -0.23 4.42 2.96 0.38 -1.60 118.68 127.80 1wa1 s LEU 148 Ca 0.07 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1wa1 s LEU 148 Cb -0.09 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1wa1 s LEU 148 CO -0.00 0.01 0.09 -0.32 -1.32 0.00 0.00 176.35 174.80 1wa1 s MET 149 N 1.38 3.83 -0.40 1.98 -2.45 0.82 -0.06 119.30 124.41 1wa1 s MET 149 Ca 0.06 -0.40 -0.05 0.00 -1.25 0.00 0.00 55.69 54.05 1wa1 s MET 149 Cb -0.15 -3.35 0.09 0.00 1.25 0.00 0.00 34.83 32.68 1wa1 s MET 149 CO 0.05 -0.01 0.20 0.08 1.05 0.00 0.00 175.02 176.39 1wa1 s VAL 150 N 1.17 3.54 0.34 10.11 1.01 0.68 -1.43 120.40 135.81 1wa1 s VAL 150 Ca 0.05 -1.78 -0.24 0.00 0.00 0.00 0.00 61.98 60.00 1wa1 s VAL 150 Cb -0.14 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 1wa1 s VAL 150 CO 0.04 -0.57 0.93 -0.76 0.00 0.00 0.00 175.10 174.74 1wa1 s LEU 151 N 1.24 4.26 0.45 3.92 1.43 -0.18 -0.66 118.68 129.13 1wa1 s LEU 151 Ca 0.05 1.77 -0.25 0.00 -1.03 0.00 0.00 54.13 54.67 1wa1 s LEU 151 Cb -0.23 -4.08 -0.08 0.00 0.03 0.00 0.00 46.19 41.83 1wa1 s LEU 151 CO -0.02 -0.12 1.38 -2.84 0.23 0.00 0.00 176.35 174.98 1wa1 s PRO 152 N -2.27 3.71 0.43 1.29 0.02 -1.26 -0.66 135.00 136.26 1wa1 s PRO 152 Ca 0.52 2.32 0.11 0.00 0.02 0.00 0.00 61.00 63.97 1wa1 s PRO 152 Cb -0.17 -2.64 0.98 0.00 0.02 0.00 0.00 34.50 32.69 1wa1 s PRO 152 CO 0.21 -0.76 2.03 -0.09 -0.33 0.00 0.00 177.00 178.07 1wa1 h ARG 153 N 2.33 0.43 -0.75 5.54 2.43 -1.89 -0.93 114.38 121.54 1wa1 h ARG 153 Ca -0.50 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.52 1wa1 h ARG 153 Cb 1.26 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 1wa1 h ARG 153 CO 0.61 0.28 0.15 -3.47 -1.51 0.00 0.00 179.97 176.04 1wa1 n ASP 154 N -4.48 4.58 -0.34 -3.80 2.03 -1.26 -1.07 116.55 112.21 1wa1 n ASP 154 Ca 0.06 -2.93 0.05 0.00 0.52 0.00 0.00 54.79 52.48 1wa1 n ASP 154 Cb 0.21 -0.69 -0.01 0.00 -0.72 0.00 0.00 41.12 39.90 1wa1 n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wa1 n GLY 155 N 0.13 -1.55 3.77 0.27 0.00 -0.35 -4.64 105.19 102.82 1wa1 n GLY 155 Ca 0.31 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 1wa1 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wa1 s LEU 156 N -3.67 3.79 0.04 0.99 1.43 -1.25 -4.59 118.68 115.43 1wa1 s LEU 156 Ca 0.00 2.23 0.04 0.00 -1.03 0.00 0.00 54.13 55.37 1wa1 s LEU 156 Cb 0.00 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 1wa1 s LEU 156 CO 0.00 -1.20 -0.13 -0.54 0.23 0.00 0.00 176.35 174.71 1wa1 s LYS 157 N -3.17 0.82 0.85 1.70 -0.14 -1.26 -1.40 119.74 117.13 1wa1 s LYS 157 Ca 0.71 -0.74 -0.11 0.00 -1.36 0.00 0.00 55.97 54.48 1wa1 s LYS 157 Cb -0.26 -0.80 0.14 0.00 -1.68 0.00 0.00 37.83 35.24 1wa1 s LYS 157 CO 0.29 0.19 1.18 0.16 -0.76 0.00 0.00 175.35 176.42 1wa1 s ASP 158 N -1.20 3.85 0.58 2.83 -4.77 0.32 -4.65 116.67 113.62 1wa1 s ASP 158 Ca -0.00 0.24 0.28 0.00 -3.30 0.00 0.00 52.55 49.76 1wa1 s ASP 158 Cb -0.08 -0.51 1.71 0.00 -1.09 0.00 0.00 42.92 42.95 1wa1 s ASP 158 CO 0.01 -2.25 2.19 -0.65 0.70 0.00 0.00 175.17 175.18 1wa1 h PRO 159 N -1.15 0.00 -0.31 2.11 0.11 -1.89 -0.56 132.00 130.30 1wa1 h PRO 159 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wa1 h PRO 159 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wa1 h PRO 159 CO 0.46 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.29 1wa1 n GLN 160 N -3.92 2.05 -0.80 1.05 3.00 -1.26 -4.94 117.38 112.57 1wa1 n GLN 160 Ca -0.01 -1.60 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 1wa1 n GLN 160 Cb 0.16 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 28.98 1wa1 n GLN 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wa1 n GLY 161 N 1.27 0.62 3.83 1.08 0.00 -0.22 -5.05 105.19 106.73 1wa1 n GLY 161 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1wa1 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa1 s LYS 162 N -0.20 3.92 0.28 1.61 1.02 -1.26 -4.72 119.74 120.40 1wa1 s LYS 162 Ca 0.00 1.05 -0.29 0.00 0.02 0.00 0.00 55.97 56.75 1wa1 s LYS 162 Cb 0.00 -2.13 -0.10 0.00 -0.52 0.00 0.00 37.83 35.08 1wa1 s LYS 162 CO 0.00 -0.30 1.28 -1.25 -0.92 0.00 0.00 175.35 174.17 1wa1 s PRO 163 N -3.82 4.41 0.17 -1.68 0.04 -1.26 -0.52 135.00 132.33 1wa1 s PRO 163 Ca 0.61 2.11 0.11 0.00 0.04 0.00 0.00 61.00 63.87 1wa1 s PRO 163 Cb -0.11 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1wa1 s PRO 163 CO 0.27 -0.15 -0.25 -0.51 0.04 0.00 0.00 177.00 176.40 1wa1 s LEU 164 N -1.20 2.40 0.13 -3.56 1.43 -0.50 -4.77 118.68 112.61 1wa1 s LEU 164 Ca 0.51 -0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 1wa1 s LEU 164 Cb -0.38 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1wa1 s LEU 164 CO 0.46 0.13 0.27 -1.38 0.23 0.00 0.00 176.35 176.07 1wa1 s HIS 165 N -1.49 0.20 0.12 0.29 -3.43 -1.26 -3.92 115.29 105.79 1wa1 s HIS 165 Ca 0.18 -0.59 0.10 0.00 -0.80 0.00 0.00 55.06 53.96 1wa1 s HIS 165 Cb -0.08 0.00 -0.04 0.00 -1.43 0.00 0.00 32.58 31.03 1wa1 s HIS 165 CO 0.08 -0.66 -0.26 1.52 -2.00 0.00 0.00 174.74 173.43 1wa1 s TYR 166 N -3.90 2.21 -0.14 0.38 1.13 -1.26 -4.90 117.35 110.88 1wa1 s TYR 166 Ca 0.10 -0.39 0.19 0.00 -1.41 0.00 0.00 57.07 55.56 1wa1 s TYR 166 Cb 0.04 -1.21 -0.17 0.00 -1.10 0.00 0.00 41.96 39.52 1wa1 s TYR 166 CO -0.06 0.30 0.69 -0.25 -2.51 0.00 0.00 175.55 173.72 1wa1 n ASP 167 N 1.02 0.57 -3.74 -0.18 8.00 0.75 -4.95 116.55 118.02 1wa1 n ASP 167 Ca -0.18 0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.44 1wa1 n ASP 167 Cb 0.53 0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 42.24 1wa1 n ASP 167 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wa1 s ARG 168 N -3.06 0.77 -0.03 -1.24 1.70 -1.04 -5.00 118.95 111.05 1wa1 s ARG 168 Ca -0.04 -0.35 0.06 0.00 -0.47 0.00 0.00 55.73 54.93 1wa1 s ARG 168 Cb 0.09 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1wa1 s ARG 168 CO 0.83 -0.24 -0.23 0.00 -1.08 0.00 0.00 175.30 174.59 1wa1 s ALA 169 N -2.02 1.92 0.11 7.88 0.00 -1.26 -1.14 121.76 127.24 1wa1 s ALA 169 Ca -0.09 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.00 1wa1 s ALA 169 Cb -0.03 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1wa1 s ALA 169 CO 0.00 0.42 -0.22 0.71 0.00 0.00 0.00 175.76 176.68 1wa1 s TYR 170 N -0.33 1.88 -0.11 0.00 2.02 0.47 -4.07 117.35 117.19 1wa1 s TYR 170 Ca 0.03 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 1wa1 s TYR 170 Cb -0.11 -1.02 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1wa1 s TYR 170 CO 0.01 0.24 -0.21 -0.08 -1.57 0.00 0.00 175.55 173.94 1wa1 s THR 171 N -1.19 1.89 -0.16 -0.71 -1.32 0.05 -1.44 115.64 112.76 1wa1 s THR 171 Ca 0.08 -0.90 0.01 0.00 -1.21 