#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a18 s GLU 2 N 0.00 4.16 0.19 0.03 2.02 -1.22 -4.84 118.70 119.03 3a18 s GLU 2 Ca 0.00 1.70 -0.14 0.00 0.02 0.00 0.00 54.97 56.55 3a18 s GLU 2 Cb 0.00 -2.68 -0.07 0.00 0.10 0.00 0.00 34.13 31.48 3a18 s GLU 2 CO 0.00 -0.19 0.59 0.45 0.02 0.00 0.00 175.26 176.13 3a18 s SER 3 N -1.28 6.81 0.54 -0.19 0.15 -1.26 -1.45 113.70 117.01 3a18 s SER 3 Ca 0.56 1.11 0.31 0.00 0.70 0.00 0.00 55.95 58.63 3a18 s SER 3 Cb -0.27 -2.30 1.47 0.00 -1.71 0.00 0.00 66.02 63.21 3a18 s SER 3 CO 0.34 0.03 2.05 0.00 1.20 0.00 0.00 173.24 176.86 3a18 h ALA 4 N 3.24 1.11 -2.24 5.45 0.00 -1.93 -3.41 119.26 121.48 3a18 h ALA 4 Ca -0.48 -0.08 -0.59 0.00 0.00 0.00 0.00 54.91 53.75 3a18 h ALA 4 Cb 1.19 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 3a18 h ALA 4 CO 0.66 0.11 0.51 0.42 0.00 0.00 0.00 179.25 180.96 3a18 s ILE 5 N -3.94 4.79 0.36 0.00 1.01 -1.26 -4.98 121.20 117.18 3a18 s ILE 5 Ca -0.01 1.54 -0.27 0.00 0.00 0.00 0.00 60.65 61.91 3a18 s ILE 5 Cb 0.11 -4.16 -0.12 0.00 0.01 0.00 0.00 42.46 38.31 3a18 s ILE 5 CO 0.56 -0.15 1.16 0.61 0.00 0.00 0.00 174.94 177.13 3a18 n GLY 6 N 3.81 0.22 0.27 6.18 0.00 -1.26 -4.77 105.19 109.63 3a18 n GLY 6 Ca 0.06 0.26 0.02 0.00 0.00 0.00 0.00 46.02 46.36 3a18 n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a18 h GLU 7 N 2.14 0.02 0.00 1.61 4.81 -1.93 0.15 114.58 121.37 3a18 h GLU 7 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3a18 h GLU 7 Cb 1.31 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3a18 h GLU 7 CO 0.60 0.01 0.00 1.12 -0.73 0.00 0.00 179.01 180.01 3a18 h HIS 8 N 0.02 0.00 -0.01 0.92 2.07 -1.93 -1.84 115.15 114.37 3a18 h HIS 8 Ca 0.36 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.88 3a18 h HIS 8 Cb 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 3a18 h HIS 8 CO -0.55 0.00 -0.37 1.28 -3.07 0.00 0.00 177.93 175.23 3a18 n LEU 9 N -2.77 1.78 -4.73 6.12 4.77 0.48 -4.91 117.00 117.74 3a18 n LEU 9 Ca -0.00 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 54.95 3a18 n LEU 9 Cb 0.20 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3a18 n LEU 9 CO 0.22 0.33 0.87 -1.10 -1.33 0.00 0.00 177.39 176.37 3a18 s GLN 10 N -2.44 4.48 0.13 3.23 -0.21 -0.69 -4.95 119.66 119.21 3a18 s GLN 10 Ca 0.22 1.80 -0.05 0.00 0.02 0.00 0.00 55.36 57.35 3a18 s GLN 10 Cb 0.19 -3.29 -0.02 0.00 1.00 0.00 0.00 33.01 30.88 3a18 s GLN 10 CO 0.53 -0.14 0.16 0.00 -2.12 0.00 0.00 175.29 173.73 3a18 n PRO 12 N -0.12 1.86 -3.37 0.00 -0.02 -1.26 -4.94 135.00 127.14 3a18 n PRO 12 Ca -0.09 0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 3a18 n PRO 12 Cb 0.63 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3a18 n PRO 12 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3a18 