#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa2 h ALA 3 N 0.00 1.02 0.00 -1.67 0.00 -2.02 -3.04 119.26 113.55 1wa2 h ALA 3 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1wa2 h ALA 3 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wa2 h ALA 3 CO 0.00 0.19 -0.32 -0.44 0.00 0.00 0.00 179.25 178.68 1wa2 h ASP 4 N 0.00 0.00 0.97 0.00 3.32 -2.04 -3.01 116.42 115.65 1wa2 h ASP 4 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wa2 h ASP 4 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1wa2 h ASP 4 CO 0.02 0.32 -0.29 0.29 -1.72 0.00 0.00 179.24 177.86 1wa2 n LYS 5 N -3.99 0.15 -2.38 3.56 5.02 -1.15 -4.92 118.16 114.45 1wa2 n LYS 5 Ca -0.02 0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 56.02 1wa2 n LYS 5 Cb 0.38 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 1wa2 n LYS 5 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wa2 s LEU 6 N -3.71 3.68 0.38 -0.35 1.43 -1.14 -5.02 118.68 113.95 1wa2 s LEU 6 Ca 0.10 1.76 -0.27 0.00 -1.03 0.00 0.00 54.13 54.69 1wa2 s LEU 6 Cb 0.15 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.74 1wa2 s LEU 6 CO 0.64 -0.80 1.40 -2.84 0.23 0.00 0.00 176.35 174.98 1wa2 s PRO 7 N -3.73 4.07 -0.09 1.29 0.02 -1.26 -4.75 135.00 130.54 1wa2 s PRO 7 Ca 0.63 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.93 1wa2 s PRO 7 Cb -0.13 -2.91 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 1wa2 s PRO 7 CO 0.28 -0.49 0.27 -1.01 -0.33 0.00 0.00 177.00 175.71 1wa2 s HIS 8 N -1.16 3.60 0.21 6.54 3.76 -1.26 -1.61 115.29 125.37 1wa2 s HIS 8 Ca 0.54 0.69 0.10 0.00 -0.15 0.00 0.00 55.06 56.24 1wa2 s HIS 8 Cb -0.43 -2.16 -0.05 0.00 1.11 0.00 0.00 32.58 31.05 1wa2 s HIS 8 CO 0.57 0.57 -0.20 -0.08 -0.85 0.00 0.00 174.74 174.75 1wa2 s THR 9 N -0.62 2.15 -0.08 1.30 -1.32 -0.32 -4.95 115.64 111.80 1wa2 s THR 9 Ca 0.18 -2.13 0.04 0.00 -1.21 0.00 0.00 61.69 58.57 1wa2 s THR 9 Cb -0.14 -2.08 -0.00 0.00 -1.51 0.00 0.00 72.50 68.77 1wa2 s THR 9 CO 0.07 -0.32 -0.22 -0.54 -2.21 0.00 0.00 174.62 171.40 1wa2 s LYS 10 N -3.07 2.60 -0.09 7.08 3.01 -1.26 -0.65 119.74 127.36 1wa2 s LYS 10 Ca 0.22 -0.79 0.03 0.00 -1.01 0.00 0.00 55.97 54.41 1wa2 s LYS 10 Cb -0.05 -2.06 -0.02 0.00 -1.01 0.00 0.00 37.83 34.69 1wa2 s LYS 10 CO 0.10 0.22 -0.17 0.08 0.51 0.00 0.00 175.35 176.09 1wa2 s VAL 11 N 0.23 2.77 -0.30 3.17 1.01 -0.82 -4.94 120.40 121.52 1wa2 s VAL 11 Ca -0.13 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 1wa2 s VAL 11 Cb -0.16 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1wa2 s VAL 11 CO 0.06 0.56 0.30 -0.89 0.00 0.00 0.00 175.10 175.13 1wa2 s THR 12 N -0.07 5.22 0.57 3.92 2.01 -1.26 -4.69 115.64 121.34 1wa2 s THR 12 Ca -0.04 0.25 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 1wa2 s THR 12 Cb -0.14 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1wa2 s THR 12 CO 0.04 0.11 1.02 -0.76 -0.69 0.00 0.00 174.62 174.34 1wa2 s LEU 13 N 1.93 3.48 0.16 4.42 1.43 -1.26 -4.85 118.68 124.00 1wa2 s LEU 13 Ca 0.11 1.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.93 1wa2 s LEU 13 Cb -0.16 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 1wa2 s LEU 13 CO 0.11 -0.92 -0.16 0.68 0.23 0.00 0.00 176.35 176.29 1wa2 s VAL 14 N -2.67 1.61 0.19 -1.59 -7.23 -1.26 -5.02 120.40 104.43 1wa2 s VAL 14 Ca 0.60 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 1wa2 s VAL 14 Cb -0.13 -1.79 -0.08 0.00 0.56 0.00 0.00 36.38 34.94 1wa2 s VAL 14 CO 0.38 -0.43 1.30 0.00 -0.31 0.00 0.00 175.10 176.04 1wa2 s ALA 15 N -2.35 3.51 0.64 1.32 0.00 -1.26 -4.58 121.76 119.05 1wa2 s ALA 15 Ca 0.15 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 53.02 1wa2 s ALA 15 Cb -0.04 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1wa2 s ALA 15 CO 0.05 -0.52 0.60 -2.30 0.00 0.00 0.00 175.76 173.60 1wa2 n PRO 16 N 2.73 0.48 -0.02 0.00 -0.02 -1.26 -2.19 135.00 134.73 1wa2 n PRO 16 Ca 0.06 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.86 1wa2 n PRO 16 Cb 0.43 -1.84 0.62 0.00 -0.02 0.00 0.00 33.50 32.70 1wa2 n PRO 16 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wa2 n PRO 17 N -0.52 1.23 -1.51 0.52 -0.04 -1.26 -5.06 135.00 128.36 1wa2 n PRO 17 Ca 0.11 -0.34 -0.30 0.00 -0.04 0.00 0.00 63.50 62.94 1wa2 n PRO 17 Cb 0.49 -1.39 0.10 0.00 -0.04 0.00 0.00 33.50 32.66 1wa2 n PRO 17 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1wa2 s GLN 18 N -1.96 1.81 -0.01 0.54 1.11 -0.93 -0.49 119.66 119.74 1wa2 s GLN 18 Ca 0.35 0.60 0.04 0.00 0.01 0.00 0.00 55.36 56.37 1wa2 s GLN 18 Cb 0.17 -1.89 -0.01 0.00 -1.01 0.00 0.00 33.01 30.27 1wa2 s GLN 18 CO 0.28 -1.80 -0.13 0.08 0.01 0.00 0.00 175.29 173.73 1wa2 s VAL 19 N -3.15 1.06 0.51 1.09 1.01 -1.26 -4.63 120.40 115.04 1wa2 s VAL 19 Ca 0.62 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 1wa2 s VAL 19 Cb -0.15 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 1wa2 s VAL 19 CO 0.54 0.27 1.32 -1.38 0.00 0.00 0.00 175.10 175.85 1wa2 s HIS 20 N -0.36 2.45 0.14 5.22 -3.43 -1.26 -4.89 115.29 113.16 1wa2 s HIS 20 Ca 0.05 1.41 -0.33 0.00 -0.80 0.00 0.00 55.06 55.38 1wa2 s HIS 20 Cb -0.05 -3.70 -0.17 0.00 -1.43 0.00 0.00 32.58 27.22 1wa2 s HIS 20 CO -0.00 -2.54 1.03 -2.30 -2.00 0.00 0.00 174.74 168.92 1wa2 n PRO 21 N -0.80 0.71 -3.51 -0.38 -0.02 -1.26 -4.99 135.00 124.76 1wa2 n PRO 21 Ca 0.09 0.25 -0.11 0.00 -2.02 0.00 0.00 63.50 61.72 1wa2 n PRO 21 Cb 0.45 -1.67 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 1wa2 n PRO 21 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1wa2 s HIS 22 N -0.29 -0.46 0.27 6.00 -3.43 -1.26 -5.07 115.29 111.05 1wa2 s HIS 22 Ca 0.75 0.21 -0.14 0.00 -0.80 0.00 0.00 55.06 55.09 1wa2 s HIS 22 Cb -0.95 0.59 -0.08 0.00 -1.43 0.00 0.00 32.58 30.70 1wa2 s HIS 22 CO 0.54 -0.91 0.66 -1.21 -2.00 0.00 0.00 174.74 171.82 1wa2 s GLU 23 N -3.75 3.96 0.00 -0.38 2.02 -1.26 -5.08 118.70 114.21 1wa2 s GLU 23 Ca 0.03 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.56 1wa2 s GLU 23 Cb -0.02 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1wa2 s GLU 23 CO -0.09 0.26 0.00 1.04 0.02 0.00 0.00 175.26 176.49 1wa2 n GLN 24 N -0.10 0.00 -1.75 1.61 6.02 -1.26 -4.91 117.38 116.99 1wa2 n GLN 24 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 1wa2 n GLN 24 Cb 0.53 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.79 1wa2 n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wa2 n ALA 25 N -3.00 2.02 -3.14 -1.58 0.00 -1.26 -4.45 120.51 109.10 1wa2 n ALA 25 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.66 1wa2 n ALA 25 Cb 0.00 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 16.98 1wa2 n ALA 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1wa2 s THR 26 N -1.12 0.06 -1.56 0.00 -1.32 -0.48 -4.89 115.64 106.33 1wa2 s THR 26 Ca 0.55 -0.50 0.26 0.00 -1.21 0.00 0.00 61.69 60.79 1wa2 s THR 26 Cb -0.50 -0.46 0.23 0.00 -1.51 0.00 0.00 72.50 70.26 1wa2 s THR 26 CO 0.63 -0.28 1.57 0.29 -2.21 0.00 0.00 174.62 174.62 1wa2 n LYS 27 N 1.70 0.62 -2.18 7.08 4.01 -1.26 -4.73 118.16 123.39 1wa2 n LYS 27 Ca -0.20 -0.34 -0.38 0.00 -0.51 0.00 0.00 58.31 56.87 1wa2 n LYS 27 Cb 0.56 -1.49 -0.01 0.00 -0.51 0.00 0.00 35.03 33.58 1wa2 n LYS 27 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1wa2 s SER 28 N -2.62 6.23 0.94 4.39 0.15 -1.26 -5.05 113.70 116.48 1wa2 s SER 28 Ca 0.22 2.44 -0.14 0.00 0.70 0.00 0.00 55.95 59.16 1wa2 s SER 28 Cb 0.19 -2.62 0.20 0.00 -1.71 0.00 0.00 66.02 62.08 1wa2 s SER 28 CO 0.56 -0.88 1.29 -0.83 1.20 0.00 0.00 173.24 174.58 1wa2 s GLY 29 N -1.11 1.78 0.54 9.45 0.00 -1.26 -5.03 107.32 111.69 1wa2 s GLY 29 Ca 0.61 -1.27 -0.22 0.00 0.00 0.00 0.00 44.72 43.83 1wa2 s GLY 29 CO 0.40 -0.52 1.38 -4.14 0.00 0.00 0.00 173.10 170.23 1wa2 s PRO 30 N -5.82 3.18 0.14 2.90 0.02 -1.26 -5.01 135.00 129.15 1wa2 s PRO 30 Ca 0.73 2.29 0.04 0.00 0.02 0.00 0.00 61.00 64.08 1wa2 s PRO 30 Cb -0.04 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 32.13 1wa2 s PRO 30 CO 0.52 -1.17 -0.09 0.15 -0.33 0.00 0.00 177.00 176.08 1wa2 s LYS 31 N -2.86 1.02 -0.51 5.54 1.02 -1.26 -4.52 119.74 118.18 1wa2 s LYS 31 Ca 0.70 -1.43 -0.23 0.00 0.02 0.00 0.00 55.97 55.04 1wa2 s LYS 31 Cb -0.42 -0.54 0.04 0.00 -0.52 0.00 0.00 37.83 36.39 1wa2 s LYS 31 CO 0.50 0.06 0.83 0.08 -0.92 0.00 0.00 175.35 175.90 1wa2 s VAL 32 N -3.38 4.56 -0.23 3.17 1.01 -0.63 -1.15 120.40 123.75 1wa2 s VAL 32 Ca 0.16 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 1wa2 s VAL 32 Cb 0.03 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1wa2 s VAL 32 CO -0.00 -0.92 0.50 -0.69 0.00 0.00 0.00 175.10 173.98 1wa2 s VAL 33 N 3.49 5.10 -0.20 2.92 1.01 0.37 -1.17 120.40 131.91 1wa2 s VAL 33 Ca 0.27 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 63.04 1wa2 s VAL 33 Cb -0.14 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1wa2 s VAL 33 CO 0.19 0.14 0.12 -1.61 0.00 0.00 0.00 175.10 173.94 1wa2 s GLU 34 N 1.96 4.11 0.20 2.72 2.02 0.18 -1.02 118.70 128.86 1wa2 s GLU 34 Ca 0.22 -0.26 0.08 0.00 0.02 0.00 0.00 54.97 55.03 1wa2 s GLU 34 Cb -0.15 -3.39 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 1wa2 s GLU 34 CO 0.09 0.24 -0.16 -0.06 0.02 0.00 0.00 175.26 175.39 1wa2 s PHE 35 N 0.52 1.78 -0.01 1.61 0.40 -0.34 -1.94 117.98 120.00 1wa2 s PHE 35 Ca 0.07 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.90 1wa2 s PHE 35 Cb -0.12 -0.84 -0.00 0.00 0.51 0.00 0.00 43.02 42.57 1wa2 s PHE 35 CO -0.00 0.38 -0.08 -0.08 0.70 0.00 0.00 175.22 176.14 1wa2 s THR 36 N -2.67 0.68 0.03 0.64 -1.32 -1.26 -0.90 115.64 110.85 1wa2 s THR 36 Ca 0.21 -0.34 0.05 0.00 -1.21 0.00 0.00 61.69 60.40 1wa2 s THR 36 Cb -0.03 -0.59 -0.02 0.00 -1.51 0.00 0.00 72.50 70.35 1wa2 s THR 36 CO 0.07 0.20 -0.14 -0.04 -2.21 0.00 0.00 174.62 172.51 1wa2 s MET 37 N -0.02 0.95 -0.17 7.08 -1.94 -0.59 -4.93 119.30 119.68 1wa2 s MET 37 Ca 0.01 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 1wa2 s MET 37 Cb -0.05 -0.96 0.01 0.00 2.01 0.00 0.00 34.83 35.84 1wa2 s MET 37 CO -0.00 0.24 -0.17 0.99 -0.01 0.00 0.00 175.02 176.07 1wa2 s THR 38 N -0.81 2.42 0.28 2.05 2.01 -1.26 -1.09 115.64 119.24 1wa2 s THR 38 Ca 0.02 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 60.89 1wa2 s THR 38 Cb -0.08 -2.02 -0.10 0.00 0.01 0.00 0.00 72.50 70.32 1wa2 s THR 38 CO 0.01 0.52 1.23 -0.63 -0.69 0.00 0.00 174.62 175.06 1wa2 s ILE 39 N 1.06 3.10 -0.16 1.82 1.01 -0.24 -0.84 121.20 126.95 1wa2 s ILE 39 Ca -0.01 1.06 -0.03 0.00 0.00 0.00 0.00 60.65 61.67 1wa2 s ILE 39 Cb -0.14 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.71 1wa2 s ILE 39 CO -0.05 0.23 0.04 -0.70 0.00 0.00 0.00 174.94 174.46 1wa2 s GLU 40 N -1.30 0.50 0.08 2.79 2.12 -0.45 -4.48 118.70 117.95 1wa2 s GLU 40 Ca 0.49 -0.22 -0.29 0.00 0.36 0.00 0.00 54.97 55.30 1wa2 s GLU 40 Cb -0.36 -1.78 -0.05 0.00 0.26 0.00 0.00 34.13 32.20 1wa2 s GLU 40 CO 0.46 -0.57 0.95 -1.21 -0.54 0.00 0.00 175.26 174.34 1wa2 s GLU 41 N 1.95 4.64 0.10 4.30 2.02 -1.26 -1.77 118.70 128.69 1wa2 s GLU 41 Ca 0.01 1.40 -0.25 0.00 0.02 0.00 0.00 54.97 56.15 1wa2 s GLU 41 Cb -0.16 -3.40 0.08 0.00 0.10 0.00 0.00 34.13 30.75 1wa2 s GLU 41 CO -0.07 0.15 0.66 -1.59 0.02 0.00 0.00 175.26 174.43 1wa2 s LYS 42 N 0.25 1.16 0.05 1.61 -2.85 -0.71 -5.00 119.74 114.25 1wa2 s LYS 42 Ca 0.47 -0.34 -0.26 0.00 -1.00 0.00 0.00 55.97 54.85 1wa2 s LYS 42 Cb -0.22 0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 1wa2 s LYS 42 CO 0.29 -0.49 0.79 0.21 0.10 0.00 0.00 175.35 176.25 1wa2 s LYS 43 N -3.28 4.52 0.01 1.78 2.20 -1.26 -0.79 119.74 122.92 1wa2 s LYS 43 Ca 0.00 1.11 0.03 0.00 -0.36 0.00 0.00 55.97 56.75 1wa2 s LYS 43 Cb -0.01 