#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr2 n LYS 2 N 0.00 1.82 -0.23 0.03 3.00 -1.26 -4.84 118.16 116.68 1wr2 n LYS 2 Ca 0.00 0.67 0.03 0.00 -0.00 0.00 0.00 58.31 59.00 1wr2 n LYS 2 Cb 0.00 -2.47 0.15 0.00 0.00 0.00 0.00 35.03 32.71 1wr2 n LYS 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1wr2 h GLU 3 N 8.65 0.40 -0.99 1.64 4.57 -1.99 -1.93 114.58 124.93 1wr2 h GLU 3 Ca -0.47 -0.02 0.14 0.00 -1.18 0.00 0.00 59.36 57.82 1wr2 h GLU 3 Cb 1.29 -0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 29.70 1wr2 h GLU 3 CO 0.96 0.26 0.62 1.49 -1.18 0.00 0.00 179.01 181.16 1wr2 h GLU 4 N 0.41 0.86 -0.13 1.92 4.57 -1.95 0.14 114.58 120.39 1wr2 h GLU 4 Ca 0.36 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.46 1wr2 h GLU 4 Cb 0.51 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1wr2 h GLU 4 CO -0.37 0.57 -0.02 0.00 -1.18 0.00 0.00 179.01 178.01 1wr2 h ALA 5 N 1.57 0.18 0.00 2.92 0.00 -1.68 -1.96 119.26 120.29 1wr2 h ALA 5 Ca 0.51 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1wr2 h ALA 5 Cb 0.63 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wr2 h ALA 5 CO -0.28 -0.10 -0.11 0.28 0.00 0.00 0.00 179.25 179.04 1wr2 h VAL 6 N -0.06 1.05 0.26 0.00 2.07 -1.06 -0.74 116.25 117.78 1wr2 h VAL 6 Ca 0.03 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1wr2 h VAL 6 Cb 0.42 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1wr2 h VAL 6 CO 0.01 0.11 -0.12 -0.09 0.02 0.00 0.00 177.57 177.50 1wr2 h ARG 7 N 0.00 -0.33 -0.83 1.57 2.43 -0.50 0.54 114.38 117.26 1wr2 h ARG 7 Ca -0.00 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1wr2 h ARG 7 Cb 0.20 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 1wr2 h ARG 7 CO 0.01 0.02 0.54 0.28 -1.51 0.00 0.00 179.97 179.32 1wr2 h VAL 8 N -0.77 1.22 0.32 0.20 2.07 -1.13 -0.90 116.25 117.26 1wr2 h VAL 8 Ca -0.04 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1wr2 h VAL 8 Cb 0.50 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1wr2 h VAL 8 CO 0.06 0.21 -0.15 0.40 0.02 0.00 0.00 177.57 178.11 1wr2 h ILE 9 N 1.13 0.70 -0.44 4.57 2.04 -1.12 -2.49 117.51 121.90 1wr2 h ILE 9 Ca 0.30 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 66.04 1wr2 h ILE 9 Cb -0.12 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 1wr2 h ILE 9 CO -0.06 0.04 0.03 -0.33 0.00 0.00 0.00 178.15 177.83 1wr2 h GLU 10 N -0.54 0.14 -0.70 2.37 4.39 -0.66 -1.47 114.58 118.12 1wr2 h GLU 10 Ca -0.04 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.78 1wr2 h GLU 10 Cb 0.40 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.92 1wr2 h GLU 10 CO 0.07 0.09 0.22 1.49 -1.16 0.00 0.00 179.01 179.73 1wr2 h GLU 11 N 0.15 0.34 -0.20 2.33 4.81 -1.07 0.29 114.58 121.23 1wr2 h GLU 11 Ca 0.22 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1wr2 h GLU 11 Cb 0.30 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1wr2 h GLU 11 CO -0.33 0.22 0.03 0.28 -0.73 0.00 0.00 179.01 178.47 1wr2 h VAL 12 N 0.35 1.23 -0.61 0.32 2.07 -0.89 -2.85 116.25 115.88 1wr2 h VAL 12 Ca 0.38 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1wr2 h VAL 12 Cb 0.59 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1wr2 h VAL 12 CO -0.42 0.24 0.32 -0.07 0.02 0.00 0.00 177.57 177.65 1wr2 h LEU 13 N 0.12 0.75 -2.19 2.57 3.38 -0.37 -0.99 115.31 118.58 1wr2 h LEU 13 Ca 0.06 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1wr2 h LEU 13 Cb 0.33 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1wr2 h LEU 13 CO 0.01 0.61 0.10 0.50 0.09 0.00 0.00 178.44 179.75 1wr2 h LYS 14 N 0.84 0.00 -0.31 1.13 3.64 -0.23 0.61 116.57 122.26 1wr2 h LYS 14 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1wr2 h LYS 14 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1wr2 h LYS 14 CO -0.03 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.19 1wr2 n GLN 15 N -4.14 1.76 -2.85 1.90 6.02 -0.39 -4.90 117.38 114.77 1wr2 n GLN 15 Ca -0.00 -1.17 -0.18 0.00 -0.01 0.00 0.00 57.00 55.64 1wr2 n GLN 15 Cb 0.21 -1.28 0.03 0.00 1.02 0.00 0.00 30.24 30.23 1wr2 n GLN 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wr2 n GLY 16 N 1.04 -0.28 3.50 1.08 0.00 0.21 -5.02 105.19 105.72 1wr2 n GLY 16 Ca 0.12 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1wr2 n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr2 s ARG 17 N -5.44 1.85 -0.09 1.61 0.52 -1.11 -5.03 118.95 111.25 1wr2 s ARG 17 Ca 0.23 -1.14 0.07 0.00 -0.52 0.00 0.00 55.73 54.37 1wr2 s ARG 17 Cb -0.10 -2.14 -0.11 0.00 0.52 0.00 0.00 34.95 33.12 1wr2 s ARG 17 CO 0.29 0.49 0.01 0.25 0.02 0.00 0.00 175.30 176.36 1wr2 n THR 18 N 0.85 0.63 -3.23 0.02 -2.24 -1.26 -4.02 114.28 105.02 1wr2 n THR 18 Ca -0.15 -0.37 -0.39 0.00 -2.27 0.00 0.00 64.05 60.87 1wr2 n THR 18 Cb 0.53 -0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 1wr2 n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wr2 s ALA 19 N -2.22 3.52 0.07 6.98 0.00 -1.26 0.79 121.76 129.64 1wr2 s ALA 19 Ca -0.06 -0.32 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 1wr2 s ALA 19 Cb 0.03 -2.81 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 1wr2 s ALA 19 CO 0.36 -0.35 0.52 -1.64 0.00 0.00 0.00 175.76 174.65 1wr2 s MET 20 N 1.43 4.08 0.68 0.00 1.00 -0.34 -4.95 119.30 121.19 1wr2 s MET 20 Ca 0.26 0.60 -0.11 0.00 0.00 0.00 0.00 55.69 56.43 1wr2 s MET 20 Cb -0.15 -3.17 0.00 0.00 0.00 0.00 0.00 34.83 31.50 1wr2 s MET 20 CO 0.10 0.62 1.08 0.14 0.00 0.00 0.00 175.02 176.96 1wr2 s VAL 21 N -1.17 3.81 0.25 -6.03 -7.23 -1.26 -4.33 120.40 104.44 1wr2 s VAL 21 Ca 0.29 0.57 -0.06 0.00 -1.81 0.00 0.00 61.98 60.97 1wr2 s VAL 21 Cb -0.18 -3.58 0.29 0.00 0.56 0.00 0.00 36.38 33.48 1wr2 s VAL 21 CO 0.18 -0.76 1.63 -0.08 -0.31 0.00 0.00 175.10 175.75 1wr2 h GLU 22 N -0.56 0.09 -0.08 4.82 4.81 -1.96 -0.66 114.58 121.04 1wr2 h GLU 22 Ca -0.45 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.68 1wr2 h GLU 22 Cb 1.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1wr2 h GLU 22 CO 0.63 0.06 -0.38 0.10 -0.73 0.00 0.00 179.01 178.69 1wr2 h TYR 23 N 0.09 0.19 -0.18 0.92 -0.00 -1.93 -1.46 116.97 114.60 1wr2 h TYR 23 Ca 0.43 -0.05 -0.18 0.00 0.00 0.00 0.00 58.73 58.93 1wr2 h TYR 23 Cb 0.76 -0.04 0.01 0.00 0.00 0.00 0.00 36.73 37.45 1wr2 h TYR 23 CO -0.44 0.52 -0.60 0.93 -0.00 0.00 0.00 178.16 178.57 1wr2 h GLU 24 N 0.14 0.72 -0.08 0.10 5.08 -1.53 -2.53 114.58 116.49 1wr2 h GLU 24 Ca 0.01 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1wr2 h GLU 24 Cb 0.74 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1wr2 h GLU 24 CO 0.06 1.16 0.05 0.00 -1.00 0.00 0.00 179.01 179.27 1wr2 h ALA 25 N 0.57 0.10 0.00 3.43 0.00 -1.07 -2.68 119.26 119.61 1wr2 h ALA 25 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wr2 h ALA 25 Cb 1.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1wr2 h ALA 25 CO 0.13 -0.39 -0.03 0.87 0.00 0.00 0.00 179.25 179.83 1wr2 h LYS 26 N 0.08 0.00 -0.68 0.00 1.57 -1.25 0.20 116.57 116.49 1wr2 h LYS 26 Ca 0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1wr2 h LYS 26 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1wr2 h LYS 26 CO -0.01 0.03 0.12 1.96 -0.57 0.00 0.00 179.45 180.98 1wr2 h GLN 27 N 0.00 1.12 -0.44 3.15 4.20 -1.12 0.19 115.11 122.20 1wr2 h GLN 27 Ca -0.00 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.37 1wr2 h GLN 27 Cb 0.05 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1wr2 h GLN 27 CO 0.00 1.02 0.13 0.28 -0.67 0.00 0.00 178.83 179.59 1wr2 h VAL 28 N 1.04 1.23 -0.19 -0.54 2.07 -0.78 -2.03 116.25 117.05 1wr2 h VAL 28 Ca 0.21 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1wr2 h VAL 28 Cb 0.43 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1wr2 h VAL 28 CO 0.01 0.27 0.10 -0.07 0.02 0.00 0.00 177.57 177.91 1wr2 h LEU 29 N 0.58 0.24 -1.33 2.57 3.38 -0.81 -2.77 115.31 117.17 1wr2 h LEU 29 Ca 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wr2 h LEU 29 Cb 0.29 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1wr2 h LEU 29 CO -0.00 0.26 0.38 0.11 0.09 0.00 0.00 178.44 179.28 1wr2 h LYS 30 N 0.20 0.83 0.00 1.13 1.57 -0.55 -1.29 116.57 118.47 1wr2 h LYS 30 Ca 0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wr2 h LYS 30 Cb 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1wr2 h LYS 30 CO -0.01 0.58 0.05 0.00 -0.57 0.00 0.00 179.45 179.50 1wr2 h