s ARG 13 N 0.46 3.92 -0.02 -0.52 0.52 -1.26 -4.91 118.95 117.15 3a18 s ARG 13 Ca 0.77 0.42 0.03 0.00 -0.52 0.00 0.00 55.73 56.43 3a18 s ARG 13 Cb -0.74 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 3a18 s ARG 13 CO 0.43 0.43 0.04 0.25 0.02 0.00 0.00 175.30 176.46 3a18 n THR 14 N 0.51 0.10 -4.42 0.02 -2.24 -0.40 -5.02 114.28 102.82 3a18 n THR 14 Ca -0.03 -0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 3a18 n THR 14 Cb 0.52 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.38 3a18 n THR 14 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a18 s LEU 15 N -3.72 3.40 0.35 3.22 1.43 -0.71 -5.00 118.68 117.65 3a18 s LEU 15 Ca -0.01 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 3a18 s LEU 15 Cb 0.01 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3a18 s LEU 15 CO 0.12 0.33 0.11 0.42 0.23 0.00 0.00 176.35 177.57 3a18 s THR 16 N -0.94 2.85 0.89 5.49 -4.23 -1.26 -4.64 115.64 113.79 3a18 s THR 16 Ca 0.15 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 3a18 s THR 16 Cb -0.11 -2.93 0.12 0.00 1.34 0.00 0.00 72.50 70.92 3a18 s THR 16 CO 0.05 -0.17 1.14 -0.13 -0.54 0.00 0.00 174.62 174.97 3a18 s ARG 17 N -3.82 1.35 0.00 3.99 0.52 -1.26 -5.00 118.95 114.73 3a18 s ARG 17 Ca 0.37 0.31 0.20 0.00 -0.52 0.00 0.00 55.73 56.10 3a18 s ARG 17 Cb -0.01 -1.86 0.41 0.00 0.52 0.00 0.00 34.95 34.00 3a18 s ARG 17 CO 0.22 -2.06 1.35 2.89 0.02 0.00 0.00 175.30 177.72 3a18 n ARG 18 N -3.67 2.41 -4.70 3.54 1.85 -1.26 -4.93 116.66 109.90 3a18 n ARG 18 Ca 0.07 -2.21 -0.27 0.00 -1.00 0.00 0.00 57.85 54.44 3a18 n ARG 18 Cb 0.59 -1.46 -0.14 0.00 -1.05 0.00 0.00 32.46 30.40 3a18 n ARG 18 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3a18 s VAL 19 N -1.29 1.77 0.98 8.89 -7.23 -1.26 -5.14 120.40 117.12 3a18 s VAL 19 Ca 0.35 -1.25 -0.12 0.00 -1.81 0.00 0.00 61.98 59.16 3a18 s VAL 19 Cb 0.20 -1.54 0.18 0.00 0.56 0.00 0.00 36.38 35.78 3a18 s VAL 19 CO 0.28 0.24 1.09 -2.16 -0.31 0.00 0.00 175.10 174.24 3a18 s PRO 20 N -1.20 0.60 0.58 4.82 0.04 -1.26 -4.93 135.00 133.65 3a18 s PRO 20 Ca 0.08 0.71 0.32 0.00 0.04 0.00 0.00 61.00 62.15 3a18 s PRO 20 Cb -0.09 -1.74 1.80 0.00 0.04 0.00 0.00 34.50 34.51 3a18 s PRO 20 CO 0.02 -2.67 2.21 -0.44 0.04 0.00 0.00 177.00 176.17 3a18 h ASP 21 N -1.85 0.00 0.40 6.66 3.32 -2.01 -2.34 116.42 120.60 3a18 h ASP 21 Ca -0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3a18 h ASP 21 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3a18 h ASP 21 CO 0.55 0.04 0.00 0.35 -1.72 0.00 0.00 179.24 178.46 3a18 n THR 22 N -3.62 0.25 -1.68 0.35 -2.24 -1.26 -4.91 114.28 101.17 3a18 n THR 22 Ca -0.02 0.06 -0.45 0.00 -2.27 0.00 0.00 64.05 61.37 3a18 n THR 22 Cb 0.14 -0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 