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1wa2 s LYS 43 CO -0.09 0.26 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.42 1wa2 s MET 44 N 0.00 0.73 -0.17 4.03 -1.94 -0.35 -4.93 119.30 116.68 1wa2 s MET 44 Ca 0.40 -0.51 -0.21 0.00 -1.71 0.00 0.00 55.69 53.65 1wa2 s MET 44 Cb -0.21 -0.69 -0.03 0.00 2.01 0.00 0.00 34.83 35.92 1wa2 s MET 44 CO 0.24 0.18 0.64 0.08 -0.01 0.00 0.00 175.02 176.15 1wa2 s VAL 45 N -0.58 5.03 -0.67 -6.03 1.01 -1.26 -0.73 120.40 117.17 1wa2 s VAL 45 Ca 0.01 1.24 0.08 0.00 0.00 0.00 0.00 61.98 63.31 1wa2 s VAL 45 Cb -0.06 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1wa2 s VAL 45 CO 0.00 0.14 0.52 2.30 0.00 0.00 0.00 175.10 178.07 1wa2 n ILE 46 N 4.47 0.00 -4.03 2.22 -5.35 -0.38 -4.82 119.36 111.47 1wa2 n ILE 46 Ca -0.01 -0.41 -0.14 0.00 -0.27 0.00 0.00 62.75 61.92 1wa2 n ILE 46 Cb 0.50 1.08 -0.03 0.00 -1.74 0.00 0.00 39.64 39.45 1wa2 n ILE 46 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1wa2 n ASP 47 N -0.41 -1.24 0.20 7.28 5.68 -1.25 -1.19 116.55 125.61 1wa2 n ASP 47 Ca 0.03 -2.75 0.13 0.00 -0.50 0.00 0.00 54.79 51.69 1wa2 n ASP 47 Cb 0.16 2.33 0.25 0.00 -1.14 0.00 0.00 41.12 42.72 1wa2 n ASP 47 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1wa2 h ASP 48 N 1.82 0.00 -0.23 -1.12 -0.00 -1.94 -3.18 116.42 111.77 1wa2 h ASP 48 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.78 1wa2 h ASP 48 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.43 1wa2 h ASP 48 CO 0.34 0.00 0.00 2.29 -0.00 0.00 0.00 179.24 181.87 1wa2 n LYS 49 N -2.95 2.20 -0.16 4.15 2.85 -1.26 -4.95 118.16 118.04 1wa2 n LYS 49 Ca 0.04 -1.80 0.00 0.00 -1.05 0.00 0.00 58.31 55.50 1wa2 n LYS 49 Cb 0.49 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1wa2 n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wa2 n GLY 50 N 1.35 0.88 3.74 2.58 0.00 -1.20 -5.05 105.19 107.49 1wa2 n GLY 50 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1wa2 n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wa2 n THR 51 N -2.14 1.25 -4.17 2.61 -1.04 -1.26 -4.87 114.28 104.65 1wa2 n THR 51 Ca 0.00 -0.31 -0.26 0.00 -2.04 0.00 0.00 64.05 61.44 1wa2 n THR 51 Cb 0.00 -1.91 -0.07 0.00 -1.82 0.00 0.00 70.33 66.53 1wa2 n THR 51 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1wa2 s THR 52 N -0.27 4.00 -0.10 12.58 -4.23 -1.26 -1.25 115.64 125.11 1wa2 s THR 52 Ca 0.62 -1.34 0.03 0.00 -1.18 0.00 0.00 61.69 59.81 1wa2 s THR 52 Cb -0.51 -3.04 0.01 0.00 1.34 0.00 0.00 72.50 70.31 1wa2 s THR 52 CO 0.52 -0.14 -0.17 -0.22 -0.54 0.00 0.00 174.62 174.07 1wa2 s LEU 53 N -3.09 1.83 -0.78 4.79 2.96 0.09 -4.92 118.68 119.55 1wa2 s LEU 53 Ca 0.29 -0.44 -0.26 0.00 -0.22 0.00 0.00 54.13 53.50 1wa2 s LEU 53 Cb -0.09 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.47 1wa2 s LEU 53 CO 0.21 0.06 1.61 -1.10 -1.32 0.00 0.00 176.35 175.81 1wa2 s GLN 54 N 0.71 2.98 0.28 1.98 -1.52 -1.26 -1.21 119.66 121.62 1wa2 s GLN 54 Ca -0.12 -0.16 0.05 0.00 -1.95 0.00 0.00 55.36 53.17 1wa2 s GLN 54 Cb -0.16 -4.63 -0.03 0.00 -0.22 0.00 0.00 33.01 27.97 1wa2 s GLN 54 CO 0.03 -2.56 0.41 0.00 -0.25 0.00 0.00 175.29 172.92 1wa2 s ALA 55 N 7.40 3.96 -0.02 6.09 0.00 0.03 -4.90 121.76 134.31 1wa2 s ALA 55 Ca 0.53 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1wa2 s ALA 55 Cb -0.08 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.28 1wa2 s ALA 55 CO 0.09 0.13 -0.03 -1.64 0.00 0.00 0.00 175.76 174.32 1wa2 s MET 56 N -4.08 0.38 0.03 0.00 1.00 -0.58 -1.75 119.30 114.30 1wa2 s MET 56 Ca 0.37 -0.06 -0.00 0.00 0.00 0.00 0.00 55.69 56.01 1wa2 s MET 56 Cb -0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 34.83 34.27 1wa2 s MET 56 CO 0.31 -0.02 -0.03 0.95 0.00 0.00 0.00 175.02 176.23 1wa2 s THR 57 N 0.45 0.18 -0.14 2.05 -4.23 -0.73 -2.55 115.64 110.67 1wa2 s THR 57 Ca -0.05 -1.17 -0.21 0.00 -1.18 0.00 0.00 61.69 59.09 1wa2 s THR 57 Cb -0.08 -0.63 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 1wa2 s THR 57 CO -0.01 -0.63 0.61 -0.36 -0.54 0.00 0.00 174.62 173.70 1wa2 s PHE 58 N -2.12 3.46 -1.76 3.99 0.08 -1.26 -1.34 117.98 119.03 1wa2 s PHE 58 Ca -0.09 1.00 0.00 0.00 0.12 0.00 0.00 56.93 57.96 1wa2 s PHE 58 Cb -0.05 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 1wa2 s PHE 58 CO -0.03 -0.02 0.00 0.09 -0.10 0.00 0.00 175.22 175.16 1wa2 n ASN 59 N 4.38 -4.92 0.00 1.36 4.13 -0.02 -2.94 115.26 117.25 1wa2 n ASN 59 Ca -0.03 0.29 0.00 0.00 1.68 0.00 0.00 54.58 56.53 1wa2 n ASN 59 Cb 0.51 -4.30 0.00 0.00 -1.54 0.00 0.00 39.78 34.45 1wa2 n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wa2 n GLY 60 N -0.57 0.91 3.33 7.41 0.00 -1.26 -4.99 105.19 110.02 1wa2 n GLY 60 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1wa2 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wa2 s SER 61 N -2.86 2.79 -0.22 1.61 1.04 -1.15 -5.03 113.70 109.88 1wa2 s SER 61 Ca 0.00 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.60 1wa2 s SER 61 Cb 0.00 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 1wa2 s SER 61 CO 0.00 0.04 -0.02 -0.04 0.98 0.00 0.00 173.24 174.20 1wa2 s MET 62 N -2.38 3.47 1.09 4.02 -1.94 -1.26 -3.01 119.30 119.29 1wa2 s MET 62 Ca 0.13 -0.58 -0.17 0.00 -1.71 0.00 0.00 55.69 53.36 1wa2 s MET 62 Cb -0.08 -3.06 0.24 0.00 2.01 0.00 0.00 34.83 33.94 1wa2 s MET 62 CO 0.06 -0.13 1.16 -1.25 -0.01 0.00 0.00 175.02 174.85 1wa2 s PRO 63 N 1.35 -0.36 1.14 2.03 0.04 -1.26 -3.45 135.00 134.50 1wa2 s PRO 63 Ca 0.04 -0.06 -0.13 0.00 0.04 0.00 0.00 61.00 60.89 1wa2 s PRO 63 Cb -0.14 -1.70 0.26 0.00 0.04 0.00 0.00 34.50 32.95 1wa2 s PRO 63 CO -0.01 -3.14 0.93 0.41 0.04 0.00 0.00 177.00 175.23 1wa2 n GLY 64 N -1.79 -1.89 3.75 0.56 0.00 0.37 -4.76 105.19 101.43 1wa2 n GLY 64 Ca 0.12 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 1wa2 n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wa2 s PRO 65 N -4.32 2.79 -0.15 1.61 0.04 -1.26 -4.54 135.00 129.16 1wa2 s PRO 65 Ca 0.67 1.67 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 1wa2 s PRO 65 Cb -0.24 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1wa2 s PRO 65 CO 0.65 -1.31 0.89 0.99 0.04 0.00 0.00 177.00 178.25 1wa2 s THR 66 N -1.90 4.85 -0.12 1.26 2.01 -1.26 -4.29 115.64 116.19 1wa2 s THR 66 Ca 0.73 1.76 -0.15 0.00 0.31 0.00 0.00 61.69 64.35 1wa2 s THR 66 Cb -0.27 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 1wa2 s THR 66 CO 0.37 0.01 0.36 -0.76 -0.69 0.00 0.00 174.62 173.91 1wa2 s LEU 67 N 2.14 4.30 -0.11 4.42 1.02 -0.55 -4.52 118.68 125.38 1wa2 s LEU 67 Ca 0.41 0.67 0.01 0.00 0.02 0.00 0.00 54.13 55.24 1wa2 s LEU 67 Cb -0.17 -2.49 0.02 0.00 0.02 0.00 0.00 46.19 43.57 1wa2 s LEU 67 CO 0.14 0.12 -0.14 -0.69 0.02 0.00 0.00 176.35 175.79 1wa2 s VAL 68 N 0.20 1.45 0.16 -1.59 1.01 -1.26 -0.13 120.40 120.24 1wa2 s VAL 68 Ca 0.20 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1wa2 s VAL 68 Cb -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1wa2 s VAL 68 CO 0.07 0.43 0.10 1.33 0.00 0.00 0.00 175.10 177.03 1wa2 n VAL 69 N 4.29 0.00 -4.28 2.92 0.24 -0.56 -5.01 118.33 115.93 1wa2 n VAL 69 Ca -0.19 -1.05 -0.28 0.00 -2.04 0.00 0.00 64.34 60.79 1wa2 n VAL 69 Cb 0.51 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 33.25 1wa2 n VAL 69 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1wa2 s HIS 70 N -2.43 2.64 0.16 6.34 3.76 -1.26 -1.36 115.29 123.14 1wa2 s HIS 70 Ca 0.14 -0.21 -0.34 0.00 -0.15 0.00 0.00 55.06 54.50 1wa2 s HIS 70 Cb 0.01 -1.32 -0.14 0.00 1.11 0.00 0.00 32.58 32.24 1wa2 s HIS 70 CO 0.10 0.48 1.60 -1.91 -0.85 0.00 0.00 174.74 174.15 1wa2 n GLU 71 N 0.27 2.20 0.00 1.40 2.13 0.31 -1.20 120.64 125.77 1wa2 n GLU 71 Ca -0.12 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1wa2 n GLU 71 Cb 0.54 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.68 1wa2 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wa2 n GLY 72 N 3.48 3.26 3.60 8.31 0.00 -0.59 -4.64 105.19 118.62 1wa2 n GLY 72 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1wa2 n GLY 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wa2 s ASP 73 N -0.34 2.20 -0.10 1.61 1.01 -0.34 -4.68 116.67 116.04 1wa2 s ASP 73 Ca 0.00 1.72 0.03 0.00 0.71 0.00 0.00 52.55 55.01 1wa2 s ASP 73 Cb 0.00 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.57 1wa2 s ASP 73 CO 0.00 -3.48 -0.18 -0.31 0.21 0.00 0.00 175.17 171.41 1wa2 s TYR 74 N -2.64 2.66 -0.07 4.23 1.51 -0.30 -0.85 117.35 121.89 1wa2 s TYR 74 Ca 0.67 -0.68 -0.18 0.00 -1.01 0.00 0.00 57.07 55.87 1wa2 s TYR 74 Cb -0.22 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 1wa2 s TYR 74 CO 0.61 -0.20 0.48 0.08 -1.11 0.00 0.00 175.55 175.41 1wa2 s VAL 75 N 0.07 5.09 -0.31 0.71 1.01 0.33 -0.48 120.40 126.83 1wa2 s VAL 75 Ca -0.08 0.99 0.01 0.00 0.00 0.00 0.00 61.98 62.89 1wa2 s VAL 75 Cb -0.15 -3.82 0.10 0.00 0.00 0.00 0.00 36.38 32.51 1wa2 s VAL 75 CO 0.05 0.40 0.07 -1.58 0.00 0.00 0.00 175.10 174.05 1wa2 s GLN 76 N 0.09 1.00 -0.17 2.72 0.74 -0.19 -1.10 119.66 122.76 1wa2 s GLN 76 Ca 0.26 -1.31 -0.08 0.00 0.05 0.00 0.00 55.36 54.28 1wa2 s GLN 76 Cb -0.16 -2.41 -0.04 0.00 1.10 0.00 0.00 33.01 31.50 1wa2 s GLN 76 CO 0.12 -0.95 0.09 -1.17 -0.55 0.00 0.00 175.29 172.84 1wa2 s LEU 77 N 1.38 4.03 -0.31 3.68 2.96 0.42 -1.20 118.68 129.64 1wa2 s LEU 77 Ca 0.09 0.21 -0.13 0.00 -0.22 0.00 0.00 54.13 54.08 1wa2 s LEU 77 Cb -0.18 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1wa2 s LEU 77 CO -0.18 0.24 0.26 -0.89 -1.32 0.00 0.00 176.35 174.45 1wa2 s THR 78 N -0.00 5.26 -0.31 3.68 2.01 -0.07 -0.78 115.64 125.43 1wa2 s THR 78 Ca 0.08 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.03 1wa2 s THR 78 Cb -0.12 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1wa2 s THR 78 CO 0.00 0.09 0.19 -0.22 -0.69 0.00 0.00 174.62 173.99 1wa2 s LEU 79 N 1.83 4.18 -0.21 4.42 2.96 0.71 -1.54 118.68 131.03 1wa2 s LEU 79 Ca 0.08 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 1wa2 s LEU 79 Cb -0.17 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1wa2 s LEU 79 CO 0.11 -0.16 0.04 -0.69 -1.32 0.00 0.00 176.35 174.33 1wa2 s VAL 80 N 1.69 4.28 -0.61 1.68 1.01 -0.25 -2.10 120.40 126.10 1wa2 s VAL 80 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1wa2 s VAL 80 Cb -0.17 -2.95 0.16 0.00 0.00 0.00 0.00 36.38 33.42 1wa2 s VAL 80 CO 0.09 0.41 0.43 0.21 0.00 0.00 0.00 175.10 176.24 1wa2 s ASN 81 N 0.97 5.22 0.78 3.32 2.47 -0.34 -1.08 114.94 126.29 1wa2 s ASN 81 Ca 0.03 -2.82 -0.15 0.00 0.42 0.00 0.00 52.86 50.33 1wa2 s ASN 81 Cb -0.14 -1.85 0.01 0.00 -1.45 0.00 0.00 41.25 37.82 1wa2 s ASN 81 CO 0.02 -0.37 0.75 -2.65 -3.72 0.00 0.00 177.10 171.13 1wa2 n PRO 82 N 3.52 0.22 0.21 0.43 -0.02 -1.26 0.62 135.00 138.72 1wa2 n PRO 82 Ca 0.07 0.13 0.15 0.00 -2.02 0.00 0.00 63.50 61.83 1wa2 n PRO 82 Cb 0.38 -2.05 0.65 0.00 -0.02 0.00 0.00 33.50 32.45 1wa2 n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wa2 h ALA 83 N -0.67 1.00 0.00 3.55 0.00 -1.89 -2.17 119.26 119.08 1wa2 h ALA 83 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1wa2 h ALA 83 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wa2 h ALA 83 CO 0.43 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.93 1wa2 n THR 84 N -2.67 0.86 -2.40 0.00 -2.24 -1.26 -4.72 114.28 101.84 1wa2 n THR 84 Ca 0.01 0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.71 1wa2 n THR 84 Cb 0.23 -1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 1wa2 n THR 84 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wa2 s ASN 85 N -4.00 6.46 -0.14 3.42 0.01 -0.83 -4.99 114.94 114.87 1wa2 s ASN 85 Ca 0.05 1.35 0.19 0.00 -0.71 0.00 0.00 52.86 53.74 1wa2 s ASN 85 Cb 0.09 -2.42 -0.27 0.00 0.41 0.00 0.00 41.25 39.05 1wa2 s ASN 85 CO 0.37 -0.61 0.21 0.00 -1.51 0.00 0.00 177.10 175.56 1wa2 n ALA 86 N -1.88 1.90 -2.71 0.60 0.00 -1.26 -4.72 120.51 112.44 1wa2 n ALA 86 Ca 0.05 -1.07 -0.27 0.00 0.00 0.00 0.00 53.44 52.14 1wa2 n ALA 86 Cb 0.54 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 1wa2 n ALA 86 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wa2 s MET 87 N -2.81 2.58 0.66 0.00 -1.94 -1.26 -4.89 119.30 111.64 1wa2 s MET 87 Ca -0.09 -1.00 -0.13 0.00 -1.71 0.00 0.00 55.69 52.76 1wa2 s MET 87 Cb 0.08 -2.47 -0.00 0.00 2.01 0.00 0.00 34.83 34.45 1wa2 s MET 87 CO 0.85 0.48 1.07 -1.25 -0.01 0.00 0.00 175.02 176.16 1wa2 s PRO 88 N -2.91 2.98 0.31 2.03 0.04 -1.26 -4.21 135.00 131.97 1wa2 s PRO 88 Ca 0.28 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 1wa2 s PRO 88 Cb -0.10 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1wa2 s PRO 88 CO 0.20 -1.08 0.49 -1.01 0.04 0.00 0.00 177.00 175.65 1wa2 s HIS 89 N -2.72 0.73 0.00 0.56 3.76 -0.78 -4.93 115.29 111.91 1wa2 s HIS 89 Ca 0.61 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 1wa2 s HIS 89 Cb -0.16 0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.61 1wa2 s HIS 89 CO 0.47 -1.11 0.00 0.27 -0.85 0.00 0.00 174.74 173.52 1wa2 n ASN 90 N -1.00 0.00 -3.75 1.40 0.23 -1.26 -0.77 115.26 110.11 1wa2 n ASN 90 Ca -0.01 -0.71 -0.12 0.00 -0.53 0.00 0.00 54.58 53.21 1wa2 n ASN 90 Cb 0.62 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.20 1wa2 n ASN 90 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1wa2 s VAL 91 N -2.70 -0.02 -0.25 3.53 0.11 -1.26 -4.26 120.40 115.54 1wa2 s VAL 91 Ca 0.00 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1wa2 s VAL 91 Cb 0.00 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1wa2 s VAL 91 CO 0.00 0.03 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.09 1wa2 s ASP 92 N 0.71 4.31 -0.36 3.54 -1.08 0.37 -1.50 116.67 122.67 1wa2 s ASP 92 Ca -0.05 -1.10 -0.16 0.00 -0.52 0.00 0.00 52.55 50.72 1wa2 s ASP 92 Cb -0.06 -1.61 -0.00 0.00 -1.46 0.00 0.00 42.92 39.79 1wa2 s ASP 92 CO -0.04 -0.16 0.42 -0.36 0.52 0.00 0.00 175.17 175.55 1wa2 s PHE 93 N 1.23 3.19 0.60 -5.34 0.08 0.02 -1.03 117.98 116.73 1wa2 s PHE 93 Ca -0.03 -0.02 0.39 0.00 0.12 0.00 0.00 56.93 57.39 1wa2 s PHE 93 Cb -0.18 -2.79 2.16 0.00 -0.57 0.00 0.00 43.02 41.64 1wa2 s PHE 93 CO -0.05 -0.51 2.30 0.45 -0.10 0.00 0.00 175.22 177.31 1wa2 h HIS 94 N 8.51 0.00 0.00 0.36 3.86 -1.46 -1.88 115.15 124.54 1wa2 h HIS 94 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1wa2 h HIS 94 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1wa2 h HIS 94 CO 0.69 0.01 0.00 0.41 0.86 0.00 0.00 177.93 179.90 1wa2 n GLY 95 N -1.04 -1.23 3.82 2.45 0.00 -1.26 -4.89 105.19 103.05 1wa2 n GLY 95 Ca -0.03 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1wa2 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa2 s ALA 96 N -2.57 3.60 -0.23 4.61 0.00 -0.71 -4.66 121.76 121.79 1wa2 s ALA 96 Ca 0.27 -1.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 1wa2 s ALA 96 Cb 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1wa2 s ALA 96 CO 0.43 0.33 -0.04 0.99 0.00 0.00 0.00 175.76 177.47 1wa2 s THR 97 N -2.01 3.25 0.00 0.00 2.01 -1.26 -4.73 115.64 112.90 1wa2 s THR 97 Ca 0.32 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1wa2 s THR 97 Cb -0.09 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.88 1wa2 s THR 97 CO 0.25 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 1wa2 n GLY 98 N 4.76 2.81 3.87 4.40 0.00 -1.26 -4.96 105.19 114.82 1wa2 n GLY 98 Ca -0.17 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.65 1wa2 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa2 n ALA 99 N 0.30 -1.81 -3.88 4.61 0.00 -1.26 -0.99 120.51 117.48 1wa2 n ALA 99 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 1wa2 n ALA 99 Cb 0.00 -2.39 0.01 0.00 0.00 0.00 0.00 19.45 17.07 1wa2 n ALA 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wa2 n LEU 100 N -4.40 -2.59 0.00 0.00 4.77 -1.26 -1.16 117.00 112.36 1wa2 n LEU 100 Ca -0.21 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1wa2 n LEU 100 Cb 0.64 -2.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.27 1wa2 n LEU 100 CO 0.74 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 1wa2 n GLY 101 N -1.70 0.39 0.00 -0.72 0.00 -0.16 -2.40 105.19 100.60 1wa2 n GLY 101 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1wa2 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa2 n GLY 102 N -1.80 0.76 0.30 -0.02 0.00 -0.31 -0.80 105.19 103.32 1wa2 n GLY 102 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1wa2 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa2 h ALA 103 N 0.00 1.19 0.00 4.61 0.00 -0.90 -1.53 119.26 122.63 1wa2 h ALA 103 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1wa2 h ALA 103 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wa2 h ALA 103 CO 0.00 0.03 -0.12 0.87 0.00 0.00 0.00 179.25 180.03 1wa2 h LYS 104 N 0.72 0.00 -0.14 0.00 1.57 -1.75 -2.95 116.57 114.02 1wa2 h LYS 104 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1wa2 h LYS 104 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1wa2 h LYS 104 CO -0.28 0.12 0.00 1.28 -0.57 0.00 0.00 179.45 179.99 1wa2 n LEU 105 N -3.73 2.82 -0.45 2.94 4.77 -0.61 -4.49 117.00 118.25 1wa2 n LEU 105 Ca -0.02 -1.20 0.05 0.00 -0.03 0.00 0.00 56.01 54.82 1wa2 n LEU 105 Cb 0.23 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1wa2 n LEU 105 CO 0.30 0.54 0.38 0.35 -1.33 0.00 0.00 177.39 177.63 1wa2 n THR 106 N 1.13 1.09 -1.87 -5.08 -2.24 -0.98 -4.84 114.28 101.50 1wa2 n THR 106 Ca 0.13 -1.50 -0.43 0.00 -2.27 0.00 0.00 64.05 59.98 1wa2 n THR 106 Cb 0.50 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1wa2 n THR 106 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wa2 s ASN 107 N -2.20 5.70 -0.18 3.42 0.01 -1.23 -4.16 114.94 116.30 1wa2 s ASN 107 Ca 0.22 1.45 0.01 0.00 -0.71 0.00 0.00 52.86 53.83 1wa2 s ASN 107 Cb 0.21 -2.52 0.04 0.00 0.41 0.00 0.00 41.25 39.39 1wa2 s ASN 107 CO -0.02 -1.84 -0.10 0.68 -1.51 0.00 0.00 177.10 174.31 1wa2 s VAL 108 N 7.54 1.54 0.73 1.60 -7.23 0.05 -4.99 120.40 119.65 1wa2 s VAL 108 Ca 0.86 -0.88 -0.11 0.00 -1.81 0.00 0.00 61.98 60.05 1wa2 s VAL 108 Cb -0.25 -1.60 0.03 0.00 0.56 0.00 0.00 36.38 35.12 1wa2 s VAL 108 CO 0.33 0.22 1.07 0.20 -0.31 0.00 0.00 175.10 176.61 1wa2 s ASN 109 N 1.45 5.00 0.25 4.85 0.01 -1.26 -1.87 114.94 123.37 1wa2 s ASN 109 Ca 0.00 1.57 -0.31 0.00 -0.71 0.00 0.00 52.86 53.42 1wa2 s ASN 109 Cb -0.15 -2.39 -0.13 0.00 0.41 0.00 0.00 41.25 38.98 1wa2 s ASN 109 CO -0.09 -1.68 1.37 -2.65 -1.51 0.00 0.00 177.10 172.55 1wa2 n PRO 110 N -3.28 1.99 -0.82 -0.60 -0.02 -1.26 -1.13 135.00 129.88 1wa2 n PRO 110 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1wa2 n PRO 110 Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1wa2 n PRO 110 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wa2 n GLY 111 N 1.97 0.84 3.68 -1.23 0.00 0.20 -4.65 105.19 106.00 1wa2 n GLY 111 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1wa2 n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wa2 s GLU 112 N -0.18 2.19 0.15 1.61 2.02 -0.28 -4.85 118.70 119.35 1wa2 s GLU 112 Ca 0.00 -1.70 -0.10 0.00 0.02 0.00 0.00 54.97 53.18 1wa2 s GLU 112 Cb 0.00 -2.01 -0.00 0.00 0.10 0.00 0.00 34.13 32.22 1wa2 s GLU 112 CO 0.00 0.09 0.31 1.14 0.02 0.00 0.00 175.26 176.82 1wa2 s GLN 113 N -3.78 1.13 0.14 1.61 -2.07 -1.26 -1.19 119.66 114.24 1wa2 s GLN 113 Ca 0.36 -1.08 -0.13 0.00 -1.82 0.00 0.00 55.36 52.69 1wa2 s GLN 113 Cb -0.00 0.39 0.02 0.00 -1.09 0.00 0.00 33.01 32.33 1wa2 s GLN 113 CO 0.21 -0.42 0.36 0.00 -1.32 0.00 0.00 175.29 174.11 1wa2 s ALA 114 N -3.93 -0.60 -0.12 2.60 0.00 -0.89 -5.00 121.76 113.82 1wa2 s ALA 114 Ca 0.14 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1wa2 s ALA 114 Cb 0.03 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.88 1wa2 s ALA 114 CO -0.03 -0.65 -0.11 0.99 0.00 0.00 0.00 175.76 175.97 1wa2 s THR 115 N -3.86 1.24 -0.05 0.00 2.01 -1.26 -0.21 115.64 113.51 1wa2 s THR 115 Ca 0.07 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.66 1wa2 s THR 115 Cb 0.02 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1wa2 s THR 115 CO -0.08 0.40 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.94 1wa2 s LEU 116 N 1.50 3.05 -0.04 4.42 2.96 0.04 -4.96 118.68 125.65 1wa2 s LEU 116 Ca 0.02 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 1wa2 s LEU 116 Cb -0.13 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 1wa2 s LEU 116 CO -0.07 0.34 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.50 1wa2 s ARG 117 N -0.91 1.95 0.06 1.98 3.52 -1.26 -0.44 118.95 123.85 1wa2 s ARG 117 Ca 0.13 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 54.96 1wa2 s ARG 117 Cb -0.11 -1.73 -0.02 0.00 -1.56 0.00 0.00 34.95 31.54 1wa2 s ARG 117 CO 0.02 0.33 0.08 -0.59 -0.81 0.00 0.00 175.30 174.34 1wa2 s PHE 118 N -0.16 0.29 -0.18 5.12 -0.12 -0.26 -4.99 117.98 117.68 1wa2 s PHE 118 Ca -0.01 -0.71 -0.21 0.00 -0.05 0.00 0.00 56.93 55.95 1wa2 s PHE 118 Cb -0.11 -0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.05 1wa2 s PHE 118 CO 0.02 -0.42 0.64 0.21 -0.05 0.00 0.00 175.22 175.61 1wa2 s LYS 119 N -3.39 4.25 -1.27 1.99 2.20 -1.26 -0.51 119.74 121.74 1wa2 s LYS 119 Ca 0.02 0.65 -0.13 0.00 -0.36 0.00 0.00 55.97 56.15 1wa2 s LYS 119 Cb 0.03 -3.56 0.14 0.00 -1.51 0.00 0.00 37.83 32.94 1wa2 s LYS 119 CO -0.08 -0.19 1.70 0.00 -0.36 0.00 0.00 175.35 176.42 1wa2 n ALA 120 N 4.85 4.44 1.23 3.13 0.00 -0.03 -4.73 120.51 129.41 1wa2 n ALA 120 Ca -0.01 -4.17 0.09 0.00 0.00 0.00 0.00 53.44 49.35 1wa2 n ALA 120 Cb 0.50 -3.17 0.33 0.00 0.00 0.00 0.00 19.45 17.11 1wa2 n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wa2 n ASP 121 N 5.59 1.53 -3.86 0.00 5.75 -1.26 -1.55 116.55 122.76 1wa2 n ASP 121 Ca 0.41 -1.76 -0.18 0.00 -0.01 0.00 0.00 54.79 53.25 1wa2 n ASP 121 Cb 0.41 -0.12 -0.16 0.00 -1.03 0.00 0.00 41.12 40.21 1wa2 n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1wa2 s ARG 122 N -1.75 0.58 0.37 0.11 0.52 -1.26 -4.81 118.95 112.71 1wa2 s ARG 122 Ca 0.29 -0.02 -0.21 0.00 -0.52 0.00 0.00 55.73 55.27 1wa2 s ARG 122 Cb 0.15 -0.67 -0.10 0.00 0.52 0.00 0.00 34.95 34.85 1wa2 s ARG 122 CO 0.23 -0.10 0.89 -1.54 0.02 0.00 0.00 175.30 174.79 1wa2 s SER 123 N 0.95 6.99 0.00 0.23 1.04 -1.26 -4.75 113.70 116.90 1wa2 s SER 123 Ca -0.11 1.62 0.00 0.00 0.48 0.00 0.00 55.95 57.94 1wa2 s SER 123 Cb -0.14 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1wa2 s SER 123 CO -0.01 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1wa2 n GLY 124 N -0.26 2.09 3.71 7.32 0.00 0.55 -3.04 105.19 115.56 1wa2 n GLY 124 Ca 0.05 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 1wa2 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wa2 s THR 125 N -1.66 5.09 -0.02 2.61 -4.23 0.58 -0.01 115.64 118.00 1wa2 s THR 125 Ca 0.00 1.25 0.05 0.00 -1.18 0.00 0.00 61.69 61.81 1wa2 s THR 125 Cb 0.00 -3.96 -0.01 0.00 1.34 0.00 0.00 72.50 69.88 1wa2 s THR 125 CO 0.00 0.26 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.81 1wa2 s PHE 126 N 0.90 1.55 0.38 3.99 0.40 0.78 -4.33 117.98 121.65 1wa2 s PHE 126 Ca 0.33 -0.35 -0.27 0.00 -0.60 0.00 0.00 56.93 56.04 1wa2 s PHE 126 Cb -0.17 -1.01 -0.09 0.00 0.51 0.00 0.00 43.02 42.26 1wa2 s PHE 126 CO 0.14 -0.07 1.32 0.08 0.70 0.00 0.00 175.22 177.40 1wa2 s VAL 127 N -0.23 2.58 0.08 -0.44 1.01 -1.26 -0.31 120.40 121.82 1wa2 s VAL 127 Ca 0.03 0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.64 1wa2 