ALA 31 N 1.57 1.05 -0.27 3.86 0.00 -1.07 0.18 119.26 124.59 1wr2 h ALA 31 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wr2 h ALA 31 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1wr2 h ALA 31 CO -0.04 -0.05 0.00 0.66 0.00 0.00 0.00 179.25 179.82 1wr2 n TYR 32 N -2.64 0.71 -1.03 0.00 4.01 -0.51 -4.95 117.16 112.75 1wr2 n TYR 32 Ca -0.02 -0.74 -0.01 0.00 -0.16 0.00 0.00 57.90 56.97 1wr2 n TYR 32 Cb 0.10 -0.20 -0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1wr2 n TYR 32 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wr2 n GLY 33 N -0.20 0.41 3.76 2.72 0.00 0.64 -4.95 105.19 107.57 1wr2 n GLY 33 Ca 0.17 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1wr2 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wr2 s LEU 34 N -0.24 3.64 -1.05 0.99 1.43 -1.08 -4.90 118.68 117.47 1wr2 s LEU 34 Ca 0.00 2.27 -0.23 0.00 -1.03 0.00 0.00 54.13 55.14 1wr2 s LEU 34 Cb 0.00 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 1wr2 s LEU 34 CO 0.00 -1.52 1.87 -2.16 0.23 0.00 0.00 176.35 174.77 1wr2 s PRO 35 N -3.44 2.77 -0.20 1.29 0.04 -1.26 -4.56 135.00 129.64 1wr2 s PRO 35 Ca 0.74 -0.84 -0.01 0.00 0.04 0.00 0.00 61.00 60.94 1wr2 s PRO 35 Cb -0.27 -5.20 0.01 0.00 0.04 0.00 0.00 34.50 29.08 1wr2 s PRO 35 CO 0.33 -3.36 -0.12 0.08 0.04 0.00 0.00 177.00 173.97 1wr2 s VAL 36 N 9.33 2.72 0.82 -0.36 1.01 -1.26 -0.63 120.40 132.04 1wr2 s VAL 36 Ca 0.65 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 1wr2 s VAL 36 Cb -0.03 -2.20 0.08 0.00 0.00 0.00 0.00 36.38 34.23 1wr2 s VAL 36 CO 0.04 0.47 1.09 -2.16 0.00 0.00 0.00 175.10 174.54 1wr2 s PRO 37 N 1.38 1.86 0.18 2.72 0.04 -1.26 -4.95 135.00 134.98 1wr2 s PRO 37 Ca 0.05 1.05 -0.32 0.00 0.04 0.00 0.00 61.00 61.83 1wr2 s PRO 37 Cb -0.14 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 1wr2 s PRO 37 CO -0.08 -1.89 1.67 -2.00 0.04 0.00 0.00 177.00 174.75 1wr2 s GLU 38 N -4.91 4.16 -0.02 4.56 2.56 -1.26 -5.00 118.70 118.79 1wr2 s GLU 38 Ca 0.62 2.51 -0.05 0.00 0.00 0.00 0.00 54.97 58.06 1wr2 s GLU 38 Cb -0.18 -3.15 0.00 0.00 2.00 0.00 0.00 34.13 32.81 1wr2 s GLU 38 CO 0.56 -0.71 0.11 -1.21 -0.56 0.00 0.00 175.26 173.45 1wr2 s GLU 39 N 1.31 0.29 0.04 4.30 2.02 -1.26 -4.44 118.70 120.96 1wr2 s GLU 39 Ca 0.73 -0.15 0.08 0.00 0.02 0.00 0.00 54.97 55.66 1wr2 s GLU 39 Cb -0.47 0.12 -0.03 0.00 0.10 0.00 0.00 34.13 33.85 1wr2 s GLU 39 CO 0.32 -0.06 -0.24 0.15 0.02 0.00 0.00 175.26 175.45 1wr2 s LYS 40 N -0.69 1.92 -0.49 1.61 3.01 -0.53 -4.96 119.74 119.61 1wr2 s LYS 40 Ca -0.08 -1.05 -0.17 0.00 -1.01 0.00 0.00 55.97 53.67 1wr2 s LYS 40 Cb -0.05 -2.05 0.07 0.00 -1.01 0.00 0.00 37.83 34.79 1wr2 s LYS 40 CO 0.01 0.53 0.47 -1.17 0.51 0.00 0.00 175.35 175.69 1wr2 s LEU 41 N -1.23 5.45 0.03 3.17 2.96 -1.26 -0.13 118.68 127.67 1wr2 s LEU 41 Ca 0.12 -1.23 -0.24 0.00 -0.22 0.00 0.00 54.13 52.56 1wr2 s LEU 41 Cb -0.10 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.27 1wr2 s LEU 41 CO 0.03 -0.73 0.74 0.00 -1.32 0.00 0.00 176.35 175.07 1wr2 s ALA 42 N 1.94 3.38 -0.39 5.97 0.00 0.60 -4.87 121.76 128.40 1wr2 s ALA 42 Ca 0.07 0.25 0.22 0.00 0.00 0.00 0.00 51.96 52.50 1wr2 s ALA 42 Cb -0.23 -2.97 -0.22 0.00 0.00 0.00 0.00 23.12 19.70 1wr2 s ALA 42 CO 0.08 0.07 0.72 1.63 0.00 0.00 0.00 175.76 178.25 1wr2 n LYS 43 N 2.84 0.43 -4.15 0.00 4.76 -1.26 -0.41 118.16 120.36 1wr2 n LYS 43 Ca -0.03 -0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.22 1wr2 n LYS 43 Cb 0.50 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 32.05 1wr2 n LYS 43 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1wr2 s THR 44 N -3.32 0.09 0.24 -0.18 -4.23 -1.26 -4.92 115.64 102.05 1wr2 s THR 44 Ca -0.02 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1wr2 s THR 44 Cb 0.14 -2.11 0.09 0.00 1.34 0.00 0.00 72.50 71.97 1wr2 s THR 44 CO 0.87 -0.39 1.72 0.25 -0.54 0.00 0.00 174.62 176.53 1wr2 h LEU 45 N 2.82 0.82 -0.48 4.79 5.85 -1.99 -1.57 115.31 125.55 1wr2 h LEU 45 Ca -0.35 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1wr2 h LEU 45 Cb 1.21 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1wr2 h LEU 45 CO 0.58 0.90 0.32 0.44 -0.34 0.00 0.00 178.44 180.34 1wr2 h ASP 46 N 0.78 0.56 -0.63 1.25 3.32 -1.99 -0.69 116.42 119.01 1wr2 h ASP 46 Ca 0.14 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1wr2 h ASP 46 Cb 0.51 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1wr2 h ASP 46 CO 0.03 0.41 0.41 -0.33 -1.72 0.00 0.00 179.24 178.03 1wr2 h GLU 47 N 0.65 0.80 -0.82 3.56 5.08 -1.87 -2.06 114.58 119.93 1wr2 h GLU 47 Ca 0.18 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1wr2 h GLU 47 Cb -0.07 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 1wr2 h GLU 47 CO -0.04 0.53 0.49 0.00 -1.00 0.00 0.00 179.01 178.99 1wr2 h ALA 48 N 1.24 1.04 -0.91 3.43 0.00 -0.79 -0.96 119.26 122.32 1wr2 h ALA 48 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1wr2 h ALA 48 Cb -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 1wr2 h ALA 48 CO -0.07 0.51 0.54 -0.07 0.00 0.00 0.00 179.25 180.16 1wr2 h LEU 49 N 1.12 1.10 0.22 0.00 3.38 -0.62 0.35 115.31 120.87 1wr2 h LEU 49 Ca 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1wr2 h LEU 49 Cb -0.03 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1wr2 h LEU 49 CO -0.05 0.85 -0.11 -0.33 0.09 0.00 0.00 178.44 178.89 1wr2 h GLU 50 N 1.26 -0.29 -0.66 1.13 5.08 -0.74 -2.53 114.58 117.83 1wr2 h GLU 50 Ca 0.33 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1wr2 h GLU 50 Cb -0.04 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1wr2 h GLU 50 CO -0.06 -0.02 0.44 1.88 -1.00 0.00 0.00 179.01 180.25 1wr2 h TYR 51 N -0.55 0.78 -0.06 4.33 0.05 -1.00 -0.11 116.97 120.41 1wr2 h TYR 51 Ca -0.03 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1wr2 h TYR 51 Cb 0.41 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 1wr2 h TYR 51 CO 0.01 0.47 0.03 0.00 -1.05 0.00 0.00 178.16 177.62 1wr2 h ALA 52 N 1.61 0.07 -0.59 3.88 0.00 -0.85 0.27 119.26 123.65 1wr2 h ALA 52 Ca 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1wr2 h ALA 52 Cb 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1wr2 h ALA 52 CO -0.07 -0.40 0.29 0.87 0.00 0.00 0.00 179.25 179.95 1wr2 h LYS 53 N 0.01 0.82 0.75 0.00 1.57 -0.98 0.35 116.57 119.10 1wr2 h LYS 53 Ca 0.02 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1wr2 h LYS 53 Cb 0.06 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.22 1wr2 h LYS 53 CO -0.00 0.63 -0.36 1.49 -0.57 0.00 0.00 179.45 180.64 1wr2 h GLU 54 N 0.83 -0.97 0.00 3.15 4.81 -0.29 -3.13 114.58 118.97 1wr2 h GLU 54 Ca 0.21 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1wr2 h GLU 54 Cb 0.07 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1wr2 h GLU 54 CO -0.03 -0.64 -0.10 0.44 -0.73 0.00 0.00 179.01 177.96 1wr2 n ILE 55 N -5.51 0.44 0.00 2.32 -5.35 0.01 -5.03 119.36 106.25 1wr2 n ILE 55 Ca -0.14 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1wr2 n ILE 55 Cb 0.41 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.82 1wr2 n ILE 55 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wr2 n GLY 56 N 1.35 -1.27 3.83 3.28 0.00 0.12 -5.00 105.19 107.50 1wr2 n GLY 56 Ca 0.06 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1wr2 n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wr2 s TYR 57 N -1.23 3.27 0.48 1.61 1.51 -1.25 -4.45 117.35 117.30 1wr2 s TYR 57 Ca 0.00 1.45 -0.19 0.00 -1.01 0.00 0.00 57.07 57.32 1wr2 s TYR 57 Cb 0.00 -2.87 -0.09 0.00 -0.11 0.00 0.00 41.96 38.89 1wr2 s TYR 57 CO 0.00 -0.78 0.99 -1.25 -1.11 0.00 0.00 175.55 173.41 1wr2 s PRO 58 N -4.34 3.95 0.38 -1.71 0.04 -1.26 -5.07 135.00 126.99 1wr2 s PRO 58 Ca 0.60 1.15 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1wr2 s PRO 58 Cb -0.13 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1wr2 s PRO 58 CO 0.39 -0.28 0.06 0.14 0.04 0.00 0.00 177.00 177.35 1wr2 s VAL 59 N -2.28 1.20 -0.03 -0.36 -7.23 -0.59 -3.39 120.40 107.73 1wr2 s VAL 59 Ca 0.63 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.86 1wr2 s VAL 59 Cb -0.12 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1wr2 s VAL 59 CO 0.22 0.00 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.11 1wr2 s VAL 60 N -3.13 2.48 -0.09 1.32 1.01 -0.05 -0.99 120.40 120.94 1wr2 s VAL 60 Ca 0.30 