0.00 0.00 61.69 59.67 1wa1 s THR 171 Cb -0.10 -1.67 0.02 0.00 -1.51 0.00 0.00 72.50 69.25 1wa1 s THR 171 CO 0.05 0.52 -0.17 -0.63 -2.21 0.00 0.00 174.62 172.18 1wa1 s ILE 172 N 0.66 1.79 -0.16 5.08 1.09 0.49 -4.41 121.20 125.74 1wa1 s ILE 172 Ca -0.12 -0.77 -0.06 0.00 -1.10 0.00 0.00 60.65 58.60 1wa1 s ILE 172 Cb -0.16 -1.64 -0.04 0.00 -1.06 0.00 0.00 42.46 39.56 1wa1 s ILE 172 CO 0.03 0.50 0.04 -0.83 -0.10 0.00 0.00 174.94 174.57 1wa1 s GLY 173 N 1.38 1.87 -0.17 6.18 0.00 -1.26 -1.02 107.32 114.30 1wa1 s GLY 173 Ca 0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.97 1wa1 s GLY 173 CO -0.11 -0.07 -0.04 1.85 0.00 0.00 0.00 173.10 174.72 1wa1 s GLU 174 N 0.13 3.59 -0.21 2.90 2.12 -0.42 -0.42 118.70 126.40 1wa1 s GLU 174 Ca 0.03 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.82 1wa1 s GLU 174 Cb -0.13 -2.92 0.04 0.00 0.26 0.00 0.00 34.13 31.39 1wa1 s GLU 174 CO 0.01 0.15 -0.12 -0.06 -0.54 0.00 0.00 175.26 174.69 1wa1 s PHE 175 N 0.60 2.67 -0.28 5.30 0.08 0.63 -4.52 117.98 122.46 1wa1 s PHE 175 Ca -0.03 -1.76 -0.28 0.00 0.12 0.00 0.00 56.93 54.98 1wa1 s PHE 175 Cb -0.14 -1.76 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 1wa1 s PHE 175 CO 0.03 -0.79 1.02 0.16 -0.10 0.00 0.00 175.22 175.54 1wa1 s ASP 176 N 1.31 6.96 0.11 1.36 -4.77 -1.26 -1.18 116.67 119.20 1wa1 s ASP 176 Ca -0.02 1.14 0.05 0.00 -3.30 0.00 0.00 52.55 50.42 1wa1 s ASP 176 Cb -0.16 -2.52 -0.04 0.00 -1.09 0.00 0.00 42.92 39.10 1wa1 s ASP 176 CO -0.09 -0.76 0.00 -0.76 0.70 0.00 0.00 175.17 174.26 1wa1 s LEU 177 N 3.38 3.44 -0.53 2.11 1.43 0.41 -4.84 118.68 124.09 1wa1 s LEU 177 Ca 0.43 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 1wa1 s LEU 177 Cb -0.14 -2.16 0.25 0.00 0.03 0.00 0.00 46.19 44.18 1wa1 s LEU 177 CO 0.11 0.16 0.65 -1.22 0.23 0.00 0.00 176.35 176.28 1wa1 n TYR 178 N 0.43 1.88 -2.88 0.29 4.01 -1.26 -0.49 117.16 119.14 1wa1 n TYR 178 Ca -0.11 -3.89 -0.42 0.00 -0.16 0.00 0.00 57.90 53.32 1wa1 n TYR 178 Cb 0.52 -0.47 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 1wa1 n TYR 178 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wa1 s ILE 179 N -1.91 4.85 0.73 -0.72 -1.09 -1.26 -4.72 121.20 117.08 1wa1 s ILE 179 Ca 0.38 1.62 -0.13 0.00 -2.23 0.00 0.00 60.65 60.29 1wa1 s ILE 179 Cb 0.16 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1wa1 s ILE 179 CO -0.05 -0.02 1.12 -2.84 -1.23 0.00 0.00 174.94 171.91 1wa1 s PRO 180 N 2.47 2.39 0.14 2.79 0.02 -1.26 -4.86 135.00 136.69 1wa1 s PRO 180 Ca 0.37 1.36 0.10 0.00 0.02 0.00 0.00 61.00 62.86 1wa1 s PRO 180 Cb -0.16 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 1wa1 s PRO 180 CO 0.10 -1.56 -0.24 0.15 -0.33 0.00 0.00 177.00 175.12 1wa1 s LYS 181 N -4.41 1.35 0.45 5.54 1.02 -1.26 -0.72 119.74 121.71 1wa1 s LYS 181 Ca 0.66 -1.35 0.02 0.00 0.02 0.00 0.00 55.97 55.31 1wa1 s LYS 181 Cb -0.20 -1.72 0.09 0.00 -0.52 0.00 0.00 37.83 35.48 1wa1 s LYS 181 CO 0.48 0.39 0.61 0.41 -0.92 0.00 0.00 175.35 176.33 1wa1 n GLY 182 N 0.76 1.03 0.30 -3.33 0.00 -0.68 -4.87 105.19 98.40 1wa1 n GLY 182 Ca -0.17 -2.05 0.16 0.00 0.00 0.00 0.00 46.02 43.96 1wa1 n GLY 182 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wa1 h PRO 183 N 0.00 0.00 0.00 1.61 0.11 -2.02 -1.32 132.00 130.38 1wa1 h PRO 183 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1wa1 h PRO 183 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1wa1 h PRO 183 CO 0.24 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.63 1wa1 n ASP 184 N -3.73 0.00 0.00 -2.05 5.75 -1.26 -4.91 116.55 110.35 1wa1 n ASP 184 Ca -0.03 -0.61 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 1wa1 n ASP 184 Cb 0.09 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1wa1 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wa1 n GLY 185 N 1.06 0.66 3.88 6.12 0.00 -0.50 -5.04 105.19 111.39 1wa1 n GLY 185 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1wa1 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa1 s LYS 186 N -0.02 3.71 0.41 1.61 1.02 -1.26 -4.86 119.74 120.35 1wa1 s LYS 186 Ca 0.00 0.10 -0.26 0.00 0.02 0.00 0.00 55.97 55.83 1wa1 s LYS 186 Cb 0.00 -2.78 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 1wa1 s LYS 186 CO 0.00 0.41 1.30 0.71 -0.92 0.00 0.00 175.35 176.85 1wa1 s TYR 187 N -1.70 2.82 0.33 3.18 2.02 -1.26 -1.68 117.35 121.06 1wa1 s TYR 187 Ca 0.43 1.41 -0.22 0.00 -0.37 0.00 0.00 57.07 58.32 1wa1 s TYR 187 Cb -0.12 -3.67 -0.10 0.00 -0.40 0.00 0.00 41.96 37.68 1wa1 s TYR 187 CO 0.22 -2.08 0.88 0.15 -1.57 0.00 0.00 175.55 173.15 1wa1 s LYS 188 N -2.24 4.37 -0.18 -0.62 1.02 0.11 -4.83 119.74 117.36 1wa1 s LYS 188 Ca 0.57 1.11 -0.00 0.00 0.02 0.00 0.00 55.97 57.67 1wa1 s LYS 188 Cb -0.38 -2.63 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 1wa1 s LYS 188 CO 0.49 0.21 -0.15 0.34 -0.92 0.00 0.00 175.35 175.32 1wa1 s ASP 189 N -1.83 3.56 -0.08 2.83 -1.08 -1.26 -4.74 116.67 114.06 1wa1 s ASP 189 Ca 0.52 -0.53 -0.02 0.00 -0.52 0.00 0.00 52.55 52.00 1wa1 s ASP 189 Cb -0.15 -1.56 -0.03 0.00 -1.46 0.00 0.00 42.92 39.71 1wa1 s ASP 189 CO 0.20 0.03 0.00 -0.31 0.52 0.00 0.00 175.17 175.61 1wa1 s TYR 190 N 1.16 3.16 0.24 -5.34 2.02 -1.26 -5.02 117.35 112.32 1wa1 s TYR 190 Ca 0.01 0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.95 1wa1 s TYR 190 Cb -0.14 -1.78 0.27 0.00 -0.40 0.00 0.00 41.96 39.91 1wa1 s TYR 190 CO -0.06 0.47 1.57 0.00 -1.57 0.00 0.00 175.55 175.96 1wa1 h ALA 191 N 5.11 0.88 -2.26 3.71 0.00 -2.00 -3.46 119.26 121.24 1wa1 h ALA 191 Ca -0.51 -0.54 -0.28 0.00 0.00 0.00 0.00 54.91 53.59 1wa1 h ALA 191 Cb 1.19 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1wa1 h ALA 191 CO 0.54 0.72 -0.68 0.95 0.00 0.00 0.00 179.25 180.79 1wa1 s THR 192 N -3.77 0.76 0.14 0.00 -4.23 -1.26 -5.06 115.64 102.22 1wa1 s THR 192 Ca -0.04 -1.98 -0.18 0.00 -1.18 0.00 0.00 61.69 58.32 1wa1 s THR 192 Cb 0.12 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 1wa1 s THR 192 CO 0.79 -0.62 1.78 0.25 -0.54 0.00 0.00 174.62 176.28 1wa1 h LEU 193 N 2.78 0.28 -1.07 4.79 5.85 -1.94 -2.85 115.31 123.16 1wa1 h LEU 193 Ca -0.36 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.43 1wa1 h LEU 193 Cb 1.19 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 1wa1 h LEU 193 CO 0.63 0.21 0.63 0.00 -0.34 0.00 0.00 178.44 179.57 1wa1 h ALA 194 N 1.14 1.45 0.00 1.25 0.00 -1.99 -1.72 119.26 119.39 1wa1 h ALA 194 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wa1 h ALA 194 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1wa1 h ALA 194 CO -0.06 0.41 0.00 0.93 0.00 0.00 0.00 179.25 180.53 1wa1 