s VAL 127 Cb -0.08 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1wa2 s VAL 127 CO 0.00 0.10 -0.21 -0.72 0.00 0.00 0.00 175.10 174.27 1wa2 s TYR 128 N -1.21 2.46 0.17 5.22 -0.85 0.10 -1.20 117.35 122.03 1wa2 s TYR 128 Ca 0.54 -0.31 -0.23 0.00 -0.52 0.00 0.00 57.07 56.55 1wa2 s TYR 128 Cb -0.39 -1.37 0.07 0.00 0.38 0.00 0.00 41.96 40.64 1wa2 s TYR 128 CO 0.52 0.28 0.61 -3.38 -1.52 0.00 0.00 175.55 172.06 1wa2 s HIS 129 N -0.99 -0.50 0.41 -3.49 -3.43 -0.20 -1.43 115.29 105.66 1wa2 s HIS 129 Ca 0.15 0.27 -0.23 0.00 -0.80 0.00 0.00 55.06 54.44 1wa2 s HIS 129 Cb -0.10 0.57 -0.09 0.00 -1.43 0.00 0.00 32.58 31.53 1wa2 s HIS 129 CO 0.06 -0.88 1.03 0.00 -2.00 0.00 0.00 174.74 172.95 1wa2 n ALA 131 N -0.18 0.16 -2.14 0.00 0.00 -1.26 -4.46 120.51 112.64 1wa2 n ALA 131 Ca 0.05 -2.16 -0.41 0.00 0.00 0.00 0.00 53.44 50.93 1wa2 n ALA 131 Cb 0.50 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 1wa2 n ALA 131 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1wa2 s PRO 132 N -0.53 4.49 0.17 0.00 0.02 -1.26 -4.87 135.00 133.02 1wa2 s PRO 132 Ca 0.30 1.83 -0.33 0.00 0.02 0.00 0.00 61.00 62.82 1wa2 s PRO 132 Cb 0.29 -3.27 -0.14 0.00 0.02 0.00 0.00 34.50 31.39 1wa2 s PRO 132 CO -0.10 -0.11 1.44 -1.91 -0.33 0.00 0.00 177.00 176.00 1wa2 n GLU 133 N 2.84 1.84 0.00 5.54 2.13 -1.26 -1.64 120.64 130.09 1wa2 n GLU 133 Ca 0.05 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.53 1wa2 n GLU 133 Cb 0.45 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1wa2 n GLU 133 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wa2 n GLY 134 N 2.73 2.85 1.50 8.31 0.00 -1.26 -4.80 105.19 114.53 1wa2 n GLY 134 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1wa2 n GLY 134 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wa2 n MET 135 N -2.00 0.94 0.22 1.61 2.81 -0.65 -4.95 117.12 115.09 1wa2 n MET 135 Ca 0.00 -2.72 -0.14 0.00 -1.81 0.00 0.00 57.70 53.02 1wa2 n MET 135 Cb 0.00 -0.83 -0.08 0.00 -0.71 0.00 0.00 33.22 31.60 1wa2 n MET 135 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1wa2 h VAL 136 N 4.88 0.57 -1.00 2.03 2.07 -1.83 -2.74 116.25 120.23 1wa2 h VAL 136 Ca -0.11 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.07 1wa2 h VAL 136 Cb 1.55 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1wa2 h VAL 136 CO 0.13 0.07 0.65 -0.65 0.02 0.00 0.00 177.57 177.79 1wa2 h PRO 137 N -0.78 1.20 -0.42 1.57 0.11 -1.92 -2.21 132.00 129.55 1wa2 h PRO 137 Ca -0.06 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1wa2 h PRO 137 Cb 0.53 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1wa2 h PRO 137 CO 0.09 0.79 0.25 2.35 -0.21 0.00 0.00 178.00 181.28 1wa2 h TRP 138 N 1.23 0.55 -0.66 0.65 7.01 -1.94 0.14 115.95 122.92 1wa2 h TRP 138 Ca 0.41 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.35 1wa2 h TRP 138 Cb 0.05 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1wa2 h TRP 138 CO -0.00 0.38 0.17 0.45 -2.79 0.00 0.00 178.44 176.65 1wa2 h HIS 139 N 0.55 1.10 0.38 2.65 3.86 -1.15 -1.38 115.15 121.16 1wa2 h HIS 139 Ca 0.15 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1wa2 h HIS 139 Cb -0.01 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.15 1wa2 h HIS 139 CO -0.03 0.90 -0.18 0.28 0.86 0.00 0.00 177.93 179.75 1wa2 h VAL 140 N 0.98 0.62 0.00 2.45 2.07 -1.12 -2.37 116.25 118.88 1wa2 h VAL 140 Ca 0.21 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1wa2 h VAL 140 Cb 0.35 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1wa2 h VAL 140 CO -0.00 0.06 -0.12 -0.37 0.02 0.00 0.00 177.57 177.16 1wa2 h VAL 141 N -0.71 0.34 0.00 2.57 -1.51 -0.97 -1.74 116.25 114.24 1wa2 h VAL 141 Ca -0.05 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1wa2 h VAL 141 Cb 0.50 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1wa2 h VAL 141 CO 0.09 0.12 0.00 -1.20 -1.23 0.00 0.00 177.57 175.34 1wa2 n SER 142 N -3.32 0.00 0.00 4.19 7.64 -0.52 -4.74 113.62 116.86 1wa2 n SER 142 Ca -0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1wa2 n SER 142 Cb 0.34 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1wa2 n SER 142 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wa2 n GLY 143 N 0.71 0.30 3.03 0.23 0.00 -0.66 -1.53 105.19 107.27 1wa2 n GLY 143 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1wa2 n GLY 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wa2 n MET 144 N 0.00 3.38 -3.62 1.61 2.81 -0.90 -4.54 117.12 115.86 1wa2 n MET 144 Ca 0.00 -3.39 -0.11 0.00 -1.81 0.00 0.00 57.70 52.39 1wa2 n MET 144 Cb 0.00 -3.07 -0.04 0.00 -0.71 0.00 0.00 33.22 29.40 1wa2 n MET 144 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1wa2 s SER 145 N 2.02 -0.28 0.00 7.83 1.04 -1.26 -1.85 113.70 121.20 1wa2 s SER 145 Ca 0.43 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1wa2 s SER 145 Cb 0.07 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1wa2 s SER 145 CO -0.01 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1wa2 n GLY 146 N -0.26 1.91 3.23 7.32 0.00 -0.51 -0.48 105.19 116.41 1wa2 n GLY 146 Ca -0.15 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 1wa2 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wa2 s THR 147 N -2.57 1.85 -0.31 2.61 2.01 -1.26 -0.72 115.64 117.25 1wa2 s THR 147 Ca 0.00 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 1wa2 s THR 147 Cb 0.00 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 1wa2 s THR 147 CO 0.00 0.52 0.19 -0.22 -0.69 0.00 0.00 174.62 174.42 1wa2 s LEU 148 N -0.16 4.19 -0.26 4.42 2.96 0.58 -1.49 118.68 128.92 1wa2 s LEU 148 Ca -0.02 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.49 1wa2 s LEU 148 Cb -0.12 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 1wa2 s LEU 148 CO 0.03 -0.15 0.17 -0.32 -1.32 0.00 0.00 176.35 174.76 1wa2 s MET 149 N 1.70 4.01 -0.41 1.98 -2.45 0.81 -0.15 119.30 124.80 1wa2 s MET 149 Ca 0.06 -0.29 -0.05 0.00 -1.25 0.00 0.00 55.69 54.16 1wa2 s MET 149 Cb -0.17 -3.59 0.10 0.00 1.25 0.00 0.00 34.83 32.42 1wa2 s MET 149 CO 0.09 -0.05 0.21 0.08 1.05 0.00 0.00 175.02 176.40 1wa2 s VAL 150 N 1.38 3.58 0.30 10.11 1.01 0.99 -1.50 120.40 136.27 1wa2 s VAL 150 Ca 0.07 -1.79 -0.24 0.00 0.00 0.00 0.00 61.98 60.02 1wa2 s VAL 150 Cb -0.15 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 1wa2 s VAL 150 CO 0.07 -0.59 0.89 -0.76 0.00 0.00 0.00 175.10 174.72 1wa2 s LEU 151 N 1.25 4.33 0.53 3.92 1.43 -0.47 -0.33 118.68 129.33 1wa2 s LEU 151 Ca 0.05 1.73 -0.22 0.00 -1.03 0.00 0.00 54.13 54.66 1wa2 s LEU 151 Cb -0.23 -3.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 1wa2 s LEU 151 CO -0.02 -0.06 1.35 -2.84 0.23 0.00 0.00 176.35 175.01 1wa2 s PRO 152 N -2.08 3.26 0.47 1.29 0.02 -1.26 -0.53 135.00 136.18 1wa2 s PRO 152 Ca 0.49 2.21 0.12 0.00 0.02 0.00 0.00 61.00 63.84 1wa2 s PRO 152 Cb -0.18 -2.32 1.10 0.00 0.02 0.00 0.00 34.50 33.12 1wa2 s PRO 152 CO 0.23 -1.08 2.11 -0.09 -0.33 0.00 0.00 177.00 177.83 1wa2 h ARG 153 N 1.62 0.21 -0.75 5.54 2.43 -1.90 -0.69 114.38 120.84 1wa2 h ARG 153 Ca -0.51 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.44 1wa2 h ARG 153 Cb 1.29 -0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 30.67 1wa2 h ARG 153 CO 0.58 0.15 0.27 -3.47 -1.51 0.00 0.00 179.97 175.98 1wa2 n ASP 154 N -4.50 4.95 -0.28 -3.80 2.03 -1.26 -1.38 116.55 112.30 1wa2 n ASP 154 Ca -0.01 -3.21 0.04 0.00 0.52 0.00 0.00 54.79 52.13 1wa2 n ASP 154 Cb 0.09 -0.75 -0.01 0.00 -0.72 0.00 0.00 41.12 39.72 1wa2 n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wa2 n GLY 155 N -0.10 -1.65 3.76 0.27 0.00 -0.27 -4.62 105.19 102.59 1wa2 n GLY 155 Ca 0.41 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 1wa2 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wa2 s LEU 156 N -3.90 3.58 0.02 0.99 1.43 -1.25 -4.57 118.68 114.97 1wa2 s LEU 156 Ca 0.00 2.19 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 1wa2 s LEU 156 Cb 0.00 -4.58 -0.02 0.00 0.03 0.00 0.00 46.19 41.63 1wa2 s LEU 156 CO 0.00 -1.54 -0.04 -0.54 0.23 0.00 0.00 176.35 174.46 1wa2 s LYS 157 N -3.60 0.34 0.78 1.70 -0.14 -1.26 -1.55 119.74 116.01 1wa2 s LYS 157 Ca 0.72 -0.50 -0.07 0.00 -1.36 0.00 0.00 55.97 54.77 1wa2 s LYS 157 Cb -0.25 -0.10 0.13 0.00 -1.68 0.00 0.00 37.83 35.92 1wa2 s LYS 157 CO 0.34 0.01 1.09 0.16 -0.76 0.00 0.00 175.35 176.20 1wa2 s ASP 158 N -1.07 4.16 0.61 2.83 -4.77 -0.03 -4.64 116.67 113.75 1wa2 s ASP 158 Ca -0.09 0.08 0.31 0.00 -3.30 0.00 0.00 52.55 49.54 1wa2 s ASP 158 Cb -0.07 -0.46 1.75 0.00 -1.09 0.00 0.00 42.92 43.05 1wa2 s ASP 158 CO -0.00 -2.02 2.11 -0.65 0.70 0.00 0.00 175.17 175.32 1wa2 h PRO 159 N -0.86 0.00 -0.48 2.11 0.11 -1.89 -0.63 132.00 130.36 1wa2 h PRO 159 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1wa2 h PRO 159 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wa2 h PRO 159 CO 0.46 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.29 1wa2 n GLN 160 N -3.63 2.42 -0.82 1.05 3.00 -1.26 -4.95 117.38 113.20 1wa2 n GLN 160 Ca 0.01 -2.18 0.00 0.00 -0.01 0.00 0.00 57.00 54.82 1wa2 n GLN 160 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.04 1wa2 n GLN 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wa2 n GLY 161 N 1.48 0.59 3.83 1.08 0.00 -0.24 -5.04 105.19 106.89 1wa2 n GLY 161 Ca 0.20 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1wa2 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa2 s LYS 162 N -0.23 4.11 0.31 1.61 1.02 -1.26 -4.76 119.74 120.55 1wa2 s LYS 162 Ca 0.00 0.90 -0.29 0.00 0.02 0.00 0.00 55.97 56.60 1wa2 s LYS 162 Cb 0.00 -2.30 -0.10 0.00 -0.52 0.00 0.00 37.83 34.91 1wa2 s LYS 162 CO 0.00 0.05 1.39 -1.25 -0.92 0.00 0.00 175.35 174.62 1wa2 s PRO 163 N -3.12 4.27 0.16 -1.68 0.04 -1.26 -0.85 135.00 132.56 1wa2 s PRO 163 Ca 0.58 2.32 0.09 0.00 0.04 0.00 0.00 61.00 64.04 1wa2 s PRO 163 Cb -0.10 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1wa2 s PRO 163 CO 0.16 -0.34 -0.21 -0.51 0.04 0.00 0.00 177.00 176.14 1wa2 s LEU 164 N -1.37 2.40 0.12 -3.56 1.43 -0.59 -4.77 118.68 112.34 1wa2 s LEU 164 Ca 0.53 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1wa2 s LEU 164 Cb -0.42 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1wa2 s LEU 164 CO 0.52 0.04 0.31 -1.38 0.23 0.00 0.00 176.35 176.07 1wa2 s HIS 165 N -1.72 0.06 0.10 0.29 -3.43 -1.26 -3.90 115.29 105.42 1wa2 s HIS 165 Ca 0.15 -0.43 0.10 0.00 -0.80 0.00 0.00 55.06 54.08 1wa2 s HIS 165 Cb -0.07 0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 31.13 1wa2 s HIS 165 CO 0.07 -0.66 -0.25 1.52 -2.00 0.00 0.00 174.74 173.42 1wa2 s TYR 166 N -3.86 2.35 -0.15 0.38 1.13 -1.26 -4.89 117.35 111.05 1wa2 s TYR 166 Ca 0.07 -0.37 0.21 0.00 -1.41 0.00 0.00 57.07 55.57 1wa2 s TYR 166 Cb 0.03 -1.32 -0.14 0.00 -1.10 0.00 0.00 41.96 39.43 1wa2 s TYR 166 CO -0.09 0.27 0.77 -0.25 -2.51 0.00 0.00 175.55 173.74 1wa2 n ASP 167 N 1.21 0.55 -3.73 -0.18 8.00 0.81 -4.94 116.55 118.28 1wa2 n ASP 167 Ca -0.17 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.42 1wa2 n ASP 167 Cb 0.53 0.87 -0.10 0.00 -0.02 0.00 0.00 41.12 42.40 1wa2 n ASP 167 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wa2 s ARG 168 N -3.25 0.55 -0.07 -1.24 3.52 -0.99 -4.99 118.95 112.47 1wa2 s ARG 168 Ca -0.04 0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.98 1wa2 s ARG 168 Cb 0.10 0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 33.74 1wa2 s ARG 168 CO 0.83 -0.10 -0.21 0.00 -0.81 0.00 0.00 175.30 175.01 1wa2 s ALA 169 N -0.21 2.33 0.05 6.12 0.00 -1.26 -0.63 121.76 128.16 1wa2 s ALA 169 Ca -0.04 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.00 1wa2 s ALA 169 Cb -0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1wa2 