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1wr2 s VAL 60 Cb 0.07 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1wr2 s VAL 60 CO 0.14 0.56 -0.16 -0.76 0.00 0.00 0.00 175.10 174.88 1wr2 s LEU 61 N -0.72 2.56 -0.14 3.92 1.43 -0.09 -1.73 118.68 123.92 1wr2 s LEU 61 Ca 0.11 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1wr2 s LEU 61 Cb -0.10 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.63 1wr2 s LEU 61 CO 0.00 0.23 0.05 -0.54 0.23 0.00 0.00 176.35 176.31 1wr2 s LYS 62 N -0.04 0.38 0.15 1.70 1.02 -0.47 -0.45 119.74 122.03 1wr2 s LYS 62 Ca -0.04 -0.09 -0.31 0.00 0.02 0.00 0.00 55.97 55.55 1wr2 s LYS 62 Cb -0.14 -1.55 -0.08 0.00 -0.52 0.00 0.00 37.83 35.54 1wr2 s LYS 62 CO 0.04 -0.53 1.36 -1.17 -0.92 0.00 0.00 175.35 174.14 1wr2 s LEU 63 N 2.01 4.39 -0.25 3.17 0.20 -0.41 -0.35 118.68 127.43 1wr2 s LEU 63 Ca 0.02 2.38 -0.10 0.00 0.69 0.00 0.00 54.13 57.12 1wr2 s LEU 63 Cb -0.15 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 41.97 1wr2 s LEU 63 CO -0.07 -0.61 0.15 -0.04 -0.29 0.00 0.00 176.35 175.49 1wr2 s MET 64 N 0.57 3.94 -0.27 1.98 -1.94 0.39 -4.91 119.30 119.05 1wr2 s MET 64 Ca 0.61 -0.34 -0.15 0.00 -1.71 0.00 0.00 55.69 54.11 1wr2 s MET 64 Cb -0.37 -3.52 0.08 0.00 2.01 0.00 0.00 34.83 33.03 1wr2 s MET 64 CO 0.34 -0.07 0.65 0.45 -0.01 0.00 0.00 175.02 176.39 1wr2 s SER 65 N 1.39 -0.91 0.64 3.03 0.15 -1.26 -1.02 113.70 115.72 1wr2 s SER 65 Ca 0.07 1.45 0.40 0.00 0.70 0.00 0.00 55.95 58.57 1wr2 s SER 65 Cb -0.15 1.40 2.19 0.00 -1.71 0.00 0.00 66.02 67.75 1wr2 s SER 65 CO 0.07 -0.23 2.31 -0.65 1.20 0.00 0.00 173.24 175.93 1wr2 h PRO 66 N 7.11 0.00 0.00 5.44 0.11 -1.93 -0.82 132.00 141.91 1wr2 h PRO 66 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1wr2 h PRO 66 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wr2 h PRO 66 CO 0.17 0.01 -0.58 1.04 -0.21 0.00 0.00 178.00 178.43 1wr2 n GLN 67 N -3.25 0.15 -3.64 1.05 3.00 -1.26 -4.46 117.38 108.96 1wr2 n GLN 67 Ca -0.03 0.04 -0.27 0.00 -0.01 0.00 0.00 57.00 56.73 1wr2 n GLN 67 Cb 0.10 -1.59 -0.10 0.00 0.00 0.00 0.00 30.24 28.65 1wr2 n GLN 67 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1wr2 n ILE 68 N -1.80 1.37 0.12 5.09 5.41 -0.31 -4.91 119.36 124.33 1wr2 n ILE 68 Ca 0.04 -4.75 -0.20 0.00 1.00 0.00 0.00 62.75 58.84 1wr2 n ILE 68 Cb 0.39 -2.08 -0.14 0.00 -0.71 0.00 0.00 39.64 37.10 1wr2 n ILE 68 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1wr2 h LEU 69 N 4.94 0.65 -7.60 1.39 3.38 -1.78 -3.39 115.31 112.90 1wr2 h LEU 69 Ca 0.17 -0.67 -0.73 0.00 0.09 0.00 0.00 57.88 56.74 1wr2 h LEU 69 Cb 0.75 -0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.13 1wr2 h LEU 69 CO 0.70 1.51 1.53 1.57 0.09 0.00 0.00 178.44 183.84 1wr2 n HIS 70 N -3.65 4.74 -0.24 1.13 -0.00 -1.26 -4.86 115.22 111.08 1wr2 n HIS 70 Ca -0.12 -3.25 0.03 0.00 0.46 0.00 0.00 57.72 54.83 1wr2 n HIS 70 Cb 1.03 -2.22 0.15 0.00 -0.12 0.00 0.00 29.99 28.83 1wr2 n HIS 70 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 1wr2 h LYS 71 N 7.03 0.45 -0.60 1.57 1.57 -1.95 -2.21 116.57 122.44 1wr2 h LYS 71 Ca 0.34 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1wr2 h LYS 71 Cb 0.85 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1wr2 h LYS 71 CO 1.31 0.30 0.20 0.66 -0.57 0.00 0.00 179.45 181.35 1wr2 h SER 72 N 0.47 0.82 -0.57 0.86 4.64 -1.95 0.15 113.55 117.96 1wr2 h SER 72 Ca 0.36 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1wr2 h SER 72 Cb 0.48 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1wr2 h SER 72 CO -0.34 0.76 0.30 -0.78 -0.87 0.00 0.00 176.83 175.89 1wr2 h ASP 73 N 0.87 0.73 1.23 4.97 3.58 -1.82 -2.60 116.42 123.38 1wr2 h ASP 73 Ca 0.20 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1wr2 h ASP 73 Cb 0.22 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1wr2 h ASP 73 CO -0.01 0.63 -0.18 0.00 -2.88 0.00 0.00 179.24 176.80 1wr2 n ALA 74 N -2.32 2.50 -3.19 -0.78 0.00 -1.01 -4.95 120.51 110.76 1wr2 n ALA 74 Ca 0.03 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 1wr2 n ALA 74 Cb 0.10 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 18.24 1wr2 n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wr2 n LYS 75 N -2.11 -5.50 -0.39 0.00 5.02 0.49 -4.58 118.16 111.08 1wr2 n LYS 75 Ca 0.05 0.67 0.08 0.00 -2.02 0.00 0.00 58.31 57.08 1wr2 n LYS 75 Cb 0.42 -5.16 0.24 0.00 -0.02 0.00 0.00 35.03 30.51 1wr2 n LYS 75 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1wr2 n VAL 76 N -3.73 1.84 -4.27 -0.18 0.24 -0.95 -4.69 118.33 106.60 1wr2 n VAL 76 Ca -0.17 -1.52 -0.33 0.00 -2.04 0.00 0.00 64.34 60.29 1wr2 n VAL 76 Cb 0.61 0.03 -0.16 0.00 -1.47 0.00 0.00 33.84 32.85 1wr2 n VAL 76 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1wr2 s VAL 77 N -2.14 2.03 -0.11 3.34 1.01 -1.26 -1.29 120.40 121.98 1wr2 s VAL 77 Ca 0.37 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1wr2 s VAL 77 Cb 0.27 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1wr2 s VAL 77 CO 0.13 0.54 -0.23 -0.04 0.00 0.00 0.00 175.10 175.50 1wr2 s MET 78 N 1.17 3.08 0.42 2.72 1.00 0.40 -4.98 119.30 123.10 1wr2 s MET 78 Ca 0.02 -0.86 0.08 0.00 0.00 0.00 0.00 55.69 54.93 1wr2 s MET 78 Cb -0.14 -2.35 -0.00 0.00 0.00 0.00 0.00 34.83 32.34 1wr2 s MET 78 CO -0.10 0.15 0.49 -0.51 0.00 0.00 0.00 175.02 175.05 1wr2 s LEU 79 N 0.41 3.55 -1.28 -0.03 1.43 -1.26 -0.91 118.68 120.59 1wr2 s LEU 79 Ca -0.17 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.29 1wr2 s LEU 79 Cb -0.17 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1wr2 s LEU 79 CO 0.07 -0.71 0.17 -3.20 0.23 0.00 0.00 176.35 172.91 1wr2 n ASN 80 N -1.72 -0.40 -4.61 2.29 5.15 -1.20 -4.88 115.26 109.89 1wr2 n ASN 80 Ca 0.06 -1.14 -0.43 0.00 -0.60 0.00 0.00 54.58 52.47 1wr2 n ASN 80 Cb 0.60 -1.40 -0.02 0.00 -0.53 0.00 0.00 39.78 38.43 1wr2 n ASN 80 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1wr2 s ILE 81 N -4.08 4.16 -0.25 -1.44 1.01 -0.16 -4.84 121.20 115.60 1wr2 s ILE 81 Ca 0.12 1.23 0.18 0.00 0.00 0.00 0.00 60.65 62.18 1wr2 s ILE 81 Cb -0.07 -4.42 0.13 0.00 0.01 0.00 0.00 42.46 38.11 1wr2 s ILE 81 CO 0.88 -0.80 1.42 0.11 0.00 0.00 0.00 174.94 176.54 1wr2 h LYS 82 N 9.45 0.00 -3.68 2.79 1.57 -1.89 -1.56 116.57 123.24 1wr2 h LYS 82 Ca -0.24 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.35 1wr2 h LYS 82 Cb 1.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 1wr2 h LYS 82 CO 1.09 0.29 0.01 0.54 -0.57 0.00 0.00 179.45 180.81 1wr2 s ASN 83 N -6.25 0.63 0.26 0.86 2.20 -1.26 -4.72 114.94 106.67 1wr2 s ASN 83 Ca 0.04 -1.40 -0.04 0.00 -0.94 0.00 0.00 52.86 50.52 1wr2 s ASN 83 Cb 0.07 0.76 0.31 0.00 -2.00 0.00 0.00 41.25 40.39 1wr2 s ASN 83 CO 0.73 -1.49 1.84 -0.08 -2.94 0.00 0.00 177.10 175.16 1wr2 h GLU 84 N 2.04 1.05 -0.37 3.55 4.81 -1.99 -1.23 114.58 122.45 1wr2 h GLU 84 Ca -0.30 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 1wr2 h GLU 84 Cb 1.24 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1wr2 h GLU 84 CO 0.40 0.83 -0.01 0.93 -0.73 0.00 0.00 179.01 180.43 1wr2 h GLU 85 N 1.04 0.66 -0.19 1.92 3.07 -2.00 -1.96 114.58 117.12 1wr2 h GLU 85 Ca 0.25 -0.22 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 1wr2 h GLU 85 Cb 0.15 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1wr2 h GLU 85 CO -0.03 0.77 -0.29 1.49 -1.40 0.00 0.00 179.01 179.55 1wr2 h GLU 86 N 0.47 0.37 -0.44 2.33 4.81 -1.94 -2.65 114.58 117.53 1wr2 h GLU 86 Ca 0.10 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1wr2 h GLU 86 Cb 0.48 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1wr2 h GLU 86 CO 0.02 0.63 -0.18 1.25 -0.73 0.00 0.00 179.01 180.00 1wr2 h LEU 87 N 0.32 0.85 -1.03 1.64 6.46 -1.04 -0.54 115.31 121.99 1wr2 h LEU 87 Ca 0.04 -0.30 -0.07 0.00 -0.12 0.00 0.00 57.88 57.44 1wr2 h LEU 87 Cb 0.69 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1wr2 h LEU 87 CO 0.05 1.02 -0.03 0.11 -0.62 0.00 0.00 178.44 178.97 1wr2 h LYS 88 N 0.74 0.65 0.17 1.25 1.57 -1.10 -0.49 116.57 119.37 1wr2 h LYS 88 Ca 0.11 -0.17 -0.30 0.00 -1.87 0.00 0.00 60.65 58.42 1wr2 h LYS 88 Cb 0.71 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.96 1wr2 h LYS 88 CO 0.05 0.70 -1.33 1.57 -0.57 0.00 0.00 179.45 179.87 1wr2 h LYS 89 N 0.61 0.38 0.00 3.15 2.10 -1.26 -3.06 116.57 118.50 1wr2 h LYS 89 Ca 0.12 -0.65 -0.08 0.00 -2.00 0.00 0.00 60.65 58.05 1wr2 h LYS 89 Cb 0.44 0.24 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1wr2 h LYS 89 CO 0.02 1.31 -0.37 0.87 -2.00 0.00 0.00 179.45 179.27 1wr2 h LYS 90 N 0.11 0.00 -0.52 0.07 1.79 -0.99 -1.18 116.57 115.85 1wr2 h LYS 90 Ca -0.18 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.19 1wr2 h LYS 90 Cb 2.