h GLU 195 N 1.12 0.00 0.00 0.00 5.08 -1.92 -2.88 114.58 115.98 1wa1 h GLU 195 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1wa1 h GLU 195 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1wa1 h GLU 195 CO -0.16 0.00 -0.10 0.66 -1.00 0.00 0.00 179.01 178.41 1wa1 h SER 196 N 0.00 0.00 0.88 1.42 4.64 -1.29 -3.42 113.55 115.78 1wa1 h SER 196 Ca 0.00 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1wa1 h SER 196 Cb 0.37 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1wa1 h SER 196 CO 0.00 0.01 -0.42 0.22 -0.87 0.00 0.00 176.83 175.77 1wa1 h TYR 197 N 0.00 -1.10 -0.59 4.77 3.20 -1.58 -2.19 116.97 119.48 1wa1 h TYR 197 Ca 0.00 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.92 1wa1 h TYR 197 Cb 0.77 0.36 -0.06 0.00 1.54 0.00 0.00 36.73 39.34 1wa1 h TYR 197 CO 0.00 -0.68 0.26 0.78 -1.64 0.00 0.00 178.16 176.88 1wa1 h GLY 198 N -1.29 0.84 1.44 1.82 0.00 -1.81 -1.14 103.07 102.93 1wa1 h GLY 198 Ca -0.12 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 1wa1 h GLY 198 CO 0.20 0.04 -0.43 -0.55 0.00 0.00 0.00 176.54 175.80 1wa1 h ASP 199 N 0.48 0.65 -0.48 0.19 3.32 -1.84 -2.78 116.42 115.96 1wa1 h ASP 199 Ca 0.28 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1wa1 h ASP 199 Cb 0.28 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1wa1 h ASP 199 CO -0.24 1.00 -0.07 0.74 -1.72 0.00 0.00 179.24 178.94 1wa1 h THR 200 N 0.49 1.27 -1.00 0.35 2.02 -0.82 -2.65 112.91 112.56 1wa1 h THR 200 Ca 0.04 -1.18 0.04 0.00 0.77 0.00 0.00 66.41 66.07 1wa1 h THR 200 Cb 0.96 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 68.37 1wa1 h THR 200 CO 0.09 0.41 0.65 0.58 0.37 0.00 0.00 175.52 177.62 1wa1 h VAL 201 N 0.74 1.16 -0.73 3.16 2.07 -1.08 0.13 116.25 121.70 1wa1 h VAL 201 Ca 0.13 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1wa1 h VAL 201 Cb 0.61 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1wa1 h VAL 201 CO 0.04 0.23 0.35 1.56 0.02 0.00 0.00 177.57 179.76 1wa1 h GLN 202 N 1.25 1.05 -0.32 1.57 1.08 -1.23 -1.66 115.11 116.86 1wa1 h GLN 202 Ca 0.40 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 57.38 1wa1 h GLN 202 Cb 0.03 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 1wa1 h GLN 202 CO -0.13 0.83 -0.06 0.28 -0.95 0.00 0.00 178.83 178.79 1wa1 h VAL 203 N 1.02 1.28 -0.91 -0.54 2.07 -1.00 -3.02 116.25 115.14 1wa1 h VAL 203 Ca 0.25 -1.09 0.16 0.00 0.82 0.00 0.00 66.70 66.84 1wa1 h VAL 203 Cb 0.13 1.34 -0.10 0.00 -1.52 0.00 0.00 31.29 31.13 1wa1 h VAL 203 CO -0.03 0.35 0.51 0.24 0.02 0.00 0.00 177.57 178.66 1wa1 h MET 204 N 0.38 0.68 0.00 1.57 2.86 -0.39 -1.78 114.93 118.25 1wa1 h MET 204 Ca 0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1wa1 h MET 204 Cb 0.54 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1wa1 h MET 204 CO 0.03 0.45 0.00 0.00 1.06 0.00 0.00 176.91 178.45 1wa1 h ARG 205 N 0.70 0.00 0.00 1.72 3.08 -1.18 -0.13 114.38 118.57 1wa1 h ARG 205 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1wa1 h ARG 205 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1wa1 h ARG 205 CO -0.36 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.33 1wa1 h THR 206 N 0.00 0.00 -0.10 2.04 1.35 -1.35 -3.47 112.91 111.39 1wa1 h THR 206 Ca 0.00 -0.60 -0.04 0.00 -0.55 0.00 0.00 66.41 65.22 1wa1 h THR 206 Cb 0.46 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.43 1wa1 h THR 206 CO 0.00 0.00 -0.04 0.18 -0.25 0.00 0.00 175.52 175.41 1wa1 n LEU 207 N -2.90 0.33 -4.27 3.87 4.77 -0.06 -4.97 117.00 113.77 1wa1 n LEU 207 Ca 0.02 0.05 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 1wa1 n LEU 207 Cb 0.37 -1.68 -0.12 0.00 -2.33 0.00 0.00 43.42 39.65 1wa1 n LEU 207 CO 0.28 -0.58 -0.22 -0.89 -1.33 0.00 0.00 177.39 174.65 1wa1 s THR 208 N -1.60 3.88 0.48 -5.08 2.01 -1.26 -5.09 115.64 108.98 1wa1 s THR 208 Ca 0.00 -1.21 -0.23 0.00 0.31 0.00 0.00 61.69 60.57 1wa1 s THR 208 Cb 0.00 -3.25 -0.07 0.00 0.01 0.00 0.00 72.50 69.19 1wa1 s THR 208 CO 0.00 -0.26 1.22 -2.84 -0.69 0.00 0.00 174.62 172.04 1wa1 s PRO 209 N 1.40 3.59 0.13 4.92 0.02 -1.26 -4.89 135.00 138.91 1wa1 s PRO 209 Ca -0.00 1.90 0.04 0.00 0.02 0.00 0.00 61.00 62.96 1wa1 s PRO 209 Cb -0.20 -2.37 -0.17 0.00 0.02 0.00 0.00 34.50 31.78 1wa1 s PRO 209 CO 0.03 -0.72 1.28 0.66 -0.33 0.00 0.00 177.00 177.92 1wa1 h SER 210 N 1.90 0.11 -4.88 2.53 4.64 -1.12 -3.47 113.55 113.27 1wa1 h SER 210 Ca -0.50 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 60.56 1wa1 h SER 210 Cb 1.26 -0.04 -0.21 0.00 -0.31 0.00 0.00 62.40 63.10 1wa1 h SER 210 CO 0.59 1.05 -0.46 -1.00 -0.87 0.00 0.00 176.83 176.14 1wa1 s HIS 211 N -2.81 -0.01 -0.15 4.77 3.76 -1.20 -4.93 115.29 114.72 1wa1 s HIS 211 Ca -0.01 -0.03 -0.03 0.00 -0.15 0.00 0.00 55.06 54.85 1wa1 s HIS 211 Cb 0.10 -0.02 0.05 0.00 1.11 0.00 0.00 32.58 33.82 1wa1 s HIS 211 CO 0.83 -0.28 0.04 0.42 -0.85 0.00 0.00 174.74 174.89 1wa1 s ILE 212 N -1.25 0.36 0.08 0.60 1.01 -0.26 -0.44 121.20 121.30 1wa1 s ILE 212 Ca -0.13 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.31 1wa1 s ILE 212 Cb -0.07 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1wa1 s ILE 212 CO 0.02 -0.09 -0.20 0.68 0.00 0.00 0.00 174.94 175.35 1wa1 s VAL 213 N 1.95 1.66 -0.03 2.92 -7.23 -0.32 -0.83 120.40 118.52 1wa1 s VAL 213 Ca 0.01 -1.43 -0.23 0.00 -1.81 0.00 0.00 61.98 58.52 1wa1 s VAL 213 Cb -0.15 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1wa1 s VAL 213 CO -0.07 0.00 0.69 -0.36 -0.31 0.00 0.00 175.10 175.05 1wa1 s PHE 214 N -1.07 3.64 -1.46 2.82 0.08 -1.26 -0.27 117.98 120.47 1wa1 s PHE 214 Ca 0.06 1.29 -0.10 0.00 0.12 0.00 0.00 56.93 58.30 1wa1 s PHE 214 Cb -0.10 -2.77 0.06 0.00 -0.57 0.00 0.00 43.02 39.65 1wa1 s PHE 214 CO 0.03 0.19 0.78 0.09 -0.10 0.00 0.00 175.22 176.21 1wa1 n ASN 215 N 3.33 -4.95 0.00 1.36 4.13 0.44 -2.92 115.26 116.65 1wa1 n ASN 215 Ca -0.03 -0.54 0.00 0.00 1.68 0.00 0.00 54.58 55.69 1wa1 n ASN 215 Cb 0.51 -3.99 0.00 0.00 -1.54 0.00 0.00 39.78 34.76 1wa1 n ASN 215 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wa1 n GLY 216 N -1.54 1.04 3.55 7.41 0.00 -1.22 -4.72 105.19 109.72 1wa1 n GLY 216 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1wa1 n GLY 216 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wa1 s LYS 217 N -0.56 0.86 0.12 1.61 2.20 -1.15 -4.62 119.74 118.21 1wa1 s LYS 217 Ca 0.00 0.29 -0.34 0.00 -0.36 0.00 0.00 55.97 55.57 1wa1 s LYS 217 Cb 0.00 0.41 -0.13 0.00 -1.51 0.00 0.00 37.83 36.59 1wa1 s LYS 217 CO 0.00 -0.25 1.64 0.28 -0.36 0.00 0.00 175.35 176.66 1wa1 n VAL 218 N 1.05 0.10 -0.99 4.02 0.31 -0.27 -1.89 118.33 120.67 1wa1 n