s ALA 169 CO 0.02 0.41 -0.24 0.71 0.00 0.00 0.00 175.76 176.67 1wa2 s TYR 170 N -0.18 2.06 -0.13 0.00 2.02 0.34 -4.05 117.35 117.41 1wa2 s TYR 170 Ca -0.02 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 1wa2 s TYR 170 Cb -0.14 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 40.19 1wa2 s TYR 170 CO 0.04 0.11 -0.17 -0.08 -1.57 0.00 0.00 175.55 173.88 1wa2 s THR 171 N -0.81 2.62 -0.14 -0.71 -1.32 0.35 -1.20 115.64 114.44 1wa2 s THR 171 Ca 0.10 -0.81 0.01 0.00 -1.21 0.00 0.00 61.69 59.78 1wa2 s THR 171 Cb -0.09 -2.07 0.02 0.00 -1.51 0.00 0.00 72.50 68.84 1wa2 s THR 171 CO 0.02 0.53 -0.14 -0.63 -2.21 0.00 0.00 174.62 172.19 1wa2 s ILE 172 N 0.52 1.55 -0.13 5.08 1.09 0.64 -4.40 121.20 125.55 1wa2 s ILE 172 Ca -0.11 -0.63 -0.04 0.00 -1.10 0.00 0.00 60.65 58.77 1wa2 s ILE 172 Cb -0.16 -1.44 -0.03 0.00 -1.06 0.00 0.00 42.46 39.76 1wa2 s ILE 172 CO 0.04 0.45 -0.01 -0.83 -0.10 0.00 0.00 174.94 174.50 1wa2 s GLY 173 N 1.34 1.80 -0.17 6.18 0.00 -1.26 -0.99 107.32 114.22 1wa2 s GLY 173 Ca 0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 44.72 43.91 1wa2 s GLY 173 CO -0.08 -0.25 -0.08 1.85 0.00 0.00 0.00 173.10 174.54 1wa2 s GLU 174 N -0.14 3.42 -0.23 2.90 2.12 -0.26 -0.48 118.70 126.02 1wa2 s GLU 174 Ca 0.04 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 54.76 1wa2 s GLU 174 Cb -0.13 -2.84 0.05 0.00 0.26 0.00 0.00 34.13 31.47 1wa2 s GLU 174 CO 0.02 0.03 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.57 1wa2 s PHE 175 N 0.86 3.08 -0.33 5.30 0.08 0.60 -4.53 117.98 123.04 1wa2 s PHE 175 Ca -0.02 -2.08 -0.28 0.00 0.12 0.00 0.00 56.93 54.67 1wa2 s PHE 175 Cb -0.15 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 1wa2 s PHE 175 CO 0.01 -0.85 1.05 0.16 -0.10 0.00 0.00 175.22 175.48 1wa2 s ASP 176 N 1.17 6.88 0.10 1.36 -4.77 -1.26 -0.99 116.67 119.16 1wa2 s ASP 176 Ca -0.04 0.96 0.04 0.00 -3.30 0.00 0.00 52.55 50.21 1wa2 s ASP 176 Cb -0.17 -2.53 -0.04 0.00 -1.09 0.00 0.00 42.92 39.09 1wa2 s ASP 176 CO -0.08 -0.88 0.04 -0.76 0.70 0.00 0.00 175.17 174.19 1wa2 s LEU 177 N 3.63 3.60 -0.50 2.11 1.43 0.29 -4.85 118.68 124.40 1wa2 s LEU 177 Ca 0.44 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1wa2 s LEU 177 Cb -0.12 -2.29 0.25 0.00 0.03 0.00 0.00 46.19 44.05 1wa2 s LEU 177 CO 0.16 0.16 0.61 -1.22 0.23 0.00 0.00 176.35 176.29 1wa2 n TYR 178 N 0.38 1.39 -2.84 0.29 4.01 -1.26 -0.77 117.16 118.36 1wa2 n TYR 178 Ca -0.10 -3.82 -0.42 0.00 -0.16 0.00 0.00 57.90 53.40 1wa2 n TYR 178 Cb 0.52 -0.43 -0.04 0.00 -0.31 0.00 0.00 39.34 39.09 1wa2 n TYR 178 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wa2 s ILE 179 N -1.71 4.80 0.74 -0.72 -1.09 -1.26 -4.71 121.20 117.24 1wa2 s ILE 179 Ca 0.37 1.67 -0.13 0.00 -2.23 0.00 0.00 60.65 60.33 1wa2 s ILE 179 Cb 0.15 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1wa2 s ILE 179 CO -0.07 -0.10 1.13 -2.84 -1.23 0.00 0.00 174.94 171.83 1wa2 s PRO 180 N 2.93 2.29 0.17 2.79 0.02 -1.26 -4.85 135.00 137.09 1wa2 s PRO 180 Ca 0.37 1.43 0.11 0.00 0.02 0.00 0.00 61.00 62.93 1wa2 s PRO 180 Cb -0.15 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 1wa2 s PRO 180 CO 0.07 -1.65 -0.23 0.15 -0.33 0.00 0.00 177.00 175.01 1wa2 s LYS 181 N -4.34 1.57 0.41 5.54 1.02 -1.26 -0.81 119.74 121.87 1wa2 s LYS 181 Ca 0.67 -1.44 0.02 0.00 0.02 0.00 0.00 55.97 55.24 1wa2 s LYS 181 Cb -0.22 -1.91 0.08 0.00 -0.52 0.00 0.00 37.83 35.26 1wa2 s LYS 181 CO 0.48 0.42 0.56 0.41 -0.92 0.00 0.00 175.35 176.30 1wa2 n GLY 182 N 0.40 1.12 0.31 -3.33 0.00 -0.49 -4.85 105.19 98.35 1wa2 n GLY 182 Ca -0.14 -2.06 0.15 0.00 0.00 0.00 0.00 46.02 43.97 1wa2 n GLY 182 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wa2 h PRO 183 N 0.00 0.00 -0.00 1.61 0.11 -2.02 -1.77 132.00 129.93 1wa2 h PRO 183 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1wa2 h PRO 183 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1wa2 h PRO 183 CO 0.22 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.61 1wa2 n ASP 184 N -4.00 0.03 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.12 1wa2 n ASP 184 Ca -0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 1wa2 n ASP 184 Cb 0.21 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1wa2 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wa2 n GLY 185 N 0.95 0.52 3.89 6.12 0.00 -0.66 -5.03 105.19 110.97 1wa2 n GLY 185 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1wa2 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa2 s LYS 186 N -0.30 3.70 0.34 1.61 3.01 -1.26 -4.85 119.74 121.99 1wa2 s LYS 186 Ca 0.00 0.09 -0.29 0.00 -1.01 0.00 0.00 55.97 54.76 1wa2 s LYS 186 Cb 0.00 -2.73 -0.10 0.00 -1.01 0.00 0.00 37.83 33.98 1wa2 s LYS 186 CO 0.00 0.37 1.37 0.71 0.51 0.00 0.00 175.35 178.31 1wa2 s TYR 187 N -1.78 2.91 0.33 3.18 2.02 -1.26 -1.40 117.35 121.35 1wa2 s TYR 187 Ca 0.44 1.30 -0.26 0.00 -0.37 0.00 0.00 57.07 58.19 1wa2 s TYR 187 Cb -0.12 -3.80 -0.10 0.00 -0.40 0.00 0.00 41.96 37.55 1wa2 s TYR 187 CO 0.24 -2.27 0.97 0.15 -1.57 0.00 0.00 175.55 173.06 1wa2 s LYS 188 N -1.74 4.52 -0.19 -0.62 1.02 0.01 -4.84 119.74 117.92 1wa2 s LYS 188 Ca 0.51 1.40 -0.01 0.00 0.02 0.00 0.00 55.97 57.89 1wa2 s LYS 188 Cb -0.42 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 1wa2 s LYS 188 CO 0.55 0.21 -0.14 0.34 -0.92 0.00 0.00 175.35 175.39 1wa2 s ASP 189 N -1.54 3.61 -0.10 2.83 -1.08 -1.26 -4.76 116.67 114.37 1wa2 s ASP 189 Ca 0.51 -0.53 -0.03 0.00 -0.52 0.00 0.00 52.55 51.98 1wa2 s ASP 189 Cb -0.20 -1.58 -0.03 0.00 -1.46 0.00 0.00 42.92 39.64 1wa2 s ASP 189 CO 0.26 0.02 0.03 -0.31 0.52 0.00 0.00 175.17 175.68 1wa2 s TYR 190 N 1.22 3.25 0.24 -5.34 2.02 -1.26 -5.01 117.35 112.47 1wa2 s TYR 190 Ca 0.03 0.24 0.07 0.00 -0.37 0.00 0.00 57.07 57.04 1wa2 s TYR 190 Cb -0.14 -1.84 0.26 0.00 -0.40 0.00 0.00 41.96 39.84 1wa2 s TYR 190 CO -0.07 0.49 1.56 0.00 -1.57 0.00 0.00 175.55 175.96 1wa2 h ALA 191 N 5.24 0.86 -2.24 3.71 0.00 -1.99 -3.45 119.26 121.39 1wa2 h ALA 191 Ca -0.50 -0.58 -0.28 0.00 0.00 0.00 0.00 54.91 53.54 1wa2 h ALA 191 Cb 1.20 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1wa2 h ALA 191 CO 0.56 0.79 -0.70 0.95 0.00 0.00 0.00 179.25 180.85 1wa2 s THR 192 N -3.60 0.91 0.14 0.00 -4.23 -1.26 -5.06 115.64 102.54 1wa2 s THR 192 Ca -0.02 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.30 1wa2 s THR 192 Cb 0.12 -1.83 0.01 0.00 1.34 0.00 0.00 72.50 72.14 1wa2 s THR 192 CO 0.79 -0.76 1.71 0.25 -0.54 0.00 0.00 174.62 176.06 1wa2 h LEU 193 N 2.84 -0.16 -0.91 4.79 5.85 -1.94 -2.96 115.31 122.82 1wa2 h LEU 193 Ca -0.36 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.51 1wa2 h LEU 193 Cb 1.18 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.27 1wa2 h LEU 193 CO 0.64 -0.05 0.57 0.00 -0.34 0.00 0.00 178.44 179.26 1wa2 h ALA 194 N 1.25 1.30 0.00 1.25 0.00 -1.99 -2.04 119.26 119.03 1wa2 h ALA 194 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wa2 h ALA 194 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1wa2 h ALA 194 CO -0.24 0.26 -0.17 0.93 0.00 0.00 0.00 179.25 180.03 1wa2 h GLU 195 N 0.98 0.00 0.00 0.00 5.08 -1.95 -2.79 114.58 115.90 1wa2 h GLU 195 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1wa2 h GLU 195 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1wa2 h GLU 195 CO -0.21 0.17 0.00 0.66 -1.00 0.00 0.00 179.01 178.63 1wa2 h SER 196 N 0.00 0.00 0.75 1.42 4.64 -1.33 -3.41 113.55 115.62 1wa2 h SER 196 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1wa2 h SER 196 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1wa2 h SER 196 CO 0.02 0.00 -0.44 0.22 -0.87 0.00 0.00 176.83 175.77 1wa2 h TYR 197 N 0.00 -1.15 -0.82 4.77 3.20 -1.55 -2.15 116.97 119.27 1wa2 h TYR 197 Ca 0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1wa2 h TYR 197 Cb 0.63 0.41 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 1wa2 h TYR 197 CO 0.00 -0.66 0.51 0.78 -1.64 0.00 0.00 178.16 177.15 1wa2 h GLY 198 N -1.10 1.18 1.35 1.82 0.00 -1.80 -1.19 103.07 103.33 1wa2 h GLY 198 Ca -0.10 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 1wa2 h GLY 198 CO 0.12 0.47 -0.16 -0.55 0.00 0.00 0.00 176.54 176.41 1wa2 h ASP 199 N 1.12 0.76 -0.43 0.19 3.32 -1.83 -2.93 116.42 116.63 1wa2 h ASP 199 Ca 0.30 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 1wa2 h ASP 199 Cb -0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1wa2 h ASP 199 CO -0.06 0.93 -0.24 0.74 -1.72 0.00 0.00 179.24 178.89 1wa2 h THR 200 N 0.68 1.27 -0.80 0.35 2.02 -0.67 -2.65 112.91 113.12 1wa2 h THR 200 Ca 0.11 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1wa2 h THR 200 Cb 0.65 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 1wa2 h THR 200 CO 0.05 0.48 0.46 0.58 0.37 0.00 0.00 175.52 177.45 1wa2 h VAL 201 N 0.75 1.23 -0.68 3.16 2.07 -1.20 0.14 116.25 121.72 1wa2 h VAL 201 Ca 0.09 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1wa2 h VAL 201 Cb 0.82 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1wa2 h VAL 201 CO 0.07 0.25 0.35 -0.61 0.02 0.00 0.00 177.57 177.65 1wa2 h GLN 202 N 1.10 0.96 -0.33 1.57 5.75 -1.31 -1.49 115.11 121.35 1wa2 h GLN 202 Ca 0.28 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.61 1wa2 h GLN 202 Cb -0.01 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 1wa2 h GLN 202 CO -0.05 0.74 -0.00 0.28 -2.65 0.00 0.00 178.83 177.15 1wa2 h VAL 203 N 0.93 1.26 -0.81 2.39 2.07 -0.97 -3.05 116.25 118.07 1wa2 h VAL 203 Ca 0.24 -0.96 0.16 0.00 0.82 0.00 0.00 66.70 66.95 1wa2 h VAL 203 Cb 0.07 1.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 1wa2 h VAL 203 CO -0.03 0.32 0.35 0.24 0.02 0.00 0.00 177.57 178.46 1wa2 h MET 204 N 0.39 0.46 0.00 1.57 2.86 -0.43 -1.57 114.93 118.21 1wa2 h MET 204 Ca 0.09 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1wa2 h MET 204 Cb 0.45 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1wa2 h MET 204 CO 0.02 0.31 0.00 0.00 1.06 0.00 0.00 176.91 178.29 1wa2 h ARG 205 N 0.48 0.00 0.00 1.72 3.08 -1.17 -0.24 114.38 118.25 1wa2 h ARG 205 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 1wa2 h ARG 205 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1wa2 h ARG 205 CO -0.42 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.27 1wa2 h THR 206 N 0.00 0.00 -0.35 2.04 1.35 -1.32 -3.47 112.91 111.17 1wa2 h THR 206 Ca 0.00 -0.47 -0.15 0.00 -0.55 0.00 0.00 66.41 65.24 1wa2 h THR 206 Cb 0.40 1.37 -0.06 0.00 -1.73 0.00 0.00 68.15 68.13 1wa2 h THR 206 CO 0.00 0.00 -0.14 0.18 -0.25 0.00 0.00 175.52 175.31 1wa2 n LEU 207 N -2.69 -0.19 -4.21 3.87 4.77 -0.10 -4.98 117.00 113.48 1wa2 n LEU 207 Ca 0.02 0.18 -0.36 0.00 -0.03 0.00 0.00 56.01 55.82 1wa2 n LEU 207 Cb 0.32 -2.01 -0.13 0.00 -2.33 0.00 0.00 43.42 39.28 1wa2 n LEU 207 CO 0.26 -0.72 -0.30 -0.89 -1.33 0.00 0.00 177.39 174.41 1wa2 s THR 208 N -1.93 3.34 0.44 -5.08 2.01 -1.26 -5.09 115.64 108.06 1wa2 s THR 208 Ca 0.00 -1.35 -0.25 0.00 0.31 0.00 0.00 61.69 60.40 1wa2 s THR 208 Cb 0.00 -2.95 -0.08 0.00 0.01 0.00 0.00 72.50 69.49 1wa2 s THR 208 CO 0.00 -0.20 1.26 -2.84 -0.69 0.00 0.00 174.62 172.15 1wa2 s PRO 209 N 1.30 3.81 0.16 4.92 0.02 -1.26 -4.89 135.00 139.06 1wa2 s PRO 209 Ca -0.02 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.04 1wa2 s PRO 209 Cb -0.20 -2.59 -0.02 0.00 0.02 0.00 0.00 34.50 31.71 1wa2 s PRO 209 CO 0.00 -0.58 1.37 0.66 -0.33 0.00 0.00 177.00 178.12 1wa2 h SER 210 N 2.35 0.31 -4.99 2.53 4.64 -1.28 -3.47 113.55 113.65 1wa2 h SER 210 Ca -0.50 -0.25 -0.14 0.00 -0.47 0.00 0.00 61.79 60.43 1wa2 h SER 210 Cb 1.25 -0.10 -0.20 0.00 -0.31 0.00 0.00 62.40 63.04 1wa2 h SER 