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.67 1wr2 h LYS 90 CO 0.23 0.37 -0.05 2.35 -1.08 0.00 0.00 179.45 181.28 1wr2 h TRP 91 N 0.00 1.05 -0.35 -1.35 2.91 -1.12 -1.99 115.95 115.11 1wr2 h TRP 91 Ca -0.00 -0.20 -0.09 0.00 1.13 0.00 0.00 58.89 59.72 1wr2 h TRP 91 Cb 0.88 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 1wr2 h TRP 91 CO 0.00 0.98 -0.15 0.93 -1.03 0.00 0.00 178.44 179.17 1wr2 h GLU 92 N 0.82 0.72 0.25 2.65 5.08 -1.35 -3.10 114.58 119.65 1wr2 h GLU 92 Ca 0.14 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1wr2 h GLU 92 Cb 0.59 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1wr2 h GLU 92 CO 0.04 0.91 -0.30 0.93 -1.00 0.00 0.00 179.01 179.59 1wr2 h GLU 93 N 0.50 -0.57 -0.47 2.33 5.08 -1.04 -1.84 114.58 118.57 1wr2 h GLU 93 Ca 0.08 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1wr2 h GLU 93 Cb 0.68 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1wr2 h GLU 93 CO 0.05 -0.38 0.31 -0.84 -1.00 0.00 0.00 179.01 177.15 1wr2 h ILE 94 N -0.60 1.04 -0.21 3.13 3.07 -1.43 0.19 117.51 122.70 1wr2 h ILE 94 Ca -0.00 -0.18 -0.14 0.00 1.55 0.00 0.00 64.86 66.09 1wr2 h ILE 94 Cb 0.56 0.48 -0.01 0.00 -0.27 0.00 0.00 36.82 37.59 1wr2 h ILE 94 CO -0.09 0.09 -0.45 0.45 -1.05 0.00 0.00 178.15 177.10 1wr2 h HIS 95 N 0.51 0.64 -0.16 0.16 3.86 -1.42 -0.77 115.15 117.97 1wr2 h HIS 95 Ca 0.19 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1wr2 h HIS 95 Cb 0.12 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1wr2 h HIS 95 CO -0.00 0.89 -0.06 0.93 0.86 0.00 0.00 177.93 180.55 1wr2 h GLU 96 N 0.42 0.32 -0.51 2.45 5.08 -0.27 -1.57 114.58 120.50 1wr2 h GLU 96 Ca 0.03 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1wr2 h GLU 96 Cb 0.96 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1wr2 h GLU 96 CO 0.09 0.62 0.30 -0.91 -1.00 0.00 0.00 179.01 178.10 1wr2 h ASN 97 N 0.01 0.60 0.42 1.42 2.35 -0.59 -1.05 115.58 118.74 1wr2 h ASN 97 Ca 0.04 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1wr2 h ASN 97 Cb 0.51 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1wr2 h ASN 97 CO 0.02 0.47 -0.61 0.00 -1.65 0.00 0.00 177.43 175.66 1wr2 h ALA 98 N 1.63 0.87 -0.46 -0.83 0.00 -0.99 -2.12 119.26 117.37 1wr2 h ALA 98 Ca 0.18 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1wr2 h ALA 98 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1wr2 h ALA 98 CO -0.03 0.74 -0.21 -0.22 0.00 0.00 0.00 179.25 179.52 1wr2 h LYS 99 N 0.14 0.93 -0.03 0.00 1.63 -0.19 -0.70 116.57 118.35 1wr2 h LYS 99 Ca -0.01 -0.39 -0.16 0.00 -0.85 0.00 0.00 60.65 59.25 1wr2 h LYS 99 Cb 1.11 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1wr2 h LYS 99 CO 0.09 1.04 -0.72 0.87 -3.45 0.00 0.00 179.45 177.29 1wr2 h LYS 100 N 0.80 0.15 0.03 1.90 1.57 -1.26 -2.63 116.57 117.13 1wr2 h LYS 100 Ca 0.11 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1wr2 h LYS 100 Cb 0.77 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1wr2 h LYS 100 CO 0.06 0.80 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.81 1wr2 h TYR 101 N 0.10 -0.04 -1.92 -1.35 3.20 -1.19 -3.43 116.97 112.34 1wr2 h TYR 101 Ca -0.02 -0.00 -0.38 0.00 3.14 0.00 0.00 58.73 61.47 1wr2 h TYR 101 Cb 1.27 0.01 -0.31 0.00 1.54 0.00 0.00 36.73 39.24 1wr2 h TYR 101 CO 0.02 0.61 -0.71 1.03 -1.64 0.00 0.00 178.16 177.47 1wr2 s ARG 102 N -3.31 0.71 0.45 1.82 1.81 -0.29 -5.02 118.95 115.13 1wr2 s ARG 102 Ca -0.16 -1.05 0.28 0.00 -1.72 0.00 0.00 55.73 53.08 1wr2 s ARG 102 Cb -0.00 -0.76 1.53 0.00 -0.45 0.00 0.00 34.95 35.26 1wr2 s ARG 102 CO 0.63 -1.23 1.85 -1.00 -0.68 0.00 0.00 175.30 174.86 1wr2 h PRO 103 N 6.70 0.00 -0.73 3.54 0.13 -1.61 -1.11 132.00 138.92 1wr2 h PRO 103 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1wr2 h PRO 103 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1wr2 h PRO 103 CO 0.20 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.57 1wr2 n ASP 104 N -2.52 4.02 -4.77 1.44 5.75 -1.26 -4.99 116.55 114.21 1wr2 n ASP 104 Ca -0.02 -2.04 -0.41 0.00 -0.01 0.00 0.00 54.79 52.31 1wr2 n ASP 104 Cb 0.10 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 1wr2 n ASP 104 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wr2 s ALA 105 N -1.09 3.54 -0.15 2.12 0.00 -0.42 -4.99 121.76 120.76 1wr2 s ALA 105 Ca 0.49 1.36 -0.25 0.00 0.00 0.00 0.00 51.96 53.56 1wr2 s ALA 105 Cb 0.26 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1wr2 s ALA 105 CO 0.33 -0.77 0.83 -2.00 0.00 0.00 0.00 175.76 174.14 1wr2 s GLU 106 N -1.71 4.32 -0.39 0.00 2.12 -1.26 -5.01 118.70 116.76 1wr2 s GLU 106 Ca 0.51 1.02 -0.16 0.00 0.36 0.00 0.00 54.97 56.71 1wr2 s GLU 106 Cb -0.42 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.42 1wr2 s GLU 106 CO 0.55 -0.28 0.37 0.42 -0.54 0.00 0.00 175.26 175.78 1wr2 s ILE 107 N 1.98 5.16 -0.64 -3.70 -1.09 -1.26 -4.04 121.20 117.61 1wr2 s ILE 107 Ca 0.39 -0.32 0.25 0.00 -2.23 0.00 0.00 60.65 58.74 1wr2 s ILE 107 Cb -0.17 -3.93 0.21 0.00 -1.58 0.00 0.00 42.46 36.99 1wr2 s ILE 107 CO 0.14 -0.28 1.58 -0.07 -1.23 0.00 0.00 174.94 175.07 1wr2 h LEU 108 N 8.83 0.00 0.00 2.97 3.38 -1.47 -3.50 115.31 125.53 1wr2 h LEU 108 Ca -0.28 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1wr2 h LEU 108 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1wr2 h LEU 108 CO 0.74 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.91 1wr2 n GLY 109 N 1.28 0.93 3.05 0.83 0.00 -1.22 -4.88 105.19 105.18 1wr2 n GLY 109 Ca 0.04 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 1wr2 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wr2 s VAL 110 N -1.95 1.39 -0.11 1.61 1.01 0.45 -0.46 120.40 122.33 1wr2 s VAL 110 Ca 0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 1wr2 s VAL 110 Cb 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1wr2 s VAL 110 CO 0.00 0.42 0.94 -0.22 0.00 0.00 0.00 175.10 176.24 1wr2 s LEU 111 N 0.82 4.24 -0.31 3.92 2.96 0.52 -0.29 118.68 130.55 1wr2 s LEU 111 Ca -0.11 1.43 -0.08 0.00 -0.22 0.00 0.00 54.13 55.15 1wr2 s LEU 111 Cb -0.15 -3.45 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1wr2 s LEU 111 CO 0.01 -0.41 0.12 -0.69 -1.32 0.00 0.00 176.35 174.06 1wr2 s VAL 112 N 1.93 4.26 0.34 1.68 1.01 0.81 -1.37 120.40 129.07 1wr2 s VAL 112 Ca 0.45 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1wr2 s VAL 112 Cb -0.18 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1wr2 s VAL 112 CO 0.17 0.06 0.07 0.00 0.00 0.00 0.00 175.10 175.39 1wr2 s ALA 113 N 1.55 2.46 0.49 5.51 0.00 -0.70 -1.45 121.76 129.62 1wr2 s ALA 113 Ca 0.03 -1.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.03 1wr2 s ALA 113 Cb -0.17 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1wr2 s ALA 113 CO 0.04 -0.31 0.78 -1.25 0.00 0.00 0.00 175.76 175.03 1wr2 s PRO 114 N -3.87 3.39 -0.70 0.00 0.04 -1.26 -0.88 135.00 131.72 1wr2 s PRO 114 Ca 0.34 0.08 -0.23 0.00 0.04 0.00 0.00 61.00 61.24 1wr2 s PRO 114 Cb 0.08 -2.39 0.07 0.00 0.04 0.00 0.00 34.50 32.30 1wr2 s PRO 114 CO 0.15 -0.28 1.05 -1.64 0.04 0.00 0.00 177.00 176.32 1wr2 s MET 115 N -4.75 3.17 0.42 4.56 -1.94 -1.22 -4.64 119.30 114.90 1wr2 s MET 115 Ca 0.48 -0.80 -0.24 0.00 -1.71 0.00 0.00 55.69 53.42 1wr2 s MET 115 Cb -0.10 -4.30 -0.08 0.00 2.01 0.00 0.00 34.83 32.35 1wr2 s MET 115 CO 0.44 -1.89 1.12 -0.51 -0.01 0.00 0.00 175.02 174.18 1wr2 s LEU 116 N 4.30 4.12 0.10 -0.03 1.43 -1.26 -4.97 118.68 122.37 1wr2 s LEU 116 Ca 0.26 2.22 -0.31 0.00 -1.03 0.00 0.00 54.13 55.27 1wr2 s LEU 116 Cb -0.14 -4.15 -0.08 0.00 0.03 0.00 0.00 46.19 41.85 1wr2 s LEU 116 CO 0.09 -0.68 1.53 -0.75 0.23 0.00 0.00 176.35 176.77 1wr2 s LYS 117 N -2.49 4.24 0.71 1.70 2.20 -1.26 -4.95 119.74 119.90 1wr2 s LYS 117 Ca 0.59 2.23 -0.15 0.00 -0.36 0.00 0.00 55.97 58.28 1wr2 s LYS 117 Cb -0.27 -3.36 0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1wr2 s LYS 117 CO 0.33 -0.60 1.21 -1.25 -0.36 0.00 0.00 175.35 174.68 1wr2 s PRO 118 N 1.72 2.25 0.06 4.03 0.04 -1.26 -5.02 135.00 136.83 1wr2 s PRO 118 Ca 0.69 