67.64 3a18 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a18 n TYR 23 N -1.26 2.41 -4.07 4.78 9.36 -0.88 -5.01 117.16 122.49 3a18 n TYR 23 Ca 0.11 0.22 -0.26 0.00 3.32 0.00 0.00 57.90 61.29 3a18 n TYR 23 Cb 0.17 -2.58 -0.17 0.00 -0.63 0.00 0.00 39.34 36.14 3a18 n TYR 23 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3a18 s THR 24 N 0.91 0.99 0.60 2.97 2.01 -1.26 -5.02 115.64 116.83 3a18 s THR 24 Ca 0.77 -0.30 -0.19 0.00 0.31 0.00 0.00 61.69 62.28 3a18 s THR 24 Cb -0.63 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 3a18 s THR 24 CO 0.37 0.35 1.25 -2.16 -0.69 0.00 0.00 174.62 173.75 3a18 s PRO 25 N 1.44 2.88 0.00 4.92 0.04 -1.26 -4.94 135.00 138.07 3a18 s PRO 25 Ca -0.00 1.96 0.29 0.00 0.04 0.00 0.00 61.00 63.29 3a18 s PRO 25 Cb -0.13 -1.96 1.35 0.00 0.04 0.00 0.00 34.50 33.80 3a18 s PRO 25 CO -0.05 -1.31 1.97 -0.35 0.04 0.00 0.00 177.00 177.30 3a18 n PRO 26 N -1.59 0.20 -3.61 0.56 -0.04 -1.26 -4.85 135.00 124.41 3a18 n PRO 26 Ca 0.14 -0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 3a18 n PRO 26 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 3a18 n PRO 26 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a18 s PHE 27 N -2.81 -0.28 0.16 0.54 -0.12 -1.26 -5.08 117.98 109.15 3a18 s PHE 27 Ca 0.20 0.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.85 3a18 s PHE 27 Cb 0.20 0.29 -0.07 0.00 -0.63 0.00 0.00 43.02 42.81 3a18 s PHE 27 CO 0.50 -0.69 0.98 -2.14 -0.05 0.00 0.00 175.22 173.82 3a18 s PRO 28 N -3.40 4.73 0.09 1.99 0.02 -1.26 -5.02 135.00 132.15 3a18 s PRO 28 Ca 0.00 1.51 0.01 0.00 0.02 0.00 0.00 61.00 62.54 3a18 s PRO 28 Cb 0.01 -3.33 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 3a18 s PRO 28 CO -0.09 0.29 -0.05 -1.64 -0.33 0.00 0.00 177.00 175.18 3a18 s MET 29 N -0.46 0.77 0.18 5.54 -1.94 -1.26 -4.90 119.30 117.24 3a18 s MET 29 Ca 0.45 -1.31 0.03 0.00 -1.71 0.00 0.00 55.69 53.16 3a18 s MET 29 Cb -0.25 -0.08 -0.05 0.00 2.01 0.00 0.00 34.83 36.46 3a18 s MET 29 CO 0.31 -0.05 -0.04 -1.58 -0.01 0.00 0.00 175.02 173.66 3a18 s TRP 30 N -3.72 1.36 0.11 -0.03 0.51 -0.36 -1.73 118.94 115.09 3a18 s TRP 30 Ca 0.11 -0.89 0.02 0.00 -2.12 0.00 0.00 56.10 53.22 3a18 s TRP 30 Cb 0.06 -0.75 -0.04 0.00 -0.81 0.00 0.00 33.47 31.92 3a18 s TRP 30 CO -0.06 -0.04 -0.07 0.14 -0.51 0.00 0.00 176.95 176.41 3a18 s VAL 31 N -3.45 0.78 0.33 4.03 -7.23 -1.26 -0.52 120.40 113.08 3a18 s VAL 31 Ca 0.23 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 3a18 s VAL 31 Cb 0.05 -1.73 -0.10 0.00 0.56 0.00 0.00 36.38 35.15 3a18 s VAL 31 CO 0.04 -0.84 1.33 -0.83 -0.31 0.00 0.00 175.10 174.49 3a18 s GLY 32 N -3.07 2.95 -0.06 2.32 0.00 -1.26 -1.32 107.32 106.89 3a18 s GLY 32 Ca 0.13 1.28 0.04 0.00 0.00 