210 CO 0.61 1.05 -0.50 -1.00 -0.87 0.00 0.00 176.83 176.11 1wa2 s HIS 211 N -3.24 0.06 -0.18 4.77 3.76 -1.20 -4.92 115.29 114.34 1wa2 s HIS 211 Ca -0.04 -0.18 -0.03 0.00 -0.15 0.00 0.00 55.06 54.67 1wa2 s HIS 211 Cb 0.10 -0.06 0.06 0.00 1.11 0.00 0.00 32.58 33.78 1wa2 s HIS 211 CO 0.83 -0.29 0.03 0.42 -0.85 0.00 0.00 174.74 174.89 1wa2 s ILE 212 N -1.47 0.47 0.07 0.60 1.01 -0.21 -0.54 121.20 121.13 1wa2 s ILE 212 Ca -0.14 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1wa2 s ILE 212 Cb -0.07 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1wa2 s ILE 212 CO 0.01 -0.15 -0.22 0.68 0.00 0.00 0.00 174.94 175.27 1wa2 s VAL 213 N 1.89 1.77 0.05 2.92 -7.23 -0.16 -0.70 120.40 118.94 1wa2 s VAL 213 Ca 0.00 -1.36 -0.27 0.00 -1.81 0.00 0.00 61.98 58.53 1wa2 s VAL 213 Cb -0.16 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 1wa2 s VAL 213 CO -0.08 0.13 0.86 -0.36 -0.31 0.00 0.00 175.10 175.35 1wa2 s PHE 214 N -0.93 3.73 -1.45 2.82 0.08 -1.26 -0.29 117.98 120.69 1wa2 s PHE 214 Ca 0.08 1.60 -0.10 0.00 0.12 0.00 0.00 56.93 58.63 1wa2 s PHE 214 Cb -0.09 -2.95 0.06 0.00 -0.57 0.00 0.00 43.02 39.47 1wa2 s PHE 214 CO 0.03 0.19 0.73 0.09 -0.10 0.00 0.00 175.22 176.15 1wa2 n ASN 215 N 3.08 -4.87 0.00 1.36 4.13 0.36 -3.06 115.26 116.27 1wa2 n ASN 215 Ca 0.01 -0.50 0.00 0.00 1.68 0.00 0.00 54.58 55.76 1wa2 n ASN 215 Cb 0.50 -3.93 0.00 0.00 -1.54 0.00 0.00 39.78 34.81 1wa2 n ASN 215 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wa2 n GLY 216 N -1.49 0.81 3.53 7.41 0.00 -1.22 -4.70 105.19 109.53 1wa2 n GLY 216 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1wa2 n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wa2 s LYS 217 N -0.73 0.86 0.14 1.61 -2.85 -1.17 -4.58 119.74 113.02 1wa2 s LYS 217 Ca 0.00 0.03 -0.34 0.00 -1.00 0.00 0.00 55.97 54.66 1wa2 s LYS 217 Cb 0.00 0.40 -0.14 0.00 -2.06 0.00 0.00 37.83 36.03 1wa2 s LYS 217 CO 0.00 -0.30 1.59 0.28 0.10 0.00 0.00 175.35 177.02 1wa2 n VAL 218 N 0.48 0.05 -0.97 1.79 0.31 -0.34 -1.91 118.33 117.74 1wa2 n VAL 218 Ca -0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1wa2 n VAL 218 Cb 0.59 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 1wa2 n VAL 218 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wa2 n GLY 219 N 3.47 0.58 0.47 2.92 0.00 -1.26 -4.85 105.19 106.52 1wa2 n GLY 219 Ca 0.17 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.48 1wa2 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa2 h ALA 220 N 0.00 2.72 -0.24 4.61 0.00 -1.60 -1.60 119.26 123.14 1wa2 h ALA 220 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1wa2 h ALA 220 Cb 0.10 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 1wa2 h ALA 220 CO 0.00 -1.04 -0.45 1.28 0.00 0.00 0.00 179.25 179.04 1wa2 n LEU 221 N -4.35 3.55 -4.51 0.00 4.77 -1.26 -4.71 117.00 110.48 1wa2 n LEU 221 Ca 0.22 -4.07 -0.24 0.00 -0.03 0.00 0.00 56.01 51.89 1wa2 n LEU 221 Cb 1.00 -0.52 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1wa2 n LEU 221 CO 0.35 1.53 -0.34 0.42 -1.33 0.00 0.00 177.39 178.02 1wa2 s THR 222 N -3.55 1.85 0.00 -5.08 -4.23 -0.60 -0.75 115.64 103.28 1wa2 s THR 222 Ca 0.43 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1wa2 s THR 222 Cb 0.39 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1wa2 s THR 222 CO -0.03 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 1wa2 n GLY 223 N -0.75 3.29 0.27 3.99 0.00 -1.26 -1.10 105.19 109.62 1wa2 n GLY 223 Ca -0.05 0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.38 1wa2 n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa2 h ALA 224 N -0.62 1.14 -0.69 4.61 0.00 -1.96 -2.20 119.26 119.54 1wa2 h ALA 224 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wa2 h ALA 224 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wa2 h ALA 224 CO 0.00 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1wa2 n ASN 225 N -3.39 4.24 -4.65 0.00 3.02 -0.26 -4.98 115.26 109.23 1wa2 n ASN 225 Ca -0.01 -2.20 -0.39 0.00 -0.03 0.00 0.00 54.58 51.95 1wa2 n ASN 225 Cb 0.25 -0.53 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 1wa2 n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wa2 n ALA 226 N 1.39 0.59 -1.08 5.41 0.00 -0.83 -4.13 120.51 121.86 1wa2 n ALA 226 Ca 0.25 0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1wa2 n ALA 226 Cb 0.73 -2.18 0.12 0.00 0.00 0.00 0.00 19.45 18.12 1wa2 n ALA 226 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wa2 s LEU 227 N -2.23 2.99 0.08 0.00 1.43 -0.24 -4.84 118.68 115.88 1wa2 s LEU 227 Ca 0.73 1.98 0.04 0.00 -1.03 0.00 0.00 54.13 55.85 1wa2 s LEU 227 Cb -0.44 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.21 1wa2 s LEU 227 CO 0.49 -2.40 -0.12 0.42 0.23 0.00 0.00 176.35 174.96 1wa2 s THR 228 N -2.76 1.03 0.38 5.49 -4.23 -1.26 -0.91 115.64 113.37 1wa2 s THR 228 Ca 0.64 -1.45 -0.16 0.00 -1.18 0.00 0.00 61.69 59.54 1wa2 s THR 228 Cb -0.20 -1.18 0.05 0.00 1.34 0.00 0.00 72.50 72.52 1wa2 s THR 228 CO 0.56 -0.38 0.78 0.00 -0.54 0.00 0.00 174.62 175.05 1wa2 s ALA 229 N -1.78 -0.79 0.10 3.99 0.00 -0.81 -4.93 121.76 117.54 1wa2 s ALA 229 Ca 0.01 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1wa2 s ALA 229 Cb -0.07 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 1wa2 s ALA 229 CO 0.01 -0.99 -0.17 0.15 0.00 0.00 0.00 175.76 174.76 1wa2 s LYS 230 N -2.46 1.02 0.12 0.00 3.01 -1.26 -1.14 119.74 119.03 1wa2 s LYS 230 Ca 0.15 -1.14 -0.35 0.00 -1.01 0.00 0.00 55.97 53.62 1wa2 s LYS 230 Cb -0.05 -1.09 -0.16 0.00 -1.01 0.00 0.00 37.83 35.52 1wa2 s LYS 230 CO 0.11 0.24 1.30 0.28 0.51 0.00 0.00 175.35 177.78 1wa2 n VAL 231 N 0.94 0.33 0.00 3.17 0.31 0.26 -1.72 118.33 121.63 1wa2 n VAL 231 Ca -0.19 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1wa2 n VAL 231 Cb 0.55 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 1wa2 n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wa2 n GLY 232 N 2.39 1.14 3.84 2.92 0.00 -0.04 -4.99 105.19 110.45 1wa2 n GLY 232 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1wa2 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wa2 s GLU 233 N -0.64 3.92 -0.22 1.61 2.12 -0.70 -4.87 118.70 119.92 1wa2 s GLU 233 Ca 0.00 0.42 -0.12 0.00 0.36 0.00 0.00 54.97 55.63 1wa2 s GLU 233 Cb 0.00 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 1wa2 s GLU 233 CO 0.00 0.69 0.22 0.99 -0.54 0.00 0.00 175.26 176.62 1wa2 s THR 234 N -1.09 5.32 -0.04 -1.70 2.01 -1.26 -2.39 115.64 116.49 1wa2 s THR 234 Ca 0.24 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.57 1wa2 s THR 234 Cb -0.17 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1wa2 s THR 234 CO 0.14 0.33 -0.02 0.68 -0.69 0.00 0.00 174.62 175.06 1wa2 s VAL 235 N 1.02 4.05 -0.23 3.82 -7.23 -0.13 -0.13 120.40 121.57 1wa2 s VAL 235 Ca 0.11 -0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 1wa2 s VAL 235 Cb -0.14 -2.74 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 1wa2 s VAL 235 CO 0.05 0.49 0.18 -0.22 -0.31 0.00 0.00 175.10 175.29 1wa2 s LEU 236 N -1.19 4.13 -0.35 1.32 2.96 0.20 -1.28 118.68 124.47 1wa2 s LEU 236 Ca 0.16 0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.19 1wa2 s LEU 236 Cb -0.11 -2.14 0.06 0.00 0.50 0.00 0.00 46.19 44.49 1wa2 s LEU 236 CO 0.06 0.07 0.10 -0.76 -1.32 0.00 0.00 176.35 174.50 1wa2 s LEU 237 N 0.99 4.42 -0.17 -0.68 1.43 0.06 -0.50 118.68 124.22 1wa2 s LEU 237 Ca 0.09 -1.36 -0.19 0.00 -1.03 0.00 0.00 54.13 51.64 1wa2 s LEU 237 Cb -0.13 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1wa2 s LEU 237 CO 0.04 -0.36 0.55 -0.63 0.23 0.00 0.00 176.35 176.18 1wa2 s ILE 238 N 1.32 5.10 -0.18 -0.59 1.01 -0.34 -1.70 121.20 125.81 1wa2 s ILE 238 Ca -0.01 1.04 0.01 0.00 0.00 0.00 0.00 60.65 61.69 1wa2 s ILE 238 Cb -0.20 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 38.43 1wa2 s ILE 238 CO 0.00 0.20 -0.11 -2.28 0.00 0.00 0.00 174.94 172.75 1wa2 s HIS 239 N 1.44 2.30 -0.04 3.97 2.46 -0.50 -0.26 115.29 124.67 1wa2 s HIS 239 Ca 0.26 -1.46 0.01 0.00 0.47 0.00 0.00 55.06 54.34 1wa2 s HIS 239 Cb -0.16 -1.60 -0.03 0.00 -0.13 0.00 0.00 32.58 30.66 1wa2 s HIS 239 CO 0.10 -0.72 -0.03 -1.54 -2.47 0.00 0.00 174.74 170.09 1wa2 s SER 240 N 1.44 4.96 -0.26 9.88 1.04 -0.16 -1.24 113.70 129.36 1wa2 s SER 240 Ca 0.00 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.43 1wa2 s SER 240 Cb -0.15 -1.30 0.12 0.00 0.10 0.00 0.00 66.02 64.78 1wa2 s SER 240 CO -0.09 0.33 0.25 -1.58 0.98 0.00 0.00 173.24 173.14 1wa2 s GLN 241 N -1.13 0.26 0.00 4.02 -0.44 -0.75 -1.11 119.66 120.51 1wa2 s GLN 241 Ca 0.15 -0.06 0.29 0.00 -2.50 0.00 0.00 55.36 53.25 1wa2 s GLN 241 Cb -0.11 -0.91 1.25 0.00 -1.64 0.00 0.00 33.01 31.60 1wa2 s GLN 241 CO 0.05 -0.89 1.89 0.00 0.50 0.00 0.00 175.29 176.84 1wa2 n ALA 242 N 5.31 2.66 0.00 1.58 0.00 -1.26 -0.18 120.51 128.61 1wa2 n ALA 242 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1wa2 n ALA 242 Cb 0.47 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1wa2 n ALA 242 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wa2 n ASN 243 N -1.24 1.15 -3.75 0.00 5.15 -1.26 -3.21 115.26 112.11 1wa2 n ASN 243 Ca 0.12 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.96 1wa2 n ASN 243 Cb 0.29 0.19 -0.09 0.00 -0.53 0.00 0.00 39.78 39.64 1wa2 n ASN 243 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1wa2 s ARG 244 N -0.72 0.63 0.58 1.20 3.52 -1.26 -4.66 118.95 118.24 1wa2 s ARG 244 Ca 0.00 -0.04 -0.19 0.00 -0.13 0.00 0.00 55.73 55.37 1wa2 s ARG 244 Cb 0.00 0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.64 1wa2 s ARG 244 CO 0.00 -0.16 1.21 -0.51 -0.81 0.00 0.00 175.30 175.03 1wa2 s ASP 245 N -1.02 5.27 0.22 -2.12 1.01 -1.26 -3.63 116.67 115.14 1wa2 s ASP 245 Ca -0.11 2.40 -0.05 0.00 0.71 0.00 0.00 52.55 55.50 1wa2 s ASP 245 Cb -0.04 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 1wa2 s ASP 245 CO 0.04 -1.54 0.27 0.28 0.21 0.00 0.00 175.17 174.43 1wa2 s THR 246 N -1.58 0.00 -0.44 -1.27 -1.32 -0.61 -4.87 115.64 105.56 1wa2 s THR 246 Ca 0.76 -1.77 0.04 0.00 -1.21 0.00 0.00 61.69 59.51 1wa2 s THR 246 Cb -0.31 -2.39 0.17 0.00 -1.51 0.00 0.00 72.50 68.46 1wa2 s THR 246 CO 0.34 0.00 0.35 0.00 -2.21 0.00 0.00 174.62 173.10 1wa2 s ARG 247 N -4.08 1.04 0.46 7.08 1.70 -1.26 -1.34 118.95 122.54 1wa2 s ARG 247 Ca 0.33 -2.21 -0.25 0.00 -0.47 0.00 0.00 55.73 53.13 1wa2 s ARG 247 Cb 0.04 -1.59 -0.08 0.00 -0.57 0.00 0.00 34.95 32.75 1wa2 s ARG 247 CO 0.11 -1.38 1.37 -2.14 -1.08 0.00 0.00 175.30 172.19 1wa2 s PRO 248 N -0.06 3.66 -0.08 3.89 0.02 -1.13 -0.78 135.00 140.52 1wa2 s PRO 248 Ca 0.32 2.29 -0.10 0.00 0.02 0.00 0.00 61.00 63.53 1wa2 s PRO 248 Cb 0.03 -2.60 0.02 0.00 0.02 0.00 0.00 34.50 31.97 1wa2 s PRO 248 CO -0.19 -0.79 0.27 -1.58 -0.33 0.00 0.00 177.00 174.37 1wa2 s HIS 249 N -1.25 -0.25 -0.32 6.54 2.46 0.10 -1.70 115.29 120.87 1wa2 s HIS 249 Ca 0.62 0.59 -0.06 0.00 0.47 0.00 0.00 55.06 56.67 1wa2 s HIS 249 Cb -0.41 0.09 0.03 0.00 -0.13 0.00 0.00 32.58 32.15 1wa2 s HIS 249 CO 0.52 -0.19 0.09 -1.17 -2.47 0.00 0.00 174.74 171.52 1wa2 s LEU 250 N -0.20 4.08 -0.02 8.88 2.96 -1.26 -1.26 118.68 131.85 1wa2 s LEU 250 Ca -0.03 -0.94 -0.30 0.00 -0.22 0.00 0.00 54.13 52.63 1wa2 s LEU 250 Cb -0.03 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 1wa2 s LEU 250 CO 0.01 -0.26 1.37 -0.63 -1.32 0.00 0.00 176.35 175.52 1wa2 s ILE 251 N 1.44 3.83 0.00 6.68 1.01 0.54 -1.55 121.20 133.15 1wa2 s ILE 251 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1wa2 s ILE 251 Cb -0.18 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1wa2 s ILE 251 CO 0.02 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1wa2 