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.48 1wr2 s PRO 118 Cb -0.39 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1wr2 s PRO 118 CO 0.31 -1.75 0.10 0.41 0.04 0.00 0.00 177.00 176.11 1wr2 n GLY 119 N 0.38 2.44 3.67 0.56 0.00 -1.26 -4.99 105.19 105.98 1wr2 n GLY 119 Ca 0.13 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1wr2 n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wr2 s ARG 120 N -2.08 4.17 -0.05 1.61 6.06 -0.05 -4.56 118.95 124.06 1wr2 s ARG 120 Ca 0.04 2.34 -0.30 0.00 -2.50 0.00 0.00 55.73 55.31 1wr2 s ARG 120 Cb -0.00 -3.95 -0.03 0.00 0.06 0.00 0.00 34.95 31.03 1wr2 s ARG 120 CO 0.03 -0.85 1.07 -1.21 -2.50 0.00 0.00 175.30 171.83 1wr2 s GLU 121 N 3.85 4.44 0.22 5.12 2.02 -1.26 -0.26 118.70 132.83 1wr2 s GLU 121 Ca 0.78 1.50 0.02 0.00 0.02 0.00 0.00 54.97 57.29 1wr2 s GLU 121 Cb -0.37 -3.51 -0.05 0.00 0.10 0.00 0.00 34.13 30.30 1wr2 s GLU 121 CO 0.33 -0.28 0.03 0.14 0.02 0.00 0.00 175.26 175.51 1wr2 s VAL 122 N 1.73 0.75 -0.02 2.63 -7.23 -0.67 -0.75 120.40 116.84 1wr2 s VAL 122 Ca 0.52 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1wr2 s VAL 122 Cb -0.22 -2.35 0.01 0.00 0.56 0.00 0.00 36.38 34.38 1wr2 s VAL 122 CO 0.22 -0.28 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.07 1wr2 s ILE 123 N -3.61 0.36 -0.19 -0.62 1.01 0.42 -2.67 121.20 115.90 1wr2 s ILE 123 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.86 1wr2 s ILE 123 Cb 0.07 -0.37 0.03 0.00 0.01 0.00 0.00 42.46 42.19 1wr2 s ILE 123 CO 0.08 0.15 -0.19 -0.63 0.00 0.00 0.00 174.94 174.36 1wr2 s ILE 124 N 0.46 2.08 0.24 2.92 1.01 -0.99 -2.52 121.20 124.41 1wr2 s ILE 124 Ca -0.05 -1.04 0.11 0.00 0.00 0.00 0.00 60.65 59.66 1wr2 s ILE 124 Cb -0.09 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 1wr2 s ILE 124 CO -0.00 0.45 -0.15 -0.83 0.00 0.00 0.00 174.94 174.41 1wr2 s GLY 125 N 1.26 1.78 -0.03 6.18 0.00 -0.57 -0.34 107.32 115.60 1wr2 s GLY 125 Ca 0.03 -1.72 -0.00 0.00 0.00 0.00 0.00 44.72 43.03 1wr2 s GLY 125 CO -0.12 -1.78 0.04 0.14 0.00 0.00 0.00 173.10 171.39 1wr2 s VAL 126 N -2.16 -0.06 0.17 1.40 1.01 0.95 0.37 120.40 122.07 1wr2 s VAL 126 Ca 0.27 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1wr2 s VAL 126 Cb -0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 1wr2 s VAL 126 CO 0.15 0.09 0.01 0.42 0.00 0.00 0.00 175.10 175.77 1wr2 s THR 127 N 1.17 0.62 -0.14 3.92 -4.23 -0.86 -1.19 115.64 114.93 1wr2 s THR 127 Ca -0.08 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1wr2 s THR 127 Cb -0.13 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.59 1wr2 s THR 127 CO -0.03 -0.45 -0.20 -0.70 -0.54 0.00 0.00 174.62 172.69 1wr2 s GLU 128 N -3.93 2.86 0.11 3.99 2.12 -1.18 -0.51 118.70 122.16 1wr2 s GLU 128 Ca 0.25 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.66 1wr2 s GLU 128 Cb 0.06 -2.36 -0.06 0.00 0.26 0.00 0.00 34.13 32.03 1wr2 s GLU 128 CO 0.04 -0.06 0.47 0.34 -0.54 0.00 0.00 175.26 175.51 1wr2 s ASP 129 N 0.94 6.74 0.34 -1.70 2.15 0.17 -4.93 116.67 120.38 1wr2 s ASP 129 Ca -0.05 0.94 0.03 0.00 0.43 0.00 0.00 52.55 53.90 1wr2 s ASP 129 Cb -0.15 -2.24 0.62 0.00 -0.30 0.00 0.00 42.92 40.86 1wr2 s ASP 129 CO -0.04 0.14 1.96 -0.65 -0.17 0.00 0.00 175.17 176.41 1wr2 h PRO 130 N 3.68 0.87 0.01 4.34 0.11 -2.00 -1.96 132.00 137.04 1wr2 h PRO 130 Ca -0.49 -0.05 -0.37 0.00 0.11 0.00 0.00 66.00 65.20 1wr2 h PRO 130 Cb 1.19 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 32.04 1wr2 h PRO 130 CO 0.66 0.58 -2.36 1.04 -0.21 0.00 0.00 178.00 177.70 1wr2 n GLN 131 N -4.46 0.67 0.00 1.05 3.00 -1.26 -4.68 117.38 111.70 1wr2 n GLN 131 Ca 0.10 0.08 0.08 0.00 -0.01 0.00 0.00 57.00 57.25 1wr2 n GLN 131 Cb 0.15 -1.55 0.04 0.00 0.00 0.00 0.00 30.24 28.88 1wr2 n GLN 131 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1wr2 n PHE 132 N -2.99 0.00 -3.64 1.08 3.72 -1.23 -5.11 117.46 109.29 1wr2 n PHE 132 Ca -0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 1wr2 n PHE 132 Cb 1.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.62 1wr2 n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wr2 n GLY 133 N 1.02 -1.15 3.77 1.37 0.00 -0.74 -4.86 105.19 104.61 1wr2 n GLY 133 Ca 0.09 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 1wr2 n GLY 133 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wr2 s HIS 134 N 0.00 3.47 0.03 1.61 3.76 -1.26 0.42 115.29 123.32 1wr2 s HIS 134 Ca 0.00 1.70 0.04 0.00 -0.15 0.00 0.00 55.06 56.65 1wr2 s HIS 134 Cb 0.00 -3.13 -0.02 0.00 1.11 0.00 0.00 32.58 30.54 1wr2 s HIS 134 CO 0.00 -0.41 -0.11 0.00 -0.85 0.00 0.00 174.74 173.37 1wr2 s ALA 135 N -1.47 0.93 -0.09 -1.40 0.00 0.34 -1.36 121.76 118.70 1wr2 s ALA 135 Ca 0.52 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 1wr2 s ALA 135 Cb -0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1wr2 s ALA 135 CO 0.31 0.17 -0.07 -1.50 0.00 0.00 0.00 175.76 174.67 1wr2 s ILE 136 N -0.74 3.69 0.16 0.00 2.07 -0.19 -2.03 121.20 124.16 1wr2 s ILE 136 Ca 0.00 -0.47 0.11 0.00 -1.41 0.00 0.00 60.65 58.89 1wr2 s ILE 136 Cb -0.07 -2.54 -0.04 0.00 0.13 0.00 0.00 42.46 39.94 1wr2 s ILE 136 CO 0.01 0.57 -0.25 -0.04 -1.91 0.00 0.00 174.94 173.31 1wr2 s MET 137 N -0.43 1.48 -0.01 3.50 -1.94 0.16 -1.55 119.30 120.51 1wr2 s MET 137 Ca 0.06 -1.42 -0.02 0.00 -1.71 0.00 0.00 55.69 52.60 1wr2 s MET 137 Cb -0.12 -1.89 -0.00 0.00 2.01 0.00 0.00 34.83 34.83 1wr2 s MET 137 CO 0.02 0.43 0.05 0.12 -0.01 0.00 0.00 175.02 175.63 1wr2 s PHE 138 N -1.35 0.02 -0.13 -0.03 5.36 -0.44 -1.51 117.98 119.89 1wr2 s PHE 138 Ca 0.17 -0.02 -0.34 0.00 -0.96 0.00 0.00 56.93 55.78 1wr2 s PHE 138 Cb -0.09 -0.03 0.14 0.00 -0.34 0.00 0.00 43.02 42.70 1wr2 s PHE 138 CO 0.08 -0.09 1.34 0.20 -1.46 0.00 0.00 175.22 175.29 1wr2 s GLY 139 N -0.44 -0.37 0.60 13.12 0.00 -1.05 -1.12 107.32 118.06 1wr2 s GLY 139 Ca -0.05 1.21 -0.15 0.00 0.00 0.00 0.00 44.72 45.73 1wr2 s GLY 139 CO 0.00 0.33 1.06 1.08 0.00 0.00 0.00 173.10 175.56 1wr2 s LEU 140 N -2.62 3.47 0.00 0.66 1.43 -1.26 -0.44 118.68 119.92 1wr2 s LEU 140 Ca 0.13 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1wr2 s LEU 140 Cb 0.03 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.72 1wr2 s LEU 140 CO -0.05 -1.17 0.00 0.61 0.23 0.00 0.00 176.35 175.98 1wr2 n GLY 141 N -1.07 1.68 0.00 -3.19 0.00 0.07 -4.59 105.19 98.09 1wr2 n GLY 141 Ca 0.09 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1wr2 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wr2 n GLY 142 N 5.00 0.72 0.04 -0.02 0.00 -1.26 -4.56 105.19 105.11 1wr2 n GLY 142 Ca 0.00 -2.22 0.13 0.00 0.00 0.00 0.00 46.02 43.93 1wr2 n GLY 142 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wr2 n ILE 143 N -0.44 0.00 -1.25 -0.61 -5.35 -1.26 -3.84 119.36 106.61 1wr2 n ILE 143 Ca 0.00 -0.02 -0.04 0.00 -0.27 0.00 0.00 62.75 62.42 1wr2 n ILE 143 Cb 0.00 0.04 0.23 0.00 -1.74 0.00 0.00 39.64 38.17 1wr2 n ILE 143 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1wr2 n PHE 144 N -1.34 1.52 -0.28 4.28 3.72 -1.26 -4.66 117.46 119.44 1wr2 n PHE 144 Ca 0.08 -1.40 -0.06 0.00 -0.05 0.00 0.00 57.45 56.01 1wr2 n PHE 144 Cb 0.33 -0.54 0.06 0.00 -0.94 0.00 0.00 39.48 38.39 1wr2 n PHE 144 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1wr2 h VAL 145 N 1.42 1.26 0.00 -4.37 3.04 -1.81 -1.10 116.25 114.70 1wr2 h VAL 145 Ca 0.23 -0.85 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 1wr2 h VAL 145 Cb 1.88 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1wr2 h VAL 145 CO 0.50 0.34 -0.24 1.05 -1.01 0.00 0.00 177.57 178.21 1wr2 h GLU 146 N 1.11 0.00 0.19 4.17 4.11 -1.91 -2.33 114.58 119.92 1wr2 h GLU 146 Ca 0.25 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.37 1wr2 h GLU 146 Cb 0.26 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.52 1wr2 h GLU 146 CO -0.02 0.24 -1.45 0.82 0.07 0.00 0.00 179.01 178.67 1wr2 h ILE 147 N 0.00 1.15 0.00 -1.06 2.04 -1.81 -3.34 117.51 114.50 1wr2 h ILE 147 Ca -0.00 -2.55 -0.09 0.00 1.00 0.00 0.00 64.86 63.21 1wr2 h ILE 147 Cb 0.80 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.78 1wr2 h ILE 147 CO 0.03 0.79 -0.44 -0.07 0.00 0.00 0.00 178.15 178.47 1wr2 h LEU 148 N -0.04 0.00 -3.44 1.44 3.38 -1.20 -3.47 115.31 111.97 1wr2 h LEU 148 Ca -0.28 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.15 1wr2 h LEU 148 Cb 1.