0.00 0.00 44.72 46.17 3a18 s GLY 32 CO -0.03 1.96 -0.16 0.50 0.00 0.00 0.00 173.10 175.36 3a18 s ARG 33 N -1.71 2.57 -0.03 2.90 1.81 0.78 -4.81 118.95 120.46 3a18 s ARG 33 Ca 0.50 -0.73 -0.15 0.00 -1.72 0.00 0.00 55.73 53.63 3a18 s ARG 33 Cb -0.40 -2.36 0.03 0.00 -0.45 0.00 0.00 34.95 31.76 3a18 s ARG 33 CO 0.53 0.56 0.32 0.00 -0.68 0.00 0.00 175.30 176.03 3a18 s ALA 34 N -0.56 -0.81 0.88 2.13 0.00 -1.26 0.38 121.76 122.51 3a18 s ALA 34 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.46 3a18 s ALA 34 Cb -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3a18 s ALA 34 CO 0.01 -0.25 0.00 -0.40 0.00 0.00 0.00 175.76 175.12 3a18 n ASP 35 N 1.47 0.00 0.00 0.00 5.68 -1.26 -4.92 116.55 117.51 3a18 n ASP 35 Ca -0.20 -0.93 0.07 0.00 -0.50 0.00 0.00 54.79 53.23 3a18 n ASP 35 Cb 0.56 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.88 3a18 n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3a18 n ASP 36 N -2.79 0.00 0.25 -1.12 5.75 -1.26 -2.34 116.55 115.03 3a18 n ASP 36 Ca 0.00 0.37 0.12 0.00 -0.01 0.00 0.00 54.79 55.27 3a18 n ASP 36 Cb 0.00 -0.44 0.61 0.00 -1.03 0.00 0.00 41.12 40.26 3a18 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a18 h ALA 37 N 2.57 1.15 -2.18 2.12 0.00 -2.01 -3.37 119.26 117.54 3a18 h ALA 37 Ca 0.00 -0.15 -0.72 0.00 0.00 0.00 0.00 54.91 54.04 3a18 h ALA 37 Cb 0.22 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 17.78 3a18 h ALA 37 CO 0.00 0.21 0.45 -1.17 0.00 0.00 0.00 179.25 178.74 3a18 s LEU 38 N -7.01 5.62 -0.17 0.00 2.96 -0.99 -4.83 118.68 114.26 3a18 s LEU 38 Ca -0.01 -2.07 -0.09 0.00 -0.22 0.00 0.00 54.13 51.73 3a18 s LEU 38 Cb 0.12 -2.32 -0.23 0.00 0.50 0.00 0.00 46.19 44.26 3a18 s LEU 38 CO 0.60 -0.94 0.21 0.00 -1.32 0.00 0.00 176.35 174.90 3a18 n GLN 39 N 5.77 0.69 -3.68 1.98 6.02 -1.26 -4.57 117.38 122.33 3a18 n GLN 39 Ca 0.13 0.32 -0.10 0.00 -0.01 0.00 0.00 57.00 57.34 3a18 n GLN 39 Cb 0.47 -1.68 -0.09 0.00 1.02 0.00 0.00 30.24 29.95 3a18 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3a18 s GLN 40 N -2.51 0.51 0.27 -1.09 0.74 -1.26 0.14 119.66 116.47 3a18 s GLN 40 Ca -0.27 0.92 0.08 0.00 0.05 0.00 0.00 55.36 56.14 3a18 s GLN 40 Cb 0.07 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.21 3a18 s GLN 40 CO 0.69 -0.15 0.18 0.14 -0.55 0.00 0.00 175.29 175.60 3a18 s VAL 41 N 1.35 4.10 -0.13 1.34 -7.23 -0.58 -3.63 120.40 115.63 3a18 s VAL 41 Ca -0.09 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 3a18 s VAL 41 Cb -0.07 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 33.60 3a18 s VAL 41 CO -0.14 -0.32 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.47 3a18 s VAL 42 N -2.20 2.61 -0.31 1.32 1.01 -0.81 -3.06 120.40 118.95 3a18 s VAL 42 Ca 0.34 