n GLY 252 N 3.63 0.86 0.00 6.18 0.00 -1.26 -4.10 105.19 110.49 1wa2 n GLY 252 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1wa2 n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa2 n GLY 253 N -2.21 6.02 3.56 -0.02 0.00 -0.60 -5.01 105.19 106.94 1wa2 n GLY 253 Ca 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 1wa2 n GLY 253 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wa2 s HIS 254 N -0.33 0.50 -0.54 1.61 3.76 -1.26 -4.73 115.29 114.30 1wa2 s HIS 254 Ca 0.00 -0.84 -0.20 0.00 -0.15 0.00 0.00 55.06 53.86 1wa2 s HIS 254 Cb 0.00 0.12 0.06 0.00 1.11 0.00 0.00 32.58 33.87 1wa2 s HIS 254 CO 0.00 -1.00 0.73 0.20 -0.85 0.00 0.00 174.74 173.82 1wa2 s GLY 255 N -3.06 1.66 0.09 -2.22 0.00 -0.05 -4.73 107.32 99.02 1wa2 s GLY 255 Ca 0.24 -1.69 -0.19 0.00 0.00 0.00 0.00 44.72 43.08 1wa2 s GLY 255 CO 0.11 1.66 1.61 -0.55 0.00 0.00 0.00 173.10 175.92 1wa2 h ASP 256 N 9.13 0.32 -3.35 1.64 3.32 -1.49 -1.34 116.42 124.65 1wa2 h ASP 256 Ca -0.28 -0.20 -0.39 0.00 0.02 0.00 0.00 57.03 56.19 1wa2 h ASP 256 Cb 1.09 -0.08 -0.37 0.00 0.22 0.00 0.00 39.33 40.18 1wa2 h ASP 256 CO 1.02 0.44 -0.75 0.26 -1.72 0.00 0.00 179.24 178.49 1wa2 s TRP 257 N -5.41 0.37 -0.04 4.55 0.52 -1.14 -3.10 118.94 114.69 1wa2 s TRP 257 Ca -0.14 0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.02 1wa2 s TRP 257 Cb 0.07 -0.57 0.01 0.00 -1.15 0.00 0.00 33.47 31.83 1wa2 s TRP 257 CO 0.72 -0.22 -0.07 0.08 0.02 0.00 0.00 176.95 177.48 1wa2 s VAL 258 N 1.71 0.68 -0.76 4.03 1.01 0.27 -0.59 120.40 126.75 1wa2 s VAL 258 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1wa2 s VAL 258 Cb -0.13 -0.65 0.19 0.00 0.00 0.00 0.00 36.38 35.80 1wa2 s VAL 258 CO -0.03 0.24 0.62 0.26 0.00 0.00 0.00 175.10 176.19 1wa2 s TRP 259 N 0.58 3.65 0.31 5.22 0.51 -0.22 -0.98 118.94 128.00 1wa2 s TRP 259 Ca -0.09 -2.80 0.07 0.00 -2.12 0.00 0.00 56.10 51.16 1wa2 s TRP 259 Cb -0.12 -3.27 0.52 0.00 -0.81 0.00 0.00 33.47 29.79 1wa2 s TRP 259 CO 0.01 -0.81 1.75 1.05 -0.51 0.00 0.00 176.95 178.44 1wa2 h GLU 260 N 6.63 0.27 0.00 4.98 4.11 -1.86 -0.49 114.58 128.22 1wa2 h GLU 260 Ca 0.07 -0.11 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1wa2 h GLU 260 Cb 0.90 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1wa2 h GLU 260 CO 0.78 0.58 -0.03 0.25 0.07 0.00 0.00 179.01 180.65 1wa2 n THR 261 N -4.09 0.06 -1.47 -1.06 -2.24 -1.26 -4.27 114.28 99.95 1wa2 n THR 261 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1wa2 n THR 261 Cb 0.42 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1wa2 n THR 261 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wa2 n GLY 262 N 1.48 0.45 2.97 3.38 0.00 -0.23 -4.77 105.19 108.48 1wa2 n GLY 262 Ca 0.07 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 1wa2 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa2 s LYS 263 N -2.98 1.61 0.22 1.61 -0.14 -1.26 -0.30 119.74 118.50 1wa2 s LYS 263 Ca 0.00 -1.35 0.20 0.00 -1.36 0.00 0.00 55.97 53.46 1wa2 s LYS 263 Cb 0.00 -2.77 0.90 0.00 -1.68 0.00 0.00 37.83 34.28 1wa2 s LYS 263 CO 0.00 -0.74 1.60 1.19 -0.76 0.00 0.00 175.35 176.64 1wa2 n PHE 264 N 4.51 0.61 0.93 3.18 3.72 -1.17 -1.79 117.46 127.45 1wa2 n PHE 264 Ca -0.07 0.27 0.12 0.00 -0.05 0.00 0.00 57.45 57.73 1wa2 n PHE 264 Cb 0.43 -0.93 0.56 0.00 -0.94 0.00 0.00 39.48 38.59 1wa2 n PHE 264 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wa2 n ALA 265 N -1.72 2.18 -2.59 4.37 0.00 -1.26 -4.73 120.51 116.76 1wa2 n ALA 265 Ca 0.01 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 1wa2 n ALA 265 Cb 0.14 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 1wa2 n ALA 265 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wa2 s ASN 266 N -2.93 6.62 0.35 0.00 0.01 -0.74 -5.06 114.94 113.18 1wa2 s ASN 266 Ca 0.14 0.76 -0.28 0.00 -0.71 0.00 0.00 52.86 52.77 1wa2 s ASN 266 Cb 0.17 -2.16 -0.11 0.00 0.41 0.00 0.00 41.25 39.56 1wa2 s ASN 266 CO 0.45 0.16 1.39 -2.16 -1.51 0.00 0.00 177.10 175.43 1wa2 s PRO 267 N -2.00 4.25 0.68 -0.60 0.04 -1.26 -4.97 135.00 131.14 1wa2 s PRO 267 Ca 0.34 2.37 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 1wa2 s PRO 267 Cb -0.14 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1wa2 s PRO 267 CO 0.19 -0.34 1.07 -1.25 0.04 0.00 0.00 177.00 176.71 1wa2 s PRO 268 N -1.85 2.90 0.18 0.56 0.04 -1.26 -4.94 135.00 130.62 1wa2 s PRO 268 Ca 0.51 1.10 -0.06 0.00 0.04 0.00 0.00 61.00 62.59 1wa2 s PRO 268 Cb -0.43 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.07 1wa2 s PRO 268 CO 0.57 -1.14 0.44 -0.65 0.04 0.00 0.00 177.00 176.25 1wa2 s GLN 269 N -4.66 3.67 0.23 4.56 -0.21 -0.15 -4.71 119.66 118.39 1wa2 s GLN 269 Ca 0.61 0.01 0.11 0.00 0.02 0.00 0.00 55.36 56.11 1wa2 s GLN 269 Cb -0.16 -2.78 -0.05 0.00 1.00 0.00 0.00 33.01 31.03 1wa2 s GLN 269 CO 0.49 0.41 -0.14 -0.98 -2.12 0.00 0.00 175.29 172.94 1wa2 s ARG 270 N -2.79 1.87 -1.34 2.91 1.70 -1.26 -0.56 118.95 119.49 1wa2 s ARG 270 Ca 0.43 -1.51 0.00 0.00 -0.47 0.00 0.00 55.73 54.18 1wa2 s ARG 270 Cb -0.12 -1.97 0.00 0.00 -0.57 0.00 0.00 34.95 32.29 1wa2 s ARG 270 CO 0.24 0.38 0.00 -0.25 -1.08 0.00 0.00 175.30 174.59 1wa2 n ASP 271 N -0.31 -4.48 -4.77 -2.89 8.00 -0.76 -4.96 116.55 106.39 1wa2 n ASP 271 Ca -0.08 0.26 -0.41 0.00 0.71 0.00 0.00 54.79 55.26 1wa2 n ASP 271 Cb 0.58 -3.24 -0.01 0.00 -0.02 0.00 0.00 41.12 38.43 1wa2 n ASP 271 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wa2 s LEU 272 N -3.13 4.38 -0.07 0.64 1.43 -0.58 -4.79 118.68 116.56 1wa2 s LEU 272 Ca 0.00 2.82 -0.17 0.00 -1.03 0.00 0.00 54.13 55.74 1wa2 s LEU 272 Cb 0.00 -3.65 -0.30 0.00 0.03 0.00 0.00 46.19 42.27 1wa2 s LEU 272 CO 0.00 -0.70 0.72 1.05 0.23 0.00 0.00 176.35 177.65 1wa2 h GLU 273 N 3.65 0.30 -3.23 1.70 4.11 -1.91 -0.10 114.58 119.10 1wa2 h GLU 273 Ca -0.49 -0.52 -0.20 0.00 0.07 0.00 0.00 59.36 58.23 1wa2 h GLU 273 Cb 1.23 0.19 -0.28 0.00 0.50 0.00 0.00 28.75 30.39 1wa2 h GLU 273 CO 0.68 1.25 -0.52 0.99 0.07 0.00 0.00 179.01 181.48 1wa2 s THR 274 N -2.48 -0.02 0.53 -1.06 2.01 -1.26 -4.30 115.64 109.06 1wa2 s THR 274 Ca -0.16 0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1wa2 s THR 274 Cb 0.03 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.26 1wa2 s THR 274 CO 0.81 0.03 0.06 -1.66 -0.69 0.00 0.00 174.62 173.16 1wa2 s TRP 275 N 0.54 1.73 -0.10 4.92 -2.14 -0.69 -4.99 118.94 118.21 1wa2 s TRP 275 Ca -0.04 -0.98 -0.01 0.00 2.66 0.00 0.00 56.10 57.73 1wa2 s TRP 275 Cb -0.05 -1.63 0.03 0.00 -3.10 0.00 0.00 33.47 28.72 1wa2 s TRP 275 CO -0.03 0.10 -0.02 0.12 -2.66 0.00 0.00 176.95 174.47 1wa2 s PHE 276 N -2.89 1.00 -0.30 1.66 5.36 -1.26 -2.83 117.98 118.72 1wa2 s PHE 276 Ca 0.06 -0.47 -0.11 0.00 -0.96 0.00 0.00 56.93 55.45 1wa2 s PHE 276 Cb 0.00 -0.98 -0.03 0.00 -0.34 0.00 0.00 43.02 41.67 1wa2 s PHE 276 CO 0.03 -0.43 0.19 0.42 -1.46 0.00 0.00 175.22 173.97 1wa2 s ILE 277 N 1.87 5.09 0.25 3.12 -1.09 -0.45 -4.51 121.20 125.48 1wa2 s ILE 277 Ca 0.04 -0.07 -0.30 0.00 -2.23 0.00 0.00 60.65 58.09 1wa2 s ILE 277 Cb -0.13 -3.50 -0.09 0.00 -1.58 0.00 0.00 42.46 37.15 1wa2 s ILE 277 CO -0.07 0.15 1.25 -0.13 -1.23 0.00 0.00 174.94 174.92 1wa2 s ARG 278 N 1.71 4.44 0.12 2.79 0.52 -1.26 -1.57 118.95 125.70 1wa2 s ARG 278 Ca 0.06 2.03 -0.35 0.00 -0.52 0.00 0.00 55.73 56.95 1wa2 s ARG 278 Cb -0.16 -3.16 -0.16 0.00 0.52 0.00 0.00 34.95 31.99 1wa2 s ARG 278 CO 0.09 -0.12 1.43 0.41 0.02 0.00 0.00 175.30 177.13 1wa2 n GLY 279 N 1.68 0.72 1.18 -3.53 0.00 -1.24 -1.80 105.19 102.20 1wa2 n GLY 279 Ca 0.03 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1wa2 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa2 n GLY 280 N 2.85 0.82 3.45 -0.02 0.00 0.75 -4.75 105.19 108.29 1wa2 n GLY 280 Ca 0.18 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1wa2 n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wa2 s SER 281 N -2.59 -0.15 -0.02 1.61 1.04 -0.75 -4.82 113.70 108.03 1wa2 s SER 281 Ca 0.00 -0.60 0.07 0.00 0.48 0.00 0.00 55.95 55.90 1wa2 s SER 281 Cb 0.00 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1wa2 s SER 281 CO 0.00 -0.99 -0.23 0.00 0.98 0.00 0.00 173.24 173.00 1wa2 s ALA 282 N -3.90 1.92 0.43 5.32 0.00 -1.26 -1.81 121.76 122.46 1wa2 s ALA 282 Ca 0.11 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.14 1wa2 s ALA 282 Cb 0.01 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 1wa2 s ALA 282 CO -0.02 0.47 0.01 0.20 0.00 0.00 0.00 175.76 176.41 1wa2 s GLY 283 N -0.53 2.62 -0.11 0.00 0.00 -0.37 -3.79 107.32 105.14 1wa2 s GLY 283 Ca 0.08 -1.87 -0.08 0.00 0.00 0.00 0.00 44.72 42.85 1wa2 s GLY 283 CO -0.01 -2.11 0.27 0.00 0.00 0.00 0.00 173.10 171.25 1wa2 s ALA 284 N -2.76 -0.66 -0.01 3.20 0.00 -0.96 -1.40 121.76 119.16 1wa2 s ALA 284 Ca 0.29 0.88 0.04 0.00 0.00 0.00 0.00 51.96 53.17 1wa2 s ALA 284 Cb 0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1wa2 s ALA 284 CO 0.15 -0.16 -0.13 0.00 0.00 0.00 0.00 175.76 175.62 1wa2 s ALA 285 N 0.55 1.05 -0.10 0.00 0.00 -0.69 -1.06 121.76 121.51 1wa2 s ALA 285 Ca -0.03 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 1wa2 s ALA 285 Cb -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1wa2 s ALA 285 CO -0.03 0.25 0.12 -0.51 0.00 0.00 0.00 175.76 175.59 1wa2 s LEU 286 N -0.28 4.26 -0.07 0.00 1.43 0.24 -0.76 118.68 123.50 1wa2 s LEU 286 Ca 0.05 0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1wa2 s LEU 286 Cb -0.05 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.12 1wa2 s LEU 286 CO -0.00 0.39 0.16 -0.47 0.23 0.00 0.00 176.35 176.65 1wa2 s TYR 287 N -1.04 -0.18 -0.33 0.29 5.04 -0.41 -1.29 117.35 119.44 1wa2 s TYR 287 Ca 0.16 0.48 -0.13 0.00 -2.44 0.00 0.00 57.07 55.14 1wa2 s TYR 287 Cb -0.12 -0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.16 1wa2 s TYR 287 CO 0.05 -0.14 0.24 0.99 -1.34 0.00 0.00 175.55 175.36 1wa2 s THR 288 N 0.73 5.28 0.26 4.34 2.01 -1.26 -0.96 115.64 126.04 1wa2 s THR 288 Ca -0.05 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1wa2 s THR 288 Cb -0.07 -3.70 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 1wa2 s THR 288 CO -0.04 0.02 1.35 -0.36 -0.69 0.00 0.00 174.62 174.91 1wa2 s PHE 289 N 1.76 3.10 0.00 4.92 0.08 -1.01 -4.88 117.98 121.95 1wa2 s PHE 289 Ca 0.07 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.35 1wa2 s PHE 289 Cb -0.17 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.58 1wa2 s PHE 289 CO 0.11 -2.13 0.00 1.63 -0.10 0.00 0.00 175.22 174.73 1wa2 n LYS 290 N 1.85 0.95 -4.58 0.44 5.02 -1.26 -0.86 118.16 119.72 1wa2 n LYS 290 Ca 0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 1wa2 n LYS 290 Cb 0.42 -0.93 -0.14 0.00 -0.02 0.00 0.00 35.03 34.36 1wa2 n LYS 290 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wa2 s GLN 291 N -1.84 1.33 0.80 1.97 -1.52 -1.26 -4.66 119.66 114.47 1wa2 s GLN 291 Ca 0.00 -0.95 -0.11 0.00 -1.95 0.00 0.00 55.36 52.35 1wa2 s GLN 291 Cb 0.00 -1.45 0.09 0.00 -0.22 0.00 0.00 33.01 31.43 1wa2 s GLN 291 CO 0.00 0.37 1.15 -1.25 -0.25 0.00 0.00 175.29 175.30 1wa2 s PRO 292 N -1.25 1.88 0.00 2.91 0.04 -1.26 -4.79 135.00 132.52 1wa2 s PRO 292 Ca 0.07 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1wa2 s PRO 292 Cb -0.09 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1wa2 s PRO 292 CO 0.02 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 175.89 1wa2 n GLY 293 N -3.25 1.01 3.64 0.56 0.00 0.14 -4.95 105.19 102.34 1wa2 n GLY 293 Ca 0.09 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 1wa2 n GLY 293 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wa2 s VAL 294 N -1.06 5.24 0.13 1.61 1.01 -1.26 -1.03 120.40 125.04 1wa2 s VAL 294 Ca 0.00 