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1wr2 h LEU 148 CO 0.18 0.44 -0.98 0.29 0.09 0.00 0.00 178.44 178.46 1wr2 n LYS 149 N -3.57 -0.80 -3.76 1.13 5.02 -0.88 -4.92 118.16 110.38 1wr2 n LYS 149 Ca -0.00 0.22 -0.29 0.00 -2.02 0.00 0.00 58.31 56.22 1wr2 n LYS 149 Cb 0.54 -3.24 -0.12 0.00 -0.02 0.00 0.00 35.03 32.19 1wr2 n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1wr2 s ASP 150 N -3.62 3.77 0.02 4.39 2.15 -1.26 -5.08 116.67 117.03 1wr2 s ASP 150 Ca 0.42 -3.24 0.03 0.00 0.43 0.00 0.00 52.55 50.19 1wr2 s ASP 150 Cb -0.20 -1.23 -0.01 0.00 -0.30 0.00 0.00 42.92 41.17 1wr2 s ASP 150 CO 0.93 -0.17 -0.08 0.68 -0.17 0.00 0.00 175.17 176.36 1wr2 s VAL 151 N -0.50 0.65 0.27 1.11 -7.23 -1.26 -4.26 120.40 109.18 1wr2 s VAL 151 Ca 0.23 -0.63 0.10 0.00 -1.81 0.00 0.00 61.98 59.87 1wr2 s VAL 151 Cb -0.11 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 1wr2 s VAL 151 CO -0.10 -0.01 -0.05 0.42 -0.31 0.00 0.00 175.10 175.04 1wr2 s THR 152 N -0.61 3.17 0.20 5.32 -4.23 -0.28 -4.95 115.64 114.27 1wr2 s THR 152 Ca -0.01 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.43 1wr2 s THR 152 Cb -0.06 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 1wr2 s THR 152 CO 0.00 -0.37 0.22 0.72 -0.54 0.00 0.00 174.62 174.65 1wr2 s PHE 153 N -2.38 0.88 0.01 3.99 -0.12 -1.26 -1.33 117.98 117.77 1wr2 s PHE 153 Ca 0.31 -1.16 -0.25 0.00 -0.05 0.00 0.00 56.93 55.79 1wr2 s PHE 153 Cb -0.06 -0.34 0.06 0.00 -0.63 0.00 0.00 43.02 42.05 1wr2 s PHE 153 CO 0.19 -0.72 0.55 0.50 -0.05 0.00 0.00 175.22 175.70 1wr2 s ARG 154 N -4.10 1.01 0.25 1.99 6.06 -0.59 -4.99 118.95 118.57 1wr2 s ARG 154 Ca 0.32 -0.06 -0.27 0.00 -2.50 0.00 0.00 55.73 53.21 1wr2 s ARG 154 Cb 0.05 0.47 -0.09 0.00 0.06 0.00 0.00 34.95 35.44 1wr2 s ARG 154 CO 0.09 -0.34 0.89 -0.51 -2.50 0.00 0.00 175.30 172.93 1wr2 s LEU 155 N -1.64 4.54 0.11 -0.88 1.43 -1.26 -1.03 118.68 119.94 1wr2 s LEU 155 Ca -0.08 1.82 -0.23 0.00 -1.03 0.00 0.00 54.13 54.61 1wr2 s LEU 155 Cb -0.01 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 1wr2 s LEU 155 CO 0.03 0.10 0.69 -0.69 0.23 0.00 0.00 176.35 176.71 1wr2 s VAL 156 N -1.31 4.58 0.39 -1.59 1.01 -0.46 -3.67 120.40 119.35 1wr2 s VAL 156 Ca 0.42 1.50 -0.23 0.00 0.00 0.00 0.00 61.98 63.67 1wr2 s VAL 156 Cb -0.23 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.01 1wr2 s VAL 156 CO 0.28 0.50 0.97 -2.16 0.00 0.00 0.00 175.10 174.69 1wr2 s PRO 157 N -0.90 4.32 0.23 2.72 0.04 -1.26 -4.75 135.00 135.39 1wr2 s PRO 157 Ca 0.34 1.26 0.07 0.00 0.04 0.00 0.00 61.00 62.71 1wr2 s PRO 157 Cb -0.21 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1wr2 s PRO 157 CO 0.23 0.04 0.13 0.96 0.04 0.00 0.00 177.00 178.39 1wr2 s ILE 158 N -1.90 4.17 0.43 0.56 -4.36 -1.24 -5.13 121.20 113.73 1wr2 s ILE 158 Ca 0.58 -1.47 0.08 0.00 -0.26 0.00 0.00 60.65 59.58 1wr2 s ILE 158 Cb -0.14 -3.22 0.01 0.00 1.25 0.00 0.00 42.46 40.36 1wr2 s ILE 158 CO 0.19 -0.30 0.58 0.42 0.24 0.00 0.00 174.94 176.07 1wr2 s THR 159 N -2.08 2.92 0.44 8.37 -4.23 -1.26 -4.96 115.64 114.84 1wr2 s THR 159 Ca 0.32 -1.02 0.11 0.00 -1.18 0.00 0.00 61.69 59.92 1wr2 s THR 159 Cb -0.08 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 71.04 1wr2 s THR 159 CO 0.23 0.00 2.02 -0.08 -0.54 0.00 0.00 174.62 176.25 1wr2 h GLU 160 N 0.62 0.21 -0.30 3.99 4.81 -1.99 -1.38 114.58 120.54 1wr2 h GLU 160 Ca -0.39 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1wr2 h GLU 160 Cb 1.28 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1wr2 h GLU 160 CO 0.45 0.25 0.16 -0.22 -0.73 0.00 0.00 179.01 178.92 1wr2 h LYS 161 N 0.21 0.42 -0.31 1.92 3.64 -1.99 -0.84 116.57 119.62 1wr2 h LYS 161 Ca 0.05 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1wr2 h LYS 161 Cb 0.17 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1wr2 h LYS 161 CO 0.00 0.37 0.08 -0.44 -2.27 0.00 0.00 179.45 177.20 1wr2 h ASP 162 N 0.36 0.06 -0.01 4.20 3.32 -1.67 -0.61 116.42 122.07 1wr2 h ASP 162 Ca 0.11 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.21 1wr2 h ASP 162 Cb 0.08 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1wr2 h ASP 162 CO -0.02 0.07 -0.07 0.00 -1.72 0.00 0.00 179.24 177.50 1wr2 h ALA 163 N 1.22 -0.06 -0.31 3.45 0.00 -0.94 0.33 119.26 122.95 1wr2 h ALA 163 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1wr2 h ALA 163 Cb 0.14 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wr2 h ALA 163 CO -0.17 -0.56 -0.22 0.00 0.00 0.00 0.00 179.25 178.30 1wr2 h ARG 164 N -0.12 0.58 0.05 0.00 3.08 -1.06 -2.72 114.38 114.20 1wr2 h ARG 164 Ca 0.03 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1wr2 h ARG 164 Cb 0.16 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1wr2 h ARG 164 CO -0.08 0.77 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.34 1wr2 h LYS 165 N 0.52 -0.06 0.00 0.04 3.64 -0.78 -2.56 116.57 117.37 1wr2 h LYS 165 Ca 0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1wr2 h LYS 165 Cb 0.67 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1wr2 h LYS 165 CO 0.05 0.31 -0.02 0.00 -2.27 0.00 0.00 179.45 177.52 1wr2 h MET 166 N -0.44 0.00 0.02 1.90 -0.00 -0.33 -0.66 114.93 115.41 1wr2 h MET 166 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.46 1wr2 h MET 166 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 1wr2 h MET 166 CO 0.01 0.02 -0.98 0.82 -0.00 0.00 0.00 176.91 176.78 1wr2 h ILE 167 N 0.00 1.41 0.00 -0.10 2.04 -1.36 -3.25 117.51 116.26 1wr2 h ILE 167 Ca -0.00 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.34 1wr2 h ILE 167 Cb 0.22 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1wr2 h ILE 167 CO 0.00 0.75 0.00 1.56 0.00 0.00 0.00 178.15 180.46 1wr2 h GLN 168 N 0.21 0.00 0.00 2.37 4.20 -0.75 -3.30 115.11 117.83 1wr2 h GLN 168 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1wr2 h GLN 168 Cb 1.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.41 1wr2 h GLN 168 CO 0.17 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 179.26 1wr2 h GLU 169 N 0.00 0.00 -6.94 1.46 5.08 -1.26 -3.45 114.58 109.47 1wr2 h GLU 169 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1wr2 h GLU 169 Cb 0.98 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.26 1wr2 h GLU 169 CO 0.00 0.00 0.47 0.96 -1.00 0.00 0.00 179.01 179.44 1wr2 s ILE 170 N -3.23 3.36 0.37 3.13 -4.36 -1.25 -4.92 121.20 114.30 1wr2 s ILE 170 Ca 0.07 1.12 0.05 0.00 -0.26 0.00 0.00 60.65 61.64 1wr2 s ILE 170 Cb 0.09 -3.62 0.28 0.00 1.25 0.00 0.00 42.46 40.46 1wr2 s ILE 170 CO 0.59 0.08 2.00 0.11 0.24 0.00 0.00 174.94 177.96 1wr2 h LYS 171 N 2.67 0.72 -0.29 0.37 1.57 -1.89 -1.38 116.57 118.35 1wr2 h LYS 171 Ca -0.48 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1wr2 h LYS 171 Cb 1.23 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1wr2 h LYS 171 CO 0.63 0.48 0.00 0.00 -0.57 0.00 0.00 179.45 179.98 1wr2 n ALA 172 N -2.45 2.47 -0.18 3.86 0.00 -1.26 -4.21 120.51 118.74 1wr2 n ALA 172 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 1wr2 n ALA 172 Cb 0.14 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.66 1wr2 n ALA 172 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1wr2 h TYR 173 N 0.01 0.44 -0.89 0.00 3.20 -1.53 -1.72 116.97 116.48 1wr2 h TYR 173 Ca 0.00 0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.13 1wr2 h TYR 173 Cb 0.14 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 1wr2 h TYR 173 CO 0.00 0.19 0.61 -1.35 -1.64 0.00 0.00 178.16 175.97 1wr2 h PRO 174 N 0.47 0.18 -0.62 1.82 0.11 -1.84 0.12 132.00 132.23 1wr2 h PRO 174 Ca 0.25 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 1wr2 h PRO 174 Cb 0.20 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 1wr2 h PRO 174 CO -0.20 0.12 0.12 0.82 -0.21 0.00 0.00 178.00 178.64 1wr2 h ILE 175 N 0.18 1.25 -0.13 4.15 2.04 -1.63 -1.99 117.51 121.39 1wr2 h ILE 175 Ca 0.44 -0.96 -0.16 0.00 1.00 0.00 0.00 64.86 65.19 1wr2 h ILE 175 Cb 1.45 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1wr2 h ILE 175 CO -0.09 0.36 -0.58 -0.07 0.00 0.00 0.00 178.15 177.77 1wr2 h LEU 176 N 0.95 0.47 -1.05 1.44 3.38 -0.78 -2.75 115.31 116.97 1wr2 h LEU 176 Ca 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wr2 h LEU 176 Cb 0.39 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wr2 h LEU 176 CO 0.01 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.49 