VAL 218 Ca -0.15 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1wa1 n VAL 218 Cb 0.57 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1wa1 n VAL 218 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wa1 n GLY 219 N 3.62 0.59 0.39 2.92 0.00 -1.26 -4.85 105.19 106.60 1wa1 n GLY 219 Ca 0.18 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.41 1wa1 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa1 h ALA 220 N 0.00 2.22 -0.12 4.61 0.00 -1.59 -1.63 119.26 122.75 1wa1 h ALA 220 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1wa1 h ALA 220 Cb 0.05 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.73 1wa1 h ALA 220 CO 0.00 -0.67 -0.66 1.28 0.00 0.00 0.00 179.25 179.20 1wa1 n LEU 221 N -3.87 2.68 -4.50 0.00 4.77 -1.26 -4.77 117.00 110.04 1wa1 n LEU 221 Ca 0.08 -3.67 -0.25 0.00 -0.03 0.00 0.00 56.01 52.15 1wa1 n LEU 221 Cb 0.63 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 1wa1 n LEU 221 CO 0.30 1.34 -0.44 0.42 -1.33 0.00 0.00 177.39 177.68 1wa1 s THR 222 N -2.89 2.42 0.00 -5.08 -4.23 -0.61 -0.66 115.64 104.58 1wa1 s THR 222 Ca 0.39 -2.31 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1wa1 s THR 222 Cb 0.38 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1wa1 s THR 222 CO -0.07 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1wa1 n GLY 223 N -0.70 3.99 0.29 3.99 0.00 -1.26 -1.49 105.19 110.01 1wa1 n GLY 223 Ca -0.05 0.20 0.18 0.00 0.00 0.00 0.00 46.02 46.34 1wa1 n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa1 h ALA 224 N -0.93 1.06 -0.37 4.61 0.00 -1.96 -2.23 119.26 119.44 1wa1 h ALA 224 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wa1 h ALA 224 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wa1 h ALA 224 CO 0.00 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.38 1wa1 n ASN 225 N -3.21 3.06 -4.68 0.00 3.02 -0.55 -4.98 115.26 107.92 1wa1 n ASN 225 Ca -0.01 -1.94 -0.38 0.00 -0.03 0.00 0.00 54.58 52.22 1wa1 n ASN 225 Cb 0.22 -0.24 0.05 0.00 -0.61 0.00 0.00 39.78 39.20 1wa1 n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wa1 n ALA 226 N 1.22 0.80 -1.19 5.41 0.00 -0.84 -4.16 120.51 121.76 1wa1 n ALA 226 Ca 0.19 0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.37 1wa1 n ALA 226 Cb 0.54 -2.23 0.10 0.00 0.00 0.00 0.00 19.45 17.86 1wa1 n ALA 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wa1 s LEU 227 N -2.78 3.08 0.09 0.00 1.43 -0.51 -4.84 118.68 115.14 1wa1 s LEU 227 Ca 0.75 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 1wa1 s LEU 227 Cb -0.42 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.22 1wa1 s LEU 227 CO 0.47 -2.21 -0.11 0.42 0.23 0.00 0.00 176.35 175.15 1wa1 s THR 228 N -2.68 1.00 0.37 5.49 -4.23 -1.26 -0.44 115.64 113.89 1wa1 s THR 228 Ca 0.64 -1.53 -0.16 0.00 -1.18 0.00 0.00 61.69 59.46 1wa1 s THR 228 Cb -0.20 -1.26 0.06 0.00 1.34 0.00 0.00 72.50 72.45 1wa1 s THR 228 CO 0.53 -0.45 0.83 0.00 -0.54 0.00 0.00 174.62 174.99 1wa1 n ALA 229 N 0.79 -1.93 -2.50 3.99 0.00 -0.83 -4.92 120.51 115.11 1wa1 n ALA 229 Ca -0.18 -1.24 -0.13 0.00 0.00 0.00 0.00 53.44 51.89 1wa1 n ALA 229 Cb 0.57 0.95 -0.11 0.00 0.00 0.00 0.00 19.45 20.86 1wa1 n ALA 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1wa1 s LYS 230 N -2.08 0.78 0.09 0.00 -2.85 -1.26 -1.33 119.74 113.08 1wa1 s LYS 230 Ca 0.17 -1.11 -0.36 0.00 -1.00 0.00 0.00 55.97 53.67 1wa1 s LYS 230 Cb -0.05 -0.43 -0.17 0.00 -2.06 0.00 0.00 37.83 35.13 1wa1 s LYS 230 CO 0.11 0.06 1.31 0.28 0.10 0.00 0.00 175.35 177.20 1wa1 n VAL 231 N 0.64 0.10 0.00 1.79 0.31 0.34 -1.35 118.33 120.15 1wa1 n VAL 231 Ca -0.17 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1wa1 n VAL 231 Cb 0.58 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1wa1 n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wa1 n GLY 232 N 2.41 1.41 3.79 2.92 0.00 0.04 -4.98 105.19 110.78 1wa1 n GLY 232 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1wa1 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wa1 s GLU 233 N -0.64 4.37 -0.25 1.61 2.12 -0.46 -4.82 118.70 120.64 1wa1 s GLU 233 Ca 0.00 0.92 -0.11 0.00 0.36 0.00 0.00 54.97 56.15 1wa1 s GLU 233 Cb 0.00 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 1wa1 s GLU 233 CO 0.00 0.57 0.17 0.99 -0.54 0.00 0.00 175.26 176.45 1wa1 s THR 234 N -1.00 5.35 -0.01 -1.70 2.01 -1.26 -1.87 115.64 117.15 1wa1 s THR 234 Ca 0.32 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.52 1wa1 s THR 234 Cb -0.21 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1wa1 s THR 234 CO 0.22 0.32 0.01 0.68 -0.69 0.00 0.00 174.62 175.16 1wa1 s VAL 235 N 1.21 4.24 -0.24 3.82 -7.23 0.03 -0.18 120.40 122.06 1wa1 s VAL 235 Ca 0.08 -0.52 -0.09 0.00 -1.81 0.00 0.00 61.98 59.64 1wa1 s VAL 235 Cb -0.14 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 1wa1 s VAL 235 CO 0.06 0.41 0.11 -0.22 -0.31 0.00 0.00 175.10 175.15 1wa1 s LEU 236 N -1.47 3.74 -0.38 1.32 2.96 -0.30 -1.49 118.68 123.06 1wa1 s LEU 236 Ca 0.19 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.96 1wa1 s LEU 236 Cb -0.12 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.63 1wa1 s LEU 236 CO 0.09 0.02 0.18 -0.76 -1.32 0.00 0.00 176.35 174.56 1wa1 s LEU 237 N 1.31 4.72 -0.14 -0.68 1.43 -0.17 -0.40 118.68 124.75 1wa1 s LEU 237 Ca 0.06 -1.30 -0.22 0.00 -1.03 0.00 0.00 54.13 51.64 1wa1 s LEU 237 Cb -0.15 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1wa1 s LEU 237 CO 0.05 -0.42 0.66 -0.63 0.23 0.00 0.00 176.35 176.24 1wa1 s ILE 238 N 1.42 5.03 -0.13 -0.59 1.01 -0.52 -1.55 121.20 125.87 1wa1 s ILE 238 Ca 0.01 1.31 -0.00 0.00 0.00 0.00 0.00 60.65 61.96 1wa1 s ILE 238 Cb -0.21 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.30 1wa1 s ILE 238 CO 0.03 0.17 -0.07 -2.28 0.00 0.00 0.00 174.94 172.79 1wa1 s HIS 239 N 1.41 1.54 0.02 3.97 2.46 -0.50 -0.38 115.29 123.81 1wa1 s HIS 239 Ca 0.33 -0.84 0.05 0.00 0.47 0.00 0.00 55.06 55.07 1wa1 s HIS 239 Cb -0.16 -1.25 -0.03 0.00 -0.13 0.00 0.00 32.58 31.00 1wa1 s HIS 239 CO 0.13 -0.54 -0.14 -1.54 -2.47 0.00 0.00 174.74 170.18 1wa1 s SER 240 N 1.69 4.12 -0.24 9.88 1.04 -0.19 -1.36 113.70 128.65 1wa1 s SER 240 Ca 0.04 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 1wa1 s SER 240 Cb -0.13 -0.80 0.11 0.00 0.10 0.00 0.00 66.02 65.30 1wa1 s SER 240 CO -0.08 0.27 0.24 -1.58 0.98 0.00 0.00 173.24 173.07 1wa1 s GLN 241 N -1.41 0.23 0.00 4.02 -0.44 -0.78 -1.30 119.66 119.99 1wa1 s GLN 241 Ca 0.16 0.05 0.28 0.00 -2.50 0.00 0.00 55.36 53.35 1wa1 s GLN 241 Cb -0.11 -1.04 1.12 0.00 -1.64 0.00 0.00 33.01 31.35 1wa1 s GLN 241 CO 0.06 -0.79 1.83 0.00 