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1wa2 s VAL 294 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1wa2 s VAL 294 CO 0.00 0.24 0.22 -0.31 0.00 0.00 0.00 175.10 175.25 1wa2 s TYR 295 N 1.52 3.38 -0.10 5.22 1.51 0.32 -4.96 117.35 124.24 1wa2 s TYR 295 Ca 0.14 0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 56.27 1wa2 s TYR 295 Cb -0.15 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 1wa2 s TYR 295 CO 0.08 0.53 0.04 0.00 -1.11 0.00 0.00 175.55 175.08 1wa2 s ALA 296 N -1.67 3.43 -0.20 3.71 0.00 -1.26 -1.50 121.76 124.26 1wa2 s ALA 296 Ca 0.33 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1wa2 s ALA 296 Cb -0.11 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.44 1wa2 s ALA 296 CO 0.27 0.59 -0.15 -0.47 0.00 0.00 0.00 175.76 175.99 1wa2 s TYR 297 N -0.89 2.81 0.18 0.00 5.04 -0.16 -0.34 117.35 123.99 1wa2 s TYR 297 Ca 0.13 -1.79 -0.10 0.00 -2.44 0.00 0.00 57.07 52.87 1wa2 s TYR 297 Cb -0.12 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.34 1wa2 s TYR 297 CO 0.03 -0.81 0.32 -0.48 -1.34 0.00 0.00 175.55 173.27 1wa2 s LEU 298 N 1.27 0.80 -0.21 6.97 0.05 -0.39 -0.33 118.68 126.84 1wa2 s LEU 298 Ca 0.00 -0.87 -0.29 0.00 0.05 0.00 0.00 54.13 53.02 1wa2 s LEU 298 Cb -0.15 1.32 -0.01 0.00 -2.05 0.00 0.00 46.19 45.29 1wa2 s LEU 298 CO -0.10 -0.94 1.32 0.21 -0.55 0.00 0.00 176.35 176.30 1wa2 s ASN 299 N -2.98 6.79 -0.08 1.48 3.84 -0.80 -0.72 114.94 122.46 1wa2 s ASN 299 Ca 0.18 1.54 0.03 0.00 0.21 0.00 0.00 52.86 54.82 1wa2 s ASN 299 Cb 0.03 -2.54 0.21 0.00 -0.55 0.00 0.00 41.25 38.40 1wa2 s ASN 299 CO 0.02 -0.92 0.98 1.57 -2.79 0.00 0.00 177.10 175.95 1wa2 n HIS 300 N 7.15 0.66 -2.67 0.43 -0.00 0.04 -4.07 115.22 116.76 1wa2 n HIS 300 Ca 0.15 -0.42 -0.42 0.00 -0.00 0.00 0.00 57.72 57.02 1wa2 n HIS 300 Cb 0.45 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.99 30.12 1wa2 n HIS 300 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1wa2 s ASN 301 N -0.01 6.28 0.56 0.26 3.84 -1.26 -4.92 114.94 119.68 1wa2 s ASN 301 Ca 0.15 -0.35 0.33 0.00 0.21 0.00 0.00 52.86 53.20 1wa2 s ASN 301 Cb 0.12 -2.51 1.61 0.00 -0.55 0.00 0.00 41.25 39.92 1wa2 s ASN 301 CO 0.04 -1.54 2.10 -0.07 -2.79 0.00 0.00 177.10 174.83 1wa2 h LEU 302 N 12.01 0.00 0.00 3.21 3.38 -2.00 -0.88 115.31 131.04 1wa2 h LEU 302 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1wa2 h LEU 302 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1wa2 h LEU 302 CO 1.20 0.07 -0.00 0.40 0.09 0.00 0.00 178.44 180.20 1wa2 h ILE 303 N 0.00 1.24 -0.72 1.22 2.04 -1.91 -0.36 117.51 119.02 1wa2 h ILE 303 Ca -0.00 -0.71 0.08 0.00 1.00 0.00 0.00 64.86 65.23 1wa2 h ILE 303 Cb 0.33 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1wa2 h ILE 303 CO 0.01 0.18 0.47 -0.33 0.00 0.00 0.00 178.15 178.48 1wa2 h GLU 304 N -0.30 0.67 0.10 2.37 5.08 -1.54 -0.60 114.58 120.35 1wa2 h GLU 304 Ca -0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1wa2 h GLU 304 Cb 0.30 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1wa2 h GLU 304 CO 0.00 0.44 -0.05 0.00 -1.00 0.00 0.00 179.01 178.40 1wa2 h ALA 305 N 1.62 -0.25 0.13 3.43 0.00 -1.15 -1.34 119.26 121.70 1wa2 h ALA 305 Ca 0.32 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.92 1wa2 h ALA 305 Cb 0.35 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wa2 h ALA 305 CO -0.11 -0.24 -1.23 0.74 0.00 0.00 0.00 179.25 178.41 1wa2 h PHE 306 N -0.51 0.53 0.10 0.00 0.04 -1.10 -2.11 116.94 113.88 1wa2 h PHE 306 Ca -0.01 -0.38 -0.25 0.00 2.80 0.00 0.00 57.97 60.12 1wa2 h PHE 306 Cb 0.10 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1wa2 h PHE 306 CO 0.03 1.29 -1.30 0.93 -0.60 0.00 0.00 178.31 178.65 1wa2 h GLU 307 N 0.09 0.21 0.00 1.51 4.39 -1.28 -3.41 114.58 116.08 1wa2 h GLU 307 Ca -0.14 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1wa2 h GLU 307 Cb 1.96 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.74 1wa2 h GLU 307 CO 0.21 1.17 -1.25 1.28 -1.16 0.00 0.00 179.01 179.26 1wa2 n LEU 308 N -4.02 0.60 0.00 1.33 4.77 -0.65 -5.00 117.00 114.04 1wa2 n LEU 308 Ca -0.24 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1wa2 n LEU 308 Cb 0.85 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1wa2 n LEU 308 CO 0.39 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1wa2 n GLY 309 N 1.39 1.02 2.92 -0.72 0.00 -0.83 -1.05 105.19 107.92 1wa2 n GLY 309 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1wa2 n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa2 n ALA 310 N -0.08 5.22 -3.58 4.61 0.00 0.13 -4.01 120.51 122.79 1wa2 n ALA 310 Ca 0.00 -4.31 -0.15 0.00 0.00 0.00 0.00 53.44 48.98 1wa2 n ALA 310 Cb 0.00 -2.99 -0.07 0.00 0.00 0.00 0.00 19.45 16.39 1wa2 n ALA 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wa2 s ALA 311 N 0.50 -1.71 0.00 0.00 0.00 -1.26 -1.91 121.76 117.38 1wa2 s ALA 311 Ca 0.40 1.83 0.00 0.00 0.00 0.00 0.00 51.96 54.19 1wa2 s ALA 311 Cb 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1wa2 s ALA 311 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1wa2 n GLY 312 N 2.37 4.33 3.02 0.00 0.00 0.56 -4.55 105.19 110.92 1wa2 n GLY 312 Ca -0.15 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 1wa2 n GLY 312 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wa2 s GLN 313 N -1.40 0.42 -0.12 1.61 -0.21 0.07 -0.99 119.66 119.05 1wa2 s GLN 313 Ca 0.00 -0.70 -0.00 0.00 0.02 0.00 0.00 55.36 54.68 1wa2 s GLN 313 Cb 0.00 -0.07 0.02 0.00 1.00 0.00 0.00 33.01 33.96 1wa2 s GLN 313 CO 0.00 -0.01 -0.10 0.42 -2.12 0.00 0.00 175.29 173.49 1wa2 s ILE 314 N -1.52 1.18 -0.27 1.08 1.01 -0.56 -1.08 121.20 121.04 1wa2 s ILE 314 Ca -0.12 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 1wa2 s ILE 314 Cb -0.09 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 1wa2 s ILE 314 CO -0.01 0.39 0.44 -0.75 0.00 0.00 0.00 174.94 175.01 1wa2 s LYS 315 N 1.58 4.03 -0.14 2.79 2.20 -0.09 -0.52 119.74 129.60 1wa2 s LYS 315 Ca 0.04 0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.83 1wa2 s LYS 315 Cb -0.13 -3.66 0.01 0.00 -1.51 0.00 0.00 37.83 32.54 1wa2 s LYS 315 CO -0.08 -0.32 -0.20 0.08 -0.36 0.00 0.00 175.35 174.47 1wa2 s VAL 316 N 2.18 2.23 0.28 4.02 1.01 -0.20 -1.93 120.40 127.99 1wa2 s VAL 316 Ca 0.18 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1wa2 s VAL 316 Cb -0.16 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1wa2 s VAL 316 CO 0.10 0.54 0.55 -1.61 0.00 0.00 0.00 175.10 174.68 1wa2 s GLU 317 N 0.75 3.65 0.00 2.72 0.41 -0.29 -0.68 118.70 125.25 1wa2 s GLU 317 Ca -0.08 0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.51 1wa2 s GLU 317 Cb -0.16 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 1wa2 s GLU 317 CO -0.00 0.23 0.00 0.41 -0.49 0.00 0.00 175.26 175.41 1wa2 n GLY 318 N -0.82 0.84 3.65 -1.39 0.00 -1.26 -0.57 105.19 105.65 1wa2 n GLY 318 Ca -0.01 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 1wa2 n GLY 318 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa2 s LYS 319 N -1.55 4.05 0.52 1.61 -0.14 -1.26 -4.66 119.74 118.30 1wa2 s LYS 319 Ca 0.00 -0.29 -0.22 0.00 -1.36 0.00 0.00 55.97 54.10 1wa2 s LYS 319 Cb 0.00 -3.42 -0.06 0.00 -1.68 0.00 0.00 37.83 32.66 1wa2 s LYS 319 CO 0.00 0.14 1.29 1.87 -0.76 0.00 0.00 175.35 177.90 1wa2 n TRP 320 N 3.99 2.09 -3.96 3.18 -0.00 -1.26 -4.52 117.44 116.96 1wa2 n TRP 320 Ca -0.16 0.45 -0.31 0.00 -0.00 0.00 0.00 57.50 57.48 1wa2 n TRP 320 Cb 0.52 -2.34 -0.15 0.00 -0.00 0.00 0.00 31.31 29.34 1wa2 n TRP 320 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1wa2 s ASN 321 N -0.86 4.51 0.54 5.87 3.84 -1.26 -4.99 114.94 122.60 1wa2 s ASN 321 Ca 0.69 -1.91 0.33 0.00 0.21 0.00 0.00 52.86 52.18 1wa2 s ASN 321 Cb -0.44 -1.42 1.38 0.00 -0.55 0.00 0.00 41.25 40.21 1wa2 s ASN 321 CO 0.51 -0.36 1.99 0.44 -2.79 0.00 0.00 177.10 176.89 1wa2 h ASP 322 N 7.75 0.00 -0.38 -4.21 3.32 -1.96 -2.48 116.42 118.47 1wa2 h ASP 322 Ca -0.08 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 1wa2 h ASP 322 Cb 1.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1wa2 h ASP 322 CO 0.50 0.03 -0.15 -0.78 -1.72 0.00 0.00 179.24 177.11 1wa2 h ASP 323 N 0.00 0.80 -0.27 6.45 3.58 -2.02 -3.25 116.42 121.72 1wa2 h ASP 323 Ca -0.00 -0.39 -0.17 0.00 0.42 0.00 0.00 57.03 56.89 1wa2 h ASP 323 Cb 0.51 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1wa2 h ASP 323 CO 0.00 1.01 -0.48 -0.07 -2.88 0.00 0.00 179.24 176.83 1wa2 h LEU 324 N 0.58 0.89 -7.12 2.28 3.38 -1.91 -3.45 115.31 109.97 1wa2 h LEU 324 Ca 0.09 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1wa2 h LEU 324 Cb 0.69 -0.26 -0.23 0.00 0.09 0.00 0.00 40.66 40.96 1wa2 h LEU 324 CO 0.05 1.25 -0.08 -0.32 0.09 0.00 0.00 178.44 179.42 1wa2 s MET 325 N -4.14 0.62 -0.04 1.13 0.00 -0.97 -5.14 119.30 110.76 1wa2 s MET 325 Ca -0.11 0.92 -0.01 0.00 0.00 0.00 0.00 55.69 56.49 1wa2 s MET 325 Cb 0.09 0.19 0.03 0.00 0.00 0.00 0.00 34.83 35.15 1wa2 s MET 325 CO 0.87 -0.12 0.07 0.21 0.00 0.00 0.00 175.02 176.05 1wa2 s LYS 326 N 0.95 0.00 -0.56 4.11 2.20 -1.25 -4.04 119.74 121.16 1wa2 s LYS 326 Ca -0.05 0.27 -0.27 0.00 -0.36 0.00 0.00 55.97 55.56 1wa2 s LYS 326 Cb -0.05 -0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.01 1wa2 s LYS 326 CO -0.08 -0.18 1.83 -1.14 -0.36 0.00 0.00 175.35 175.41 1wa2 s GLN 327 N 1.18 2.78 0.05 4.03 0.74 -1.26 -4.85 119.66 122.32 1wa2 s GLN 327 Ca -0.08 0.74 -0.17 0.00 0.05 0.00 0.00 55.36 55.90 1wa2 s GLN 327 Cb -0.12 -4.34 -0.18 0.00 1.10 0.00 0.00 33.01 29.46 1wa2 s GLN 327 CO -0.04 -2.55 1.22 0.82 -0.55 0.00 0.00 175.29 174.20 1wa2 h ILE 328 N 6.85 1.36 -3.22 -2.34 1.08 -2.02 -3.43 117.51 115.80 1wa2 h ILE 328 Ca -0.27 -1.88 -0.42 0.00 -0.39 0.00 0.00 64.86 61.89 1wa2 h ILE 328 Cb 1.16 2.22 -0.40 0.00 -3.07 0.00 0.00 36.82 36.73 1wa2 h ILE 328 CO 1.18 0.57 -0.75 -0.54 -0.69 0.00 0.00 178.15 177.92 1wa2 s LYS 329 N -3.63 0.15 0.87 2.37 -0.14 -1.26 -5.15 119.74 112.95 1wa2 s LYS 329 Ca -0.12 0.13 -0.11 0.00 -1.36 0.00 0.00 55.97 54.51 1wa2 s LYS 329 Cb 0.06 -1.12 0.12 0.00 -1.68 0.00 0.00 37.83 35.21 1wa2 s LYS 329 CO 0.84 -0.45 1.14 0.00 -0.76 0.00 0.00 175.35 176.12 1wa2 s ALA 330 N 2.10 1.68 0.12 5.17 0.00 -1.26 -4.91 121.76 124.65 1wa2 s ALA 330 Ca 0.04 0.57 -0.35 0.00 0.00 0.00 0.00 51.96 52.21 1wa2 s ALA 330 Cb -0.14 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.40 1wa2 s ALA 330 CO -0.06 -2.50 1.37 -2.30 0.00 0.00 0.00 175.76 172.27 1wa2 n PRO 331 N -3.96 1.38 -3.49 0.00 -0.02 -1.26 -4.95 135.00 122.69 1wa2 n PRO 331 Ca 0.12 0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 1wa2 n PRO 331 Cb 0.52 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1wa2 n PRO 331 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wa2 s ALA 332 N 0.46 -1.78 0.67 3.55 0.00 -1.26 -5.16 121.76 118.24 1wa2 s ALA 332 Ca 0.81 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 53.58 1wa2 s ALA 332 Cb -0.88 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1wa2 s ALA 332 CO 0.46 -0.64 0.92 -2.30 0.00 0.00 0.00 175.76 174.19 1wa2 n PRO 333 N -0.09 0.65 -2.60 0.00 -0.02 -1.26 -4.94 135.00 126.74 1wa2 n PRO 333 Ca -0.11 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 1wa2 n PRO 333 Cb 0.62 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1wa2 n PRO 333 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wa2 s ILE 334 N -1.69 4.33 -1.20 4.25 1.01 -1.26 -5.24 121.20 121.39 1wa2 s ILE 334 Ca 0.74 1.81 0.00 0.00 0.00 0.00 0.00 60.65 63.20 1wa2 s ILE 334 Cb -0.38 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 37.94 1wa2 s ILE 334 CO 0.49 0.22 0.30 -2.65 0.00 0.00 0.00 174.94 173.30