1wr2 h ALA 177 N 1.05 1.00 -0.58 1.53 0.00 -1.10 0.27 119.26 121.44 1wr2 h ALA 177 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wr2 h ALA 177 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wr2 h ALA 177 CO 0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1wr2 n GLY 178 N 0.19 -0.40 1.98 0.00 0.00 -0.77 -3.68 105.19 102.50 1wr2 n GLY 178 Ca 0.02 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 1wr2 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wr2 n ALA 179 N 0.77 5.15 0.00 4.61 0.00 -1.23 -4.83 120.51 124.99 1wr2 n ALA 179 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.17 1wr2 n ALA 179 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1wr2 n ALA 179 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wr2 n GLU 182 N -0.50 0.00 -2.53 0.00 1.02 -1.26 -5.15 120.64 112.22 1wr2 n GLU 182 Ca 0.44 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.16 1wr2 n GLU 182 Cb 1.03 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.42 1wr2 n GLU 182 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1wr2 s GLU 183 N -2.15 4.51 0.42 3.49 2.02 -1.26 -5.01 118.70 120.72 1wr2 s GLU 183 Ca 0.00 1.65 -0.24 0.00 0.02 0.00 0.00 54.97 56.40 1wr2 s GLU 183 Cb 0.00 -3.37 -0.08 0.00 0.10 0.00 0.00 34.13 30.78 1wr2 s GLU 183 CO 0.00 -0.12 1.12 -1.25 0.02 0.00 0.00 175.26 175.03 1wr2 s PRO 184 N 0.75 3.99 0.98 0.39 0.04 -1.24 -4.44 135.00 135.47 1wr2 s PRO 184 Ca 0.55 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.13 1wr2 s PRO 184 Cb -0.27 -2.51 0.18 0.00 0.04 0.00 0.00 34.50 31.94 1wr2 s PRO 184 CO 0.30 -0.33 1.10 0.00 0.04 0.00 0.00 177.00 178.10 1wr2 s ALA 185 N -1.57 1.07 -1.16 8.56 0.00 0.96 -2.02 121.76 127.60 1wr2 s ALA 185 Ca 0.60 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 1wr2 s ALA 185 Cb -0.26 -3.12 0.07 0.00 0.00 0.00 0.00 23.12 19.82 1wr2 s ALA 185 CO 0.32 -2.75 1.57 0.34 0.00 0.00 0.00 175.76 175.24 1wr2 s ASP 186 N -3.50 6.71 0.17 0.00 -1.08 0.88 -4.09 116.67 115.76 1wr2 s ASP 186 Ca 0.65 -2.08 -0.14 0.00 -0.52 0.00 0.00 52.55 50.46 1wr2 s ASP 186 Cb -0.18 -2.55 0.11 0.00 -1.46 0.00 0.00 42.92 38.83 1wr2 s ASP 186 CO 0.57 -1.26 1.79 0.40 0.52 0.00 0.00 175.17 177.19 1wr2 h ILE 187 N 5.99 0.98 -0.68 4.11 1.08 -1.90 -2.12 117.51 124.98 1wr2 h ILE 187 Ca 0.33 -0.17 0.10 0.00 -0.39 0.00 0.00 64.86 64.73 1wr2 h ILE 187 Cb 0.93 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 1wr2 h ILE 187 CO 1.41 0.09 0.45 0.44 -0.69 0.00 0.00 178.15 179.85 1wr2 h ASP 188 N 0.49 0.47 -0.54 1.72 5.19 -1.99 0.15 116.42 121.91 1wr2 h ASP 188 Ca 0.20 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 1wr2 h ASP 188 Cb 0.09 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1wr2 h ASP 188 CO -0.13 0.28 -0.11 0.00 -3.12 0.00 0.00 179.24 176.15 1wr2 h ALA 189 N 1.66 0.74 -0.39 3.45 0.00 -1.77 -0.72 119.26 122.23 1wr2 h ALA 189 Ca 0.31 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1wr2 h ALA 189 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1wr2 h ALA 189 CO -0.10 0.66 0.03 0.82 0.00 0.00 0.00 179.25 180.67 1wr2 h ILE 190 N 0.91 1.25 -0.94 0.00 2.04 -0.56 -1.84 117.51 118.37 1wr2 h ILE 190 Ca 0.14 -0.93 0.05 0.00 1.00 0.00 0.00 64.86 65.12 1wr2 h ILE 190 Cb 0.69 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 1wr2 h ILE 190 CO 0.05 0.32 0.60 0.58 0.00 0.00 0.00 178.15 179.70 1wr2 h VAL 191 N 0.50 1.10 -0.68 1.67 2.07 -0.58 -1.16 116.25 119.17 1wr2 h VAL 191 Ca 0.11 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1wr2 h VAL 191 Cb 0.42 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1wr2 h VAL 191 CO 0.01 0.20 0.15 -0.78 0.02 0.00 0.00 177.57 177.18 1wr2 h ASP 192 N 1.12 1.04 -0.42 0.57 3.58 -0.83 -2.13 116.42 119.36 1wr2 h ASP 192 Ca 0.40 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1wr2 h ASP 192 Cb 0.12 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 1wr2 h ASP 192 CO -0.16 1.01 0.10 0.24 -2.88 0.00 0.00 179.24 177.56 1wr2 h MET 193 N 1.02 0.67 -0.82 0.28 2.86 -0.53 -1.28 114.93 117.14 1wr2 h MET 193 Ca 0.21 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1wr2 h MET 193 Cb 0.39 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1wr2 h MET 193 CO 0.01 0.69 0.54 -0.07 1.06 0.00 0.00 176.91 179.13 1wr2 h LEU 194 N 0.53 0.92 -0.53 1.22 3.38 -1.10 0.45 115.31 120.17 1wr2 h LEU 194 Ca 0.13 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1wr2 h LEU 194 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wr2 h LEU 194 CO 0.00 0.66 -0.30 -0.07 0.09 0.00 0.00 178.44 178.82 1wr2 h LEU 195 N 1.09 0.90 -0.49 1.67 3.38 -1.20 -0.67 115.31 119.99 1wr2 h LEU 195 Ca 0.31 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1wr2 h LEU 195 Cb -0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1wr2 h LEU 195 CO -0.08 1.13 -0.16 0.11 0.09 0.00 0.00 178.44 179.54 1wr2 h LYS 196 N 0.73 0.96 -0.66 1.13 1.57 -0.87 -0.95 116.57 118.48 1wr2 h LYS 196 Ca 0.08 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.39 1wr2 h LYS 196 Cb 0.86 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 1wr2 h LYS 196 CO 0.08 1.06 0.08 0.28 -0.57 0.00 0.00 179.45 180.37 1wr2 h VAL 197 N 0.82 1.26 -0.61 0.50 2.07 -0.80 -0.39 116.25 119.10 1wr2 h VAL 197 Ca 0.12 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1wr2 h VAL 197 Cb 0.72 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1wr2 h VAL 197 CO 0.06 0.40 0.37 -1.28 0.02 0.00 0.00 177.57 177.13 1wr2 h SER 198 N 1.03 0.60 -0.04 0.57 0.87 -0.88 0.98 113.55 116.68 1wr2 h SER 198 Ca 0.20 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1wr2 h SER 198 Cb 0.47 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1wr2 h SER 198 CO 0.02 0.42 0.01 0.50 -0.53 0.00 0.00 176.83 177.24 1wr2 h LYS 199 N 0.72 0.06 -0.33 2.24 1.63 -0.89 -0.14 116.57 119.87 1wr2 h LYS 199 Ca 0.25 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.08 1wr2 h LYS 199 Cb 0.03 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.61 1wr2 h LYS 199 CO -0.11 0.26 0.04 1.25 -3.45 0.00 0.00 179.45 177.44 1wr2 h LEU 200 N -0.15 -0.05 -0.47 5.20 6.46 -0.75 -0.06 115.31 125.50 1wr2 h LEU 200 Ca 0.01 0.06 -0.12 0.00 -0.12 0.00 0.00 57.88 57.72 1wr2 h LEU 200 Cb 0.22 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1wr2 h LEU 200 CO -0.00 0.01 -0.16 0.58 -0.62 0.00 0.00 178.44 178.25 1wr2 h VAL 201 N 0.14 1.27 -0.30 1.05 2.07 -0.73 -1.13 116.25 118.62 1wr2 h VAL 201 Ca 0.16 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1wr2 h VAL 201 Cb 0.19 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1wr2 h VAL 201 CO -0.23 0.45 0.16 -0.78 0.02 0.00 0.00 177.57 177.18 1wr2 h ASP 202 N 0.78 0.38 -0.48 0.57 3.58 -0.71 0.32 116.42 120.87 1wr2 h ASP 202 Ca 0.11 -0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.47 1wr2 h ASP 202 Cb 0.72 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1wr2 h ASP 202 CO 0.06 0.37 0.31 0.44 -2.88 0.00 0.00 179.24 177.54 1wr2 h ASP 203 N 0.36 0.54 -0.73 2.28 5.19 -0.92 -3.03 116.42 120.11 1wr2 h ASP 203 Ca 0.10 -0.01 -0.22 0.00 -0.62 0.00 0.00 57.03 56.28 1wr2 h ASP 203 Cb 0.08 -0.13 -0.13 0.00 0.18 0.00 0.00 39.33 39.33 1wr2 h ASP 203 CO -0.02 0.39 0.27 0.18 -3.12 0.00 0.00 179.24 176.94 1wr2 n LEU 204 N -4.76 6.01 0.08 1.55 4.77 -0.44 -4.69 117.00 119.53 1wr2 n LEU 204 Ca 0.02 -3.25 0.20 0.00 -0.03 0.00 0.00 56.01 52.95 1wr2 n LEU 204 Cb 0.02 -0.74 0.75 0.00 -2.33 0.00 0.00 43.42 41.12 1wr2 n LEU 204 CO 0.35 0.83 1.18 0.07 -1.33 0.00 0.00 177.39 178.49 1wr2 h LYS 205 N 2.54 0.00 0.00 3.23 2.10 -0.23 0.24 116.57 124.45 1wr2 h LYS 205 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1wr2 h LYS 205 Cb 2.