0.50 0.00 0.00 175.29 176.89 1wa1 n ALA 242 N 5.31 2.64 0.00 1.58 0.00 -1.26 -0.20 120.51 128.59 1wa1 n ALA 242 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1wa1 n ALA 242 Cb 0.48 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1wa1 n ALA 242 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wa1 n ASN 243 N -1.41 1.52 -3.79 0.00 5.15 -1.26 -3.25 115.26 112.22 1wa1 n ASN 243 Ca 0.08 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.94 1wa1 n ASN 243 Cb 0.32 0.24 -0.10 0.00 -0.53 0.00 0.00 39.78 39.72 1wa1 n ASN 243 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1wa1 s ARG 244 N -0.90 0.53 0.59 1.20 3.52 -1.26 -4.70 118.95 117.93 1wa1 s ARG 244 Ca 0.00 -0.05 -0.19 0.00 -0.13 0.00 0.00 55.73 55.36 1wa1 s ARG 244 Cb 0.00 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 1wa1 s ARG 244 CO 0.00 -0.13 1.24 -0.51 -0.81 0.00 0.00 175.30 175.09 1wa1 s ASP 245 N -0.89 5.15 0.20 -2.12 1.01 -1.26 -3.73 116.67 115.03 1wa1 s ASP 245 Ca -0.10 2.47 -0.05 0.00 0.71 0.00 0.00 52.55 55.58 1wa1 s ASP 245 Cb -0.05 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1wa1 s ASP 245 CO 0.03 -1.62 0.22 0.28 0.21 0.00 0.00 175.17 174.28 1wa1 s THR 246 N -1.52 0.02 -0.43 -1.27 -1.32 -0.59 -4.88 115.64 105.65 1wa1 s THR 246 Ca 0.77 -1.78 0.03 0.00 -1.21 0.00 0.00 61.69 59.50 1wa1 s THR 246 Cb -0.33 -2.28 0.16 0.00 -1.51 0.00 0.00 72.50 68.54 1wa1 s THR 246 CO 0.36 -0.11 0.32 0.00 -2.21 0.00 0.00 174.62 172.98 1wa1 s ARG 247 N -4.09 0.99 0.56 7.08 1.70 -1.26 -1.10 118.95 122.84 1wa1 s ARG 247 Ca 0.30 -2.06 -0.20 0.00 -0.47 0.00 0.00 55.73 53.30 1wa1 s ARG 247 Cb 0.05 -1.62 -0.04 0.00 -0.57 0.00 0.00 34.95 32.76 1wa1 s ARG 247 CO 0.08 -1.33 1.23 -2.14 -1.08 0.00 0.00 175.30 172.07 1wa1 s PRO 248 N 0.14 3.14 -0.18 3.89 0.02 -1.11 -0.95 135.00 139.95 1wa1 s PRO 248 Ca 0.28 1.91 -0.13 0.00 0.02 0.00 0.00 61.00 63.08 1wa1 s PRO 248 Cb -0.04 -2.08 0.05 0.00 0.02 0.00 0.00 34.50 32.45 1wa1 s PRO 248 CO -0.14 -1.10 0.45 -1.58 -0.33 0.00 0.00 177.00 174.30 1wa1 s HIS 249 N -1.52 -0.58 -0.38 6.54 2.46 -0.23 -1.61 115.29 119.98 1wa1 s HIS 249 Ca 0.74 1.31 -0.12 0.00 0.47 0.00 0.00 55.06 57.45 1wa1 s HIS 249 Cb -0.32 0.24 0.02 0.00 -0.13 0.00 0.00 32.58 32.39 1wa1 s HIS 249 CO 0.36 -0.30 0.24 -1.17 -2.47 0.00 0.00 174.74 171.40 1wa1 s LEU 250 N 0.84 4.81 -0.10 8.88 2.96 -1.26 -1.27 118.68 133.53 1wa1 s LEU 250 Ca -0.05 -0.89 -0.30 0.00 -0.22 0.00 0.00 54.13 52.68 1wa1 s LEU 250 Cb -0.06 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1wa1 s LEU 250 CO -0.07 -0.39 1.28 -0.63 -1.32 0.00 0.00 176.35 175.23 1wa1 s ILE 251 N 1.62 4.17 0.00 6.68 1.01 0.41 -1.37 121.20 133.72 1wa1 s ILE 251 Ca 0.04 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1wa1 s ILE 251 Cb -0.19 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1wa1 s ILE 251 CO 0.08 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1wa1 n GLY 252 N 3.56 0.97 0.00 6.18 0.00 -1.26 -3.85 105.19 110.79 1wa1 n GLY 252 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1wa1 n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa1 n GLY 253 N -2.00 5.90 3.54 -0.02 0.00 -0.47 -5.02 105.19 107.11 1wa1 n GLY 253 Ca 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 1wa1 n GLY 253 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wa1 s HIS 254 N 0.04 0.51 -0.56 1.61 3.76 -1.26 -4.73 115.29 114.66 1wa1 s HIS 254 Ca 0.00 -0.85 -0.19 0.00 -0.15 0.00 0.00 55.06 53.87 1wa1 s HIS 254 Cb 0.00 0.08 0.08 0.00 1.11 0.00 0.00 32.58 33.86 1wa1 s HIS 254 CO 0.00 -0.97 0.70 0.20 -0.85 0.00 0.00 174.74 173.82 1wa1 s GLY 255 N -3.05 1.73 0.14 -2.22 0.00 -0.09 -4.71 107.32 99.12 1wa1 s GLY 255 Ca 0.25 -1.98 -0.16 0.00 0.00 0.00 0.00 44.72 42.83 1wa1 s GLY 255 CO 0.10 1.59 1.73 -0.55 0.00 0.00 0.00 173.10 175.97 1wa1 h ASP 256 N 9.14 0.51 -3.33 1.64 3.32 -1.41 -1.37 116.42 124.92 1wa1 h ASP 256 Ca -0.29 -0.11 -0.38 0.00 0.02 0.00 0.00 57.03 56.28 1wa1 h ASP 256 Cb 1.09 -0.13 -0.38 0.00 0.22 0.00 0.00 39.33 40.13 1wa1 h ASP 256 CO 1.05 0.48 -0.74 0.26 -1.72 0.00 0.00 179.24 178.57 1wa1 s TRP 257 N -5.77 0.19 -0.04 4.55 0.52 -1.15 -2.91 118.94 114.33 1wa1 s TRP 257 Ca -0.13 0.15 0.02 0.00 0.02 0.00 0.00 56.10 56.15 1wa1 s TRP 257 Cb 0.10 -0.52 0.01 0.00 -1.15 0.00 0.00 33.47 31.92 1wa1 s TRP 257 CO 0.74 -0.21 -0.06 0.08 0.02 0.00 0.00 176.95 177.52 1wa1 s VAL 258 N 1.97 0.64 -0.81 4.03 1.01 0.21 -0.40 120.40 127.04 1wa1 s VAL 258 Ca 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 1wa1 s VAL 258 Cb -0.12 -0.61 0.20 0.00 0.00 0.00 0.00 36.38 35.85 1wa1 s VAL 258 CO -0.03 0.23 0.68 0.26 0.00 0.00 0.00 175.10 176.23 1wa1 s TRP 259 N 0.57 3.73 0.38 5.22 0.51 -0.39 -0.99 118.94 127.97 1wa1 s TRP 259 Ca -0.08 -2.81 0.14 0.00 -2.12 0.00 0.00 56.10 51.23 1wa1 s TRP 259 Cb -0.12 -3.31 0.80 0.00 -0.81 0.00 0.00 33.47 30.03 1wa1 s TRP 259 CO 0.01 -0.81 1.86 1.05 -0.51 0.00 0.00 176.95 178.55 1wa1 h GLU 260 N 6.56 0.00 -0.00 4.98 4.11 -1.86 -0.57 114.58 127.79 1wa1 h GLU 260 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1wa1 h GLU 260 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1wa1 h GLU 260 CO 0.80 0.33 -0.17 0.25 0.07 0.00 0.00 179.01 180.29 1wa1 n THR 261 N -4.09 0.00 -1.46 -1.06 -2.24 -1.26 -4.29 114.28 99.88 1wa1 n THR 261 Ca -0.02 -0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 1wa1 n THR 261 Cb 0.37 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1wa1 n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wa1 n GLY 262 N 1.35 0.48 3.00 3.38 0.00 -0.26 -4.78 105.19 108.37 1wa1 n GLY 262 Ca 0.12 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 1wa1 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa1 s LYS 263 N -2.98 1.88 0.18 1.61 -0.14 -1.26 -0.26 119.74 118.77 1wa1 s LYS 263 Ca 0.00 -1.21 0.21 0.00 -1.36 0.00 0.00 55.97 53.61 1wa1 s LYS 263 Cb 0.00 -2.75 0.88 0.00 -1.68 0.00 0.00 37.83 34.28 1wa1 s LYS 263 CO 0.00 -0.61 1.65 1.19 -0.76 0.00 0.00 175.35 176.82 1wa1 n PHE 264 N 4.54 0.58 0.86 3.18 3.72 -1.19 -1.83 117.46 127.33 1wa1 n PHE 264 Ca -0.12 0.22 0.11 0.00 -0.05 0.00 0.00 57.45 57.62 1wa1 n PHE 264 Cb 0.43 -0.86 0.52 0.00 -0.94 0.00 0.00 39.48 38.63 1wa1 n PHE 264 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wa1 n ALA 265 N -1.69 2.11 -2.61 4.37 0.00 -1.26 -4.73 120.51 116.69 1wa1 n ALA 265 Ca 0.03 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 1wa1 n ALA 265 Cb 0.23 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 1wa1 n ALA 265 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wa1 s ASN 266 N -2.94 6.57 0.36 0.00 0.01 -0.76 -5.07 114.94 113.11 1wa1 s ASN 266 Ca 0.13 0.71 -0.28 0.00 -0.71 0.00 0.00 52.86 52.71 1wa1 s ASN 266 Cb 0.16 -2.14 -0.11 0.00 0.41 0.00 0.00 41.25 39.57 1wa1 s ASN 266 CO 0.42 0.10 1.42 -2.16 -1.51 0.00 0.00 177.10 175.37 1wa1 s PRO 267 N -2.32 4.20 0.69 -0.60 0.04 -1.26 -4.97 135.00 130.77 1wa1 s PRO 267 Ca 0.38 2.44 -0.11 0.00 0.04 0.00 0.00 61.00 63.75 1wa1 s PRO 267 Cb -0.13 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1wa1 s PRO 267 CO 0.21 -0.41 1.06 -1.25 0.04 0.00 0.00 177.00 176.65 1wa1 s PRO 268 N -1.93 3.03 0.16 0.56 0.04 -1.26 -4.94 135.00 130.66 1wa1 s PRO 268 Ca 0.52 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 1wa1 s PRO 268 Cb -0.44 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 1wa1 s PRO 268 CO 0.59 -1.01 0.39 -0.65 0.04 0.00 0.00 177.00 176.36 1wa1 s GLN 269 N -5.10 3.59 0.23 4.56 -0.21 -0.16 -4.72 119.66 117.86 1wa1 s GLN 269 Ca 0.57 -0.14 0.10 0.00 0.02 0.00 0.00 55.36 55.91 1wa1 s GLN 269 Cb -0.13 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 31.00 1wa1 s GLN 269 CO 0.55 0.44 -0.07 -0.98 -2.12 0.00 0.00 175.29 173.11 1wa1 s ARG 270 N -2.85 2.12 -1.14 2.91 1.70 -1.26 -0.62 118.95 119.81 1wa1 s ARG 270 Ca 0.41 -1.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.28 1wa1 s ARG 270 Cb -0.12 -2.12 0.00 0.00 -0.57 0.00 0.00 34.95 32.14 1wa1 s ARG 270 CO 0.26 0.39 0.00 -0.25 -1.08 0.00 0.00 175.30 174.62 1wa1 n ASP 271 N -0.44 -4.22 -4.77 -2.89 8.00 -0.85 -4.98 116.55 106.40 1wa1 n ASP 271 Ca -0.08 0.23 -0.40 0.00 0.71 0.00 0.00 54.79 55.25 1wa1 n ASP 271 Cb 0.57 -2.82 -0.01 0.00 -0.02 0.00 0.00 41.12 38.84 1wa1 n ASP 271 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wa1 s LEU 272 N -2.64 4.25 -0.13 0.64 1.43 -0.57 -4.76 118.68 116.90 1wa1 s LEU 272 Ca 0.00 2.71 -0.18 0.00 -1.03 0.00 0.00 54.13 55.64 1wa1 s LEU 272 Cb 0.00 -3.84 -0.25 0.00 0.03 0.00 0.00 46.19 42.13 1wa1 s LEU 272 CO 0.00 -0.82 0.50 1.05 0.23 0.00 0.00 176.35 177.31 1wa1 h GLU 273 N 2.80 0.18 -3.74 1.70 4.11 -1.91 -0.20 114.58 117.51 1wa1 h GLU 273 Ca -0.50 -0.30 -0.26 0.00 0.07 0.00 0.00 59.36 58.38 1wa1 h GLU 273 Cb 1.24 0.11 -0.29 0.00 0.50 0.00 0.00 28.75 30.31 1wa1 h GLU 273 CO 0.63 1.14 -0.73 0.99 0.07 0.00 0.00 179.01 181.12 1wa1 s THR 274 N -2.44 0.04 0.51 -1.06 2.01 -1.26 -4.31 115.64 109.12 1wa1 s THR 274 Ca -0.22 0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1wa1 s THR 274 Cb 0.04 -0.07 -0.01 0.00 0.01 0.00 0.00 72.50 72.47 1wa1 s THR 274 CO 0.73 0.03 0.01 -1.66 -0.69 0.00 0.00 174.62 173.04 1wa1 s TRP 275 N 0.23 1.88 -0.09 4.92 -2.14 -0.63 -4.99 118.94 118.12 1wa1 s TRP 275 Ca -0.02 -0.94 -0.01 0.00 2.66 0.00 0.00 56.10 57.79 1wa1 s TRP 275 Cb -0.03 -1.62 0.03 0.00 -3.10 0.00 0.00 33.47 28.74 1wa1 s TRP 275 CO -0.01 0.23 -0.04 0.12 -2.66 0.00 0.00 176.95 174.59 1wa1 s PHE 276 N -2.87 1.12 -0.32 1.66 5.36 -1.26 -2.75 117.98 118.91 1wa1 s PHE 276 Ca 0.07 -0.48 -0.11 0.00 -0.96 0.00 0.00 56.93 55.45 1wa1 s PHE 276 Cb 0.02 -1.04 -0.01 0.00 -0.34 0.00 0.00 43.02 41.65 1wa1 s PHE 276 CO 0.04 -0.43 0.18 0.42 -1.46 0.00 0.00 175.22 173.97 1wa1 s ILE 277 N 1.81 4.79 0.26 3.12 -1.09 -0.26 -4.57 121.20 125.26 1wa1 s ILE 277 Ca 0.05 -0.38 -0.30 0.00 -2.23 0.00 0.00 60.65 57.79 1wa1 s ILE 277 Cb -0.12 -3.46 -0.10 0.00 -1.58 0.00 0.00 42.46 37.20 1wa1 s ILE 277 CO -0.07 0.03 1.34 -0.13 -1.23 0.00 0.00 174.94 174.89 1wa1 s ARG 278 N 1.64 4.35 0.06 2.79 0.52 -1.26 -1.54 118.95 125.51 1wa1 s ARG 278 Ca 0.05 2.17 -0.37 0.00 -0.52 0.00 0.00 55.73 57.06 1wa1 s ARG 278 Cb -0.17 -3.13 -0.16 0.00 0.52 0.00 0.00 34.95 32.01 1wa1 s ARG 278 CO 0.07 -0.26 1.40 0.41 0.02 0.00 0.00 175.30 176.94 1wa1 n GLY 279 N 1.77 0.57 1.18 -3.53 0.00 -1.24 -1.74 105.19 102.19 1wa1 n GLY 279 Ca 0.04 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1wa1 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa1 n GLY 280 N 2.76 0.83 3.57 -0.02 0.00 0.72 -4.77 105.19 108.28 1wa1 n GLY 280 Ca 0.19 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1wa1 n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wa1 s SER 281 N -2.59 -0.14 -0.01 1.61 1.04 -0.71 -4.82 113.70 108.09 1wa1 s SER 281 Ca 0.00 -0.76 0.06 0.00 0.48 0.00 0.00 55.95 55.73 1wa1 s SER 281 Cb 0.00 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 1wa1 s SER 281 CO 0.00 -1.11 -0.19 0.00 0.98 0.00 0.00 173.24 172.92 1wa1 s ALA 282 N -3.96 1.62 0.41 5.32 0.00 -1.26 -1.86 121.76 122.03 1wa1 s ALA 282 Ca 0.17 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1wa1 s ALA 282 Cb -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 1wa1 s ALA 282 CO 0.04 0.39 0.03 0.20 0.00 0.00 0.00 175.76 176.43 1wa1 s GLY 283 N -0.54 2.55 -0.09 0.00 0.00 -0.46 -3.69 107.32 105.08 1wa1 s GLY 283 Ca 0.07 -1.64 -0.06 0.00 0.00 0.00 0.00 44.72 43.10 1wa1 s GLY 283 CO -0.00 -2.03 0.23 0.00 0.00 0.00 0.00 173.10 171.30 1wa1 s ALA 284 N -2.95 -0.53 -0.01 3.20 0.00 -0.97 -1.42 121.76 119.08 1wa1 s ALA 284 Ca 0.27 0.84 0.05 0.00 0.00 0.00 0.00 51.96 53.12 1wa1 s ALA 284 Cb 0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1wa1 s ALA 284 CO 0.13 -0.16 -0.16 0.00 0.00 0.00 0.00 175.76 175.57 1wa1 s ALA 285 N 0.84 1.32 -0.06 0.00 0.00 -0.60 -1.26 121.76 122.00 1wa1 s ALA 285 Ca -0.06 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 1wa1 s ALA 285 Cb -0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1wa1 s ALA 285 CO -0.05 0.32 0.11 -0.51 0.00 0.00 0.00 175.76 175.63 1wa1 s LEU 286 N -0.38 4.12 -0.10 0.00 1.43 0.47 -1.00 118.68 123.22 1wa1 s LEU 286 Ca 0.06 0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 1wa1 s LEU 286 Cb -0.06 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 44.01 1wa1 s LEU 286 CO -0.01 0.34 0.25 -0.47 0.23 0.00 0.00 176.35 176.70 1wa1 s TYR 287 N -1.10 -0.30 -0.27 0.29 5.04 -0.56 -1.10 117.35 119.35 1wa1 s TYR 287 Ca 0.19 0.72 -0.09 0.00 -2.44 0.00 0.00 57.07 55.44 1wa1 s TYR 287 Cb -0.12 0.09 -0.03 0.00 0.35 0.00 0.00 41.96 42.24 1wa1 s TYR 287 CO 0.09 -0.16 0.14 0.99 -1.34 0.00 0.00 175.55 175.26 1wa1 s THR 288 N 0.47 4.79 0.24 4.34 2.01 -1.26 -0.79 115.64 125.44 1wa1 s THR 288 Ca -0.03 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 1wa1 s THR 288 Cb -0.04 -3.29 -0.09 0.00 0.01 0.00 0.00 72.50 69.08 1wa1 s THR 288 CO -0.02 0.26 1.29 -0.36 -0.69 0.00 0.00 174.62 175.10 1wa1 s PHE 289 N 1.68 3.23 -0.06 4.92 0.08 -0.78 -4.88 117.98 122.17 1wa1 s PHE 289 Ca 0.06 1.30 0.03 0.00 0.12 0.00 0.00 56.93 58.45 1wa1 s PHE 289 Cb -0.16 -3.60 -0.04 0.00 -0.57 0.00 0.00 43.02 38.65 1wa1 s PHE 