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.65 1wr2 h LYS 205 CO 0.73 0.00 -0.31 -0.25 -2.00 0.00 0.00 179.45 177.62 1wr2 n ASP 206 N -3.89 0.51 -0.12 7.07 8.00 -1.26 -4.25 116.55 122.62 1wr2 n ASP 206 Ca 0.07 0.22 -0.24 0.00 0.71 0.00 0.00 54.79 55.56 1wr2 n ASP 206 Cb 0.58 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.40 1wr2 n ASP 206 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1wr2 n TYR 207 N -1.86 0.43 -3.06 1.24 4.01 0.76 -4.76 117.16 113.91 1wr2 n TYR 207 Ca 0.05 0.18 -0.40 0.00 -0.16 0.00 0.00 57.90 57.58 1wr2 n TYR 207 Cb 0.39 -0.99 -0.05 0.00 -0.31 0.00 0.00 39.34 38.38 1wr2 n TYR 207 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wr2 s ILE 208 N -2.47 5.03 -0.17 -0.72 1.01 -0.57 0.28 121.20 123.59 1wr2 s ILE 208 Ca -0.33 1.37 -0.19 0.00 0.00 0.00 0.00 60.65 61.50 1wr2 s ILE 208 Cb 0.10 -4.01 -0.16 0.00 0.01 0.00 0.00 42.46 38.39 1wr2 s ILE 208 CO 0.51 0.20 0.27 0.50 0.00 0.00 0.00 174.94 176.41 1wr2 h LYS 209 N 6.97 0.00 -3.29 2.79 3.64 -1.14 -3.45 116.57 122.10 1wr2 h LYS 209 Ca -0.38 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1wr2 h LYS 209 Cb 1.18 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.89 1wr2 h LYS 209 CO 0.77 0.75 0.03 -1.83 -2.27 0.00 0.00 179.45 176.90 1wr2 s GLU 210 N -2.24 1.31 0.15 1.90 -1.05 -1.06 -3.13 118.70 114.58 1wr2 s GLU 210 Ca -0.22 -0.79 -0.24 0.00 -0.15 0.00 0.00 54.97 53.57 1wr2 s GLU 210 Cb 0.03 0.52 0.08 0.00 -0.44 0.00 0.00 34.13 34.31 1wr2 s GLU 210 CO 0.50 -0.55 1.03 0.00 0.95 0.00 0.00 175.26 177.19 1wr2 s MET 211 N -3.85 1.18 0.11 -4.83 0.23 -0.33 -0.62 119.30 111.19 1wr2 s MET 211 Ca 0.07 -0.71 -0.25 0.00 -1.03 0.00 0.00 55.69 53.77 1wr2 s MET 211 Cb -0.00 0.36 0.07 0.00 -1.53 0.00 0.00 34.83 33.73 1wr2 s MET 211 CO -0.06 -0.55 0.80 0.16 -2.03 0.00 0.00 175.02 173.35 1wr2 s ASP 212 N -3.19 -0.37 -0.25 -1.18 1.47 -0.60 -0.04 116.67 112.51 1wr2 s ASP 212 Ca 0.17 -0.17 0.02 0.00 1.18 0.00 0.00 52.55 53.75 1wr2 s ASP 212 Cb -0.01 0.51 0.06 0.00 -0.34 0.00 0.00 42.92 43.14 1wr2 s ASP 212 CO 0.03 -0.88 -0.08 -0.76 0.68 0.00 0.00 175.17 174.17 1wr2 s LEU 213 N -2.72 3.10 -0.30 2.11 1.43 0.54 -2.26 118.68 120.58 1wr2 s LEU 213 Ca 0.06 -1.33 -0.09 0.00 -1.03 0.00 0.00 54.13 51.75 1wr2 s LEU 213 Cb -0.02 -1.38 0.15 0.00 0.03 0.00 0.00 46.19 44.97 1wr2 s LEU 213 CO -0.06 -0.22 0.70 0.21 0.23 0.00 0.00 176.35 177.22 1wr2 s ASN 214 N 1.23 -1.10 0.58 2.29 2.47 -0.57 -2.35 114.94 117.49 1wr2 s ASN 214 Ca -0.07 1.24 -0.01 0.00 0.42 0.00 0.00 52.86 54.44 1wr2 s ASN 214 Cb -0.19 2.15 0.04 0.00 -1.45 0.00 0.00 41.25 41.79 1wr2 s ASN 214 CO -0.06 -0.21 0.84 -2.16 -3.72 0.00 0.00 177.10 171.79 1wr2 s PRO 215 N 2.83 2.52 -0.05 0.43 0.04 -1.26 -4.10 135.00 135.42 1wr2 s PRO 215 Ca 0.01 -0.56 0.03 0.00 0.04 0.00 0.00 61.00 60.51 1wr2 s PRO 215 Cb -0.12 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1wr2 s PRO 215 CO -0.19 -0.81 -0.11 0.08 0.04 0.00 0.00 177.00 176.00 1wr2 s VAL 216 N -2.89 1.03 -0.17 -0.36 1.01 -1.09 -0.02 120.40 117.91 1wr2 s VAL 216 Ca 0.57 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 1wr2 s VAL 216 Cb -0.10 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1wr2 s VAL 216 CO 0.40 0.32 0.05 -0.36 0.00 0.00 0.00 175.10 175.52 1wr2 s PHE 217 N 0.44 3.25 -0.20 5.22 0.08 0.57 -1.67 117.98 125.66 1wr2 s PHE 217 Ca -0.09 0.08 -0.02 0.00 0.12 0.00 0.00 56.93 57.02 1wr2 s PHE 217 Cb -0.13 -2.04 -0.00 0.00 -0.57 0.00 0.00 43.02 40.28 1wr2 s PHE 217 CO 0.02 0.20 -0.08 0.08 -0.10 0.00 0.00 175.22 175.34 1wr2 s VAL 218 N 0.19 3.10 0.75 -0.44 1.01 0.65 -0.79 120.40 124.86 1wr2 s VAL 218 Ca 0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1wr2 s VAL 218 Cb -0.12 -2.38 0.13 0.00 0.00 0.00 0.00 36.38 34.01 1wr2 s VAL 218 CO 0.01 0.46 1.03 -0.31 0.00 0.00 0.00 175.10 176.29 1wr2 s TYR 219 N 1.24 1.69 1.12 5.22 2.02 -0.81 -0.87 117.35 126.96 1wr2 s TYR 219 Ca 0.03 -0.16 -0.13 0.00 -0.37 0.00 0.00 57.07 56.44 1wr2 s TYR 219 Cb -0.14 -3.14 0.26 0.00 -0.40 0.00 0.00 41.96 38.54 1wr2 s TYR 219 CO -0.03 -1.79 1.05 -0.80 -1.57 0.00 0.00 175.55 172.40 1wr2 s ASN 220 N -4.74 1.38 0.13 2.29 0.01 -1.26 -0.08 114.94 112.67 1wr2 s ASN 220 Ca 0.67 1.47 -0.34 0.00 -0.71 0.00 0.00 52.86 53.95 1wr2 s ASN 220 Cb -0.05 -2.22 -0.17 0.00 0.41 0.00 0.00 41.25 39.22 1wr2 s ASN 220 CO 0.45 -3.95 1.03 1.17 -1.51 0.00 0.00 177.10 174.30 1wr2 n LYS 221 N -4.74 0.68 -0.91 -0.60 4.81 -0.86 -1.91 118.16 114.63 1wr2 n LYS 221 Ca 0.04 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1wr2 n LYS 221 Cb 0.55 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.94 1wr2 n LYS 221 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wr2 n GLY 222 N 1.90 0.68 0.56 3.14 0.00 -1.26 -4.87 105.19 105.34 1wr2 n GLY 222 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1wr2 n GLY 222 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wr2 n GLU 223 N -2.02 1.36 0.00 1.61 0.28 -0.80 -5.11 120.64 115.96 1wr2 n GLU 223 Ca 0.00 -3.00 0.00 0.00 -0.16 0.00 0.00 57.16 54.00 1wr2 n GLU 223 Cb 0.03 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.45 1wr2 n GLU 223 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wr2 n GLY 224 N -1.03 0.89 3.52 -1.84 0.00 -1.26 -4.70 105.19 100.77 1wr2 n GLY 224 Ca 0.17 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 1wr2 n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wr2 s ALA 225 N -1.65 0.32 -0.09 4.61 0.00 -1.26 -1.93 121.76 121.76 1wr2 s ALA 225 Ca 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 51.96 50.65 1wr2 s ALA 225 Cb 0.00 1.11 0.03 0.00 0.00 0.00 0.00 23.12 24.26 1wr2 s ALA 225 CO 0.00 -0.81 0.23 0.54 0.00 0.00 0.00 175.76 175.72 1wr2 s VAL 226 N -3.48 -0.01 -0.21 0.00 0.11 0.03 -4.80 120.40 112.04 1wr2 s VAL 226 Ca 0.27 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 59.14 1wr2 s VAL 226 Cb -0.00 -0.34 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1wr2 s VAL 226 CO 0.15 0.02 0.72 -0.63 -3.33 0.00 0.00 175.10 172.02 1wr2 s ILE 227 N 0.44 4.95 -0.12 7.04 1.01 0.20 -0.32 121.20 134.41 1wr2 s ILE 227 Ca -0.03 1.36 -0.03 0.00 0.00 0.00 0.00 60.65 61.95 1wr2 s ILE 227 Cb -0.04 -4.02 -0.25 0.00 0.01 0.00 0.00 42.46 38.15 1wr2 s ILE 227 CO -0.02 0.04 0.38 0.52 0.00 0.00 0.00 174.94 175.85 1wr2 n VAL 228 N 4.90 1.74 -3.87 2.92 0.31 0.98 -4.54 118.33 120.76 1wr2 n VAL 228 Ca 0.01 -0.67 -0.09 0.00 -0.01 0.00 0.00 64.34 63.58 1wr2 n VAL 228 Cb 0.49 -1.61 -0.07 0.00 -0.91 0.00 0.00 33.84 31.74 1wr2 n VAL 228 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wr2 s ASP 229 N -6.87 0.04 -0.05 4.52 -1.08 -1.13 -4.85 116.67 107.24 1wr2 s ASP 229 Ca -0.20 -0.71 -0.31 0.00 -0.52 0.00 0.00 52.55 50.81 1wr2 s ASP 229 Cb 0.07 0.40 0.07 0.00 -1.46 0.00 0.00 42.92 42.01 1wr2 s ASP 229 CO 0.77 -0.83 0.70 -0.55 0.52 0.00 0.00 175.17 175.78 1wr2 s SER 230 N -2.90 -0.64 -0.01 -0.34 0.15 -1.26 -1.52 113.70 107.18 1wr2 s SER 230 Ca 0.10 0.69 0.02 0.00 0.70 0.00 0.00 55.95 57.46 1wr2 s SER 230 Cb 0.04 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1wr2 s SER 230 CO -0.06 -0.60 -0.06 0.00 1.20 0.00 0.00 173.24 173.72 1wr2 s ARG 231 N -1.22 0.51 -0.06 5.44 1.70 -0.96 -4.44 118.95 119.93 1wr2 s ARG 231 Ca -0.10 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 54.95 1wr2 s ARG 231 Cb -0.00 -0.50 0.02 0.00 -0.57 0.00 0.00 34.95 33.90 1wr2 s ARG 231 CO 0.09 0.12 -0.05 0.42 -1.08 0.00 0.00 175.30 174.80 1wr2 s ILE 232 N -0.07 0.64 -0.21 4.99 1.01 -1.26 -1.56 121.20 124.73 1wr2 s ILE 232 Ca 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 1wr2 s ILE 232 Cb -0.03 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 1wr2 s ILE 232 CO -0.00 0.26 -0.04 -0.63 0.00 0.00 0.00 174.94 174.53 1wr2 s ILE 233 N 1.09 3.49 0.35 2.92 -1.09 0.20 -1.20 121.20 126.96 1wr2 s ILE 233 Ca -0.08 -0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 57.86 1wr2 s ILE 233 Cb -0.14 -2.58 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 1wr2 s ILE 233 CO -0.01 0.43 0.59 -0.76 -1.23 0.00 0.00 174.94 173.96 1wr2 s LEU 234 N 1.32 3.96 -0.04 2.97 1.43 0.24 -0.63 118.68 127.91 1wr2 s LEU 234 Ca 0.04 0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 53.59 1wr2 s LEU 234 Cb -0.14 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 1wr2 s LEU 234 CO -0.01 -0.31 0.40 -0.54 0.23 0.00 0.00 176.35 176.11 1wr2 s LYS 235 N -4.17 4.02 0.45 1.70 1.02 0.14 -4.64 119.74 118.26 1wr2 s LYS 235 Ca 0.42 0.36 -0.23 0.00 0.02 0.00 0.00 55.97 56.54 1wr2 s LYS 235 Cb -0.10 -3.28 -0.08 0.00 -0.52 0.00 0.00 37.83 33.85 1wr2 s LYS 235 CO 0.36 0.54 1.15 -1.25 -0.92 0.00 0.00 175.35 175.23 1wr2 s PRO 236 N -0.58 3.83 0.00 -1.68 0.04 -1.26 -4.92 135.00 130.44 1wr2 s PRO 236 Ca 0.23 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1wr2 s PRO 236 Cb -0.16 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1wr2 s PRO 236 CO 0.11 -0.48 0.00 1.17 0.04 0.00 0.00 177.00 177.84