289 CO 0.07 -1.78 0.09 1.63 -0.10 0.00 0.00 175.22 175.14 1wa1 n LYS 290 N 2.10 2.32 -4.27 0.44 5.02 -1.26 -0.78 118.16 121.72 1wa1 n LYS 290 Ca 0.04 -0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.13 1wa1 n LYS 290 Cb 0.43 -0.91 -0.13 0.00 -0.02 0.00 0.00 35.03 34.39 1wa1 n LYS 290 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wa1 s GLN 291 N -1.87 0.78 0.81 1.97 -1.52 -1.26 -4.66 119.66 113.91 1wa1 s GLN 291 Ca -0.00 -0.67 -0.11 0.00 -1.95 0.00 0.00 55.36 52.62 1wa1 s GLN 291 Cb 0.02 -0.74 0.10 0.00 -0.22 0.00 0.00 33.01 32.17 1wa1 s GLN 291 CO 0.13 0.18 1.16 -1.25 -0.25 0.00 0.00 175.29 175.27 1wa1 s PRO 292 N -1.07 1.78 0.00 2.91 0.04 -1.26 -4.78 135.00 132.61 1wa1 s PRO 292 Ca -0.01 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1wa1 s PRO 292 Cb -0.07 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wa1 s PRO 292 CO 0.01 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1wa1 n GLY 293 N -3.30 0.75 3.69 0.56 0.00 -0.08 -4.94 105.19 101.86 1wa1 n GLY 293 Ca 0.09 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.49 1wa1 n GLY 293 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wa1 s VAL 294 N -0.82 5.27 0.08 1.61 1.01 -1.26 -0.62 120.40 125.67 1wa1 s VAL 294 Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.58 1wa1 s VAL 294 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1wa1 s VAL 294 CO 0.00 0.32 -0.00 -0.31 0.00 0.00 0.00 175.10 175.10 1wa1 s TYR 295 N 0.97 2.99 -0.14 5.22 1.51 0.48 -4.97 117.35 123.41 1wa1 s TYR 295 Ca 0.16 -0.02 -0.06 0.00 -1.01 0.00 0.00 57.07 56.14 1wa1 s TYR 295 Cb -0.14 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 1wa1 s TYR 295 CO 0.06 0.47 0.09 0.00 -1.11 0.00 0.00 175.55 175.06 1wa1 s ALA 296 N -1.28 3.62 -0.19 3.71 0.00 -1.25 -1.23 121.76 125.13 1wa1 s ALA 296 Ca 0.25 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1wa1 s ALA 296 Cb -0.12 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.15 1wa1 s ALA 296 CO 0.17 0.46 -0.18 -0.47 0.00 0.00 0.00 175.76 175.73 1wa1 s TYR 297 N -0.51 2.84 0.15 0.00 5.04 -0.25 -0.44 117.35 124.18 1wa1 s TYR 297 Ca 0.11 -1.71 -0.14 0.00 -2.44 0.00 0.00 57.07 52.90 1wa1 s TYR 297 Cb -0.12 -1.93 0.02 0.00 0.35 0.00 0.00 41.96 40.28 1wa1 s TYR 297 CO 0.02 -0.81 0.38 -0.48 -1.34 0.00 0.00 175.55 173.32 1wa1 s LEU 298 N 1.27 0.59 -0.18 6.97 0.05 -0.40 -0.23 118.68 126.76 1wa1 s LEU 298 Ca 0.03 -0.55 -0.29 0.00 0.05 0.00 0.00 54.13 53.37 1wa1 s LEU 298 Cb -0.14 1.65 -0.01 0.00 -2.05 0.00 0.00 46.19 45.64 1wa1 s LEU 298 CO -0.12 -0.90 1.27 0.21 -0.55 0.00 0.00 176.35 176.26 1wa1 s ASN 299 N -2.87 6.91 -0.12 1.48 3.84 -0.67 -1.07 114.94 122.44 1wa1 s ASN 299 Ca 0.09 1.64 0.02 0.00 0.21 0.00 0.00 52.86 54.82 1wa1 s ASN 299 Cb 0.02 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.41 1wa1 s ASN 299 CO -0.06 -0.80 1.15 1.57 -2.79 0.00 0.00 177.10 176.17 1wa1 n HIS 300 N 6.74 0.87 -2.79 0.43 -0.00 -0.13 -4.02 115.22 116.32 1wa1 n HIS 300 Ca 0.14 -0.67 -0.43 0.00 -0.00 0.00 0.00 57.72 56.76 1wa1 n HIS 300 Cb 0.45 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.99 30.02 1wa1 n HIS 300 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1wa1 s ASN 301 N 0.07 6.27 0.53 0.26 3.84 -1.26 -4.93 114.94 119.72 1wa1 s ASN 301 Ca 0.18 -0.54 0.29 0.00 0.21 0.00 0.00 52.86 53.00 1wa1 s ASN 301 Cb 0.15 -2.45 1.47 0.00 -0.55 0.00 0.00 41.25 39.86 1wa1 s ASN 301 CO 0.04 -1.39 2.06 -0.07 -2.79 0.00 0.00 177.10 174.95 1wa1 h LEU 302 N 11.42 0.00 -0.06 3.21 3.38 -2.00 -0.60 115.31 130.67 1wa1 h LEU 302 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1wa1 h LEU 302 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1wa1 h LEU 302 CO 1.15 0.11 -0.00 0.40 0.09 0.00 0.00 178.44 180.18 1wa1 h ILE 303 N 0.00 1.26 -0.89 1.22 2.04 -1.91 -0.22 117.51 119.01 1wa1 h ILE 303 Ca -0.00 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.12 1wa1 h ILE 303 Cb 0.36 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 1wa1 h ILE 303 CO 0.01 0.22 0.58 -0.33 0.00 0.00 0.00 178.15 178.63 1wa1 h GLU 304 N -0.20 0.93 0.36 2.37 5.08 -1.50 -0.66 114.58 120.96 1wa1 h GLU 304 Ca 0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1wa1 h GLU 304 Cb 0.36 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1wa1 h GLU 304 CO 0.00 0.62 -0.17 0.00 -1.00 0.00 0.00 179.01 178.46 1wa1 h ALA 305 N 1.53 -0.56 0.09 3.43 0.00 -1.12 -1.70 119.26 120.95 1wa1 h ALA 305 Ca 0.39 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.90 1wa1 h ALA 305 Cb 0.27 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1wa1 h ALA 305 CO -0.15 -0.52 -1.52 0.74 0.00 0.00 0.00 179.25 177.80 1wa1 h PHE 306 N -0.95 0.35 0.12 0.00 0.04 -1.05 -2.37 116.94 113.08 1wa1 h PHE 306 Ca -0.05 -0.26 -0.29 0.00 2.80 0.00 0.00 57.97 60.17 1wa1 h PHE 306 Cb 0.37 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 1wa1 h PHE 306 CO 0.02 1.32 -1.49 0.93 -0.60 0.00 0.00 178.31 178.48 1wa1 h GLU 307 N 0.05 0.25 0.00 1.51 4.39 -1.29 -3.41 114.58 116.08 1wa1 h GLU 307 Ca -0.23 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.04 1wa1 h GLU 307 Cb 1.99 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 1wa1 h GLU 307 CO 0.14 1.20 -1.32 1.28 -1.16 0.00 0.00 179.01 179.16 1wa1 n LEU 308 N -3.87 0.56 0.00 1.33 4.77 -0.73 -5.01 117.00 114.05 1wa1 n LEU 308 Ca -0.26 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1wa1 n LEU 308 Cb 0.92 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1wa1 n LEU 308 CO 0.41 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1wa1 n GLY 309 N 1.38 1.02 2.87 -0.72 0.00 -0.87 -1.11 105.19 107.77 1wa1 n GLY 309 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1wa1 n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa1 n ALA 310 N -0.04 5.37 -3.57 4.61 0.00 -0.01 -4.04 120.51 122.83 1wa1 n ALA 310 Ca 0.00 -4.37 -0.13 0.00 0.00 0.00 0.00 53.44 48.93 1wa1 n ALA 310 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 19.45 16.47 1wa1 n ALA 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wa1 s ALA 311 N -0.00 -1.63 0.01 0.00 0.00 -1.26 -1.67 121.76 117.21 1wa1 s ALA 311 Ca 0.39 1.89 0.00 0.00 0.00 0.00 0.00 51.96 54.23 1wa1 s ALA 311 Cb 0.09 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1wa1 s ALA 311 CO 0.02 -0.31 0.01 0.41 0.00 0.00 0.00 175.76 175.88 1wa1 n GLY 312 N 2.85 4.02 3.09 0.00 0.00 0.68 -4.53 105.19 111.29 1wa1 n GLY 312 Ca -0.14 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 1wa1 n GLY 312 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wa1 s GLN 313 N -2.05 0.61 -0.10 1.61 -0.21 0.16 -1.09 119.66 118.59 1wa1 s GLN 313 Ca 0.01 -0.93 0.01 0.00 0.02 0.00 0.00 55.36 54.47 1wa1 s GLN 313 Cb 0.00 -0.25 0.02 0.00 1.00 0.00 0.00 33.01 33.78 1wa1 s GLN 313 CO 0.01 0.03 -0.10 0.42 -2.12 0.00 0.00 175.29 173.53 1wa1 s ILE 314 N -2.07 1.11 -0.25 1.08 1.01 -0.37 -1.43 121.20 120.29 1wa1 s ILE 314 Ca -0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.14 1wa1 s ILE 314 Cb -0.05 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1wa1 s ILE 314 CO -0.01 0.37 0.13 -0.75 0.00 0.00 0.00 174.94 174.68 1wa1 s LYS 315 N 1.34 3.89 -0.15 2.79 2.20 0.42 -0.39 119.74 129.84 1wa1 s LYS 315 Ca -0.02 -0.36 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 1wa1 s LYS 315 Cb -0.14 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.73 1wa1 s LYS 315 CO -0.04 -0.06 -0.20 0.08 -0.36 0.00 0.00 175.35 174.76 1wa1 s VAL 316 N 1.35 2.14 0.35 4.02 1.01 0.21 -1.97 120.40 127.51 1wa1 s VAL 316 Ca 0.06 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1wa1 s VAL 316 Cb -0.15 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.29 1wa1 s VAL 316 CO 0.06 0.54 0.73 -1.61 0.00 0.00 0.00 175.10 174.82 1wa1 s GLU 317 N 0.95 3.87 0.00 2.72 0.41 -0.44 -0.91 118.70 125.30 1wa1 s GLU 317 Ca -0.03 0.53 0.00 0.00 -0.41 0.00 0.00 54.97 55.05 1wa1 s GLU 317 Cb -0.15 -2.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 1wa1 s GLU 317 CO -0.05 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.21 1wa1 n GLY 318 N -0.81 0.98 3.69 -1.39 0.00 -1.26 -0.51 105.19 105.90 1wa1 n GLY 318 Ca 0.03 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 1wa1 n GLY 318 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wa1 s LYS 319 N -1.97 4.12 0.43 1.61 2.20 -1.26 -4.65 119.74 120.22 1wa1 s LYS 319 Ca 0.00 -0.25 -0.26 0.00 -0.36 0.00 0.00 55.97 55.10 1wa1 s LYS 319 Cb 0.00 -3.45 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 1wa1 s LYS 319 CO 0.00 0.20 1.46 1.87 -0.36 0.00 0.00 175.35 178.52 1wa1 n TRP 320 N 3.83 2.82 -4.02 4.03 -0.00 -1.26 -4.50 117.44 118.34 1wa1 n TRP 320 Ca -0.16 0.44 -0.31 0.00 -0.00 0.00 0.00 57.50 57.47 1wa1 n TRP 320 Cb 0.52 -2.49 -0.15 0.00 -0.00 0.00 0.00 31.31 29.20 1wa1 n TRP 320 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1wa1 s ASN 321 N -0.37 4.73 0.53 5.87 3.84 -1.26 -4.99 114.94 123.30 1wa1 s ASN 321 Ca 0.59 -2.02 0.31 0.00 0.21 0.00 0.00 52.86 51.96 1wa1 s ASN 321 Cb -0.45 -1.62 1.40 0.00 -0.55 0.00 0.00 41.25 40.02 1wa1 s ASN 321 CO 0.59 -0.35 2.01 0.44 -2.79 0.00 0.00 177.10 177.00 1wa1 h ASP 322 N 7.66 0.00 -0.34 -4.21 5.19 -1.95 -2.41 116.42 120.35 1wa1 h ASP 322 Ca -0.07 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.26 1wa1 h ASP 322 Cb 1.02 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 1wa1 h ASP 322 CO 0.52 0.08 -0.08 -0.78 -3.12 0.00 0.00 179.24 175.85 1wa1 h ASP 323 N 0.00 0.67 -0.37 6.45 -0.00 -2.02 -3.21 116.42 117.94 1wa1 h ASP 323 Ca -0.00 -0.36 -0.14 0.00 -0.00 0.00 0.00 57.03 56.53 1wa1 h ASP 323 Cb 0.48 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.62 1wa1 h ASP 323 CO 0.01 0.87 -0.33 -0.07 -0.00 0.00 0.00 179.24 179.73 1wa1 h LEU 324 N 0.45 0.93 -7.06 2.28 3.38 -1.91 -3.46 115.31 109.92 1wa1 h LEU 324 Ca 0.09 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1wa1 h LEU 324 Cb 0.58 -0.26 -0.22 0.00 0.09 0.00 0.00 40.66 40.85 1wa1 h LEU 324 CO 0.03 1.19 0.03 -0.32 0.09 0.00 0.00 178.44 179.46 1wa1 s MET 325 N -4.43 0.73 -0.09 1.13 0.00 -0.94 -5.14 119.30 110.56 1wa1 s MET 325 Ca -0.12 0.96 -0.06 0.00 0.00 0.00 0.00 55.69 56.47 1wa1 s MET 325 Cb 0.10 0.31 0.04 0.00 0.00 0.00 0.00 34.83 35.28 1wa1 s MET 325 CO 0.86 -0.10 0.23 0.21 0.00 0.00 0.00 175.02 176.21 1wa1 s LYS 326 N 0.62 0.21 -0.54 4.11 2.20 -1.25 -4.11 119.74 120.99 1wa1 s LYS 326 Ca -0.02 0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 55.75 1wa1 s LYS 326 Cb -0.05 -0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.24 1wa1 s LYS 326 CO -0.03 -0.12 1.48 -1.14 -0.36 0.00 0.00 175.35 175.18 1wa1 s GLN 327 N 0.86 3.26 0.03 4.03 0.74 -1.26 -4.87 119.66 122.45 1wa1 s GLN 327 Ca -0.06 0.57 -0.17 0.00 0.05 0.00 0.00 55.36 55.75 1wa1 s GLN 327 Cb -0.07 -4.15 -0.26 0.00 1.10 0.00 0.00 33.01 29.63 1wa1 s GLN 327 CO -0.05 -1.98 1.10 0.82 -0.55 0.00 0.00 175.29 174.63 1wa1 h ILE 328 N 6.46 1.36 -3.22 -2.34 1.08 -2.02 -3.43 117.51 115.40 1wa1 h ILE 328 Ca -0.27 -2.26 -0.43 0.00 -0.39 0.00 0.00 64.86 61.51 1wa1 h ILE 328 Cb 1.10 2.62 -0.40 0.00 -3.07 0.00 0.00 36.82 37.08 1wa1 h ILE 328 CO 1.16 0.68 -0.75 -0.54 -0.69 0.00 0.00 178.15 178.01 1wa1 s LYS 329 N -3.11 0.19 0.88 2.37 1.02 -1.26 -5.15 119.74 114.68 1wa1 s LYS 329 Ca -0.11 0.09 -0.10 0.00 0.02 0.00 0.00 55.97 55.87 1wa1 s LYS 329 Cb 0.05 -1.18 0.13 0.00 -0.52 0.00 0.00 37.83 36.30 1wa1 s LYS 329 CO 0.88 -0.46 1.14 0.00 -0.92 0.00 0.00 175.35 175.99 1wa1 s ALA 330 N 2.08 1.63 0.13 5.17 0.00 -1.26 -4.91 121.76 124.60 1wa1 s ALA 330 Ca 0.03 0.56 -0.35 0.00 0.00 0.00 0.00 51.96 52.20 1wa1 s ALA 330 Cb -0.14 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.40 1wa1 s ALA 330 CO -0.06 -2.57 1.38 -2.30 0.00 0.00 0.00 175.76 172.21 1wa1 n PRO 331 N -4.05 1.48 -3.49 0.00 -0.02 -1.26 -4.97 135.00 122.69 1wa1 n PRO 331 Ca 0.12 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1wa1 n PRO 331 Cb 0.52 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1wa1 n PRO 331 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wa1 s ALA 332 N 0.43 -1.77 0.47 3.55 0.00 -1.26 -5.15 121.76 118.03 1wa1 s ALA 332 Ca 0.80 0.98 -0.23 0.00 0.00 0.00 0.00 51.96 53.51 1wa1 s ALA 332 Cb -0.84 0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.54 1wa1 s ALA 332 CO 0.46 -0.62 1.00 -2.30 0.00 0.00 0.00 175.76 174.29 1wa1 n PRO 333 N -0.01 1.26 -2.12 0.00 -0.02 -1.26 -4.89 135.00 127.96 1wa1 n PRO 333 Ca -0.13 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 1wa1 n PRO 333 Cb 0.62 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1wa1 n PRO 333 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wa1 s ILE 334 N -1.35 3.56 0.19 4.25 1.01 -1.26 -4.95 121.20 122.65 1wa1 s ILE 334 Ca 0.66 0.90 -0.33 0.00 0.00 0.00 0.00 60.65 61.88 1wa1 s ILE 334 Cb -0.51 -3.58 -0.14 0.00 0.01 0.00 0.00 42.46 38.24 1wa1 s ILE 334 CO 0.55 -0.02 1.44 -2.65 0.00 0.00 0.00 174.94 174.25 1wa1 n PRO 335 N 5.86 1.91 0.00 2.79 -0.02 -1.26 -5.35 135.00 138.93 1wa1 n PRO 335 Ca 0.15 0.69 0.15 0.00 -2.02 0.00 0.00 63.50 62.47 1wa1 n PRO 335 Cb 0.43 -2.37 0.91 0.00 -0.02 0.00 0.00 33.50 32.45 1wa1 n PRO 335 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37