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 3a18 s VAL 42 Cb -0.07 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3a18 s VAL 42 CO 0.24 0.53 0.07 -0.04 0.00 0.00 0.00 175.10 175.91 3a18 s MET 43 N 0.50 2.89 -0.27 2.72 -1.94 0.33 -1.37 119.30 122.15 3a18 s MET 43 Ca -0.12 -0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 52.86 3a18 s MET 43 Cb -0.16 -3.36 0.04 0.00 2.01 0.00 0.00 34.83 33.36 3a18 s MET 43 CO 0.05 -0.52 -0.04 0.20 -0.01 0.00 0.00 175.02 174.70 3a18 s GLY 44 N 1.44 1.69 -0.37 -0.03 0.00 -0.00 -1.68 107.32 108.38 3a18 s GLY 44 Ca 0.01 -1.65 -0.14 0.00 0.00 0.00 0.00 44.72 42.94 3a18 s GLY 44 CO 0.02 0.61 0.30 -0.19 0.00 0.00 0.00 173.10 173.85 3a18 s TYR 45 N 1.26 3.22 -0.24 1.90 1.51 -0.61 -0.17 117.35 124.24 3a18 s TYR 45 Ca -0.04 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 3a18 s TYR 45 Cb -0.19 -2.59 0.01 0.00 -0.11 0.00 0.00 41.96 39.08 3a18 s TYR 45 CO -0.03 -0.48 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.37 3a18 s LEU 46 N 1.81 3.06 0.16 -1.29 1.02 0.91 -1.04 118.68 123.32 3a18 s LEU 46 Ca 0.07 -0.64 0.09 0.00 0.02 0.00 0.00 54.13 53.68 3a18 s LEU 46 Cb -0.18 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 3a18 s LEU 46 CO 0.11 -0.08 -0.14 -0.83 0.02 0.00 0.00 176.35 175.42 3a18 s GLY 47 N 1.41 1.72 -0.08 -3.19 0.00 -0.13 -0.48 107.32 106.58 3a18 s GLY 47 Ca 0.03 -1.45 0.03 0.00 0.00 0.00 0.00 44.72 43.33 3a18 s GLY 47 CO -0.04 -1.46 -0.16 0.14 0.00 0.00 0.00 173.10 171.59 3a18 s VAL 48 N -1.50 1.41 -0.03 1.40 1.01 0.99 -1.77 120.40 121.90 3a18 s VAL 48 Ca 0.22 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.62 3a18 s VAL 48 Cb -0.09 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3a18 s VAL 48 CO 0.13 0.42 -0.20 -1.58 0.00 0.00 0.00 175.10 173.86 3a18 s GLN 49 N 0.60 1.79 0.19 2.72 0.74 0.08 -0.34 119.66 125.45 3a18 s GLN 49 Ca -0.15 -0.72 -0.21 0.00 0.05 0.00 0.00 55.36 54.33 3a18 s GLN 49 Cb -0.16 -1.65 0.05 0.00 1.10 0.00 0.00 33.01 32.34 3a18 s GLN 49 CO 0.05 0.38 0.61 -0.59 -0.55 0.00 0.00 175.29 175.19 3a18 s PHE 50 N -0.31 -0.36 0.00 1.67 -0.71 -0.51 -0.08 117.98 117.68 3a18 s PHE 50 Ca 0.03 0.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.98 3a18 s PHE 50 Cb -0.10 0.55 0.00 0.00 -1.21 0.00 0.00 43.02 42.27 3a18 s PHE 50 CO 0.01 -0.95 0.00 2.89 -1.34 0.00 0.00 175.22 175.82 3a18 n ARG 51 N -0.38 0.70 -2.64 1.99 1.85 -1.26 0.78 116.66 117.70 3a18 n ARG 51 Ca -0.12 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.32 3a18 n ARG 51 Cb 0.63 -0.76 -0.05 0.00 -1.05 0.00 0.00 32.46 31.23 3a18 n ARG 51 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3a18 s ASP 52 N -3.01 7.45 0.38 2.89 1.01 -1.26 -4.86 116.67 119.26 3a18 s ASP 52 Ca 0.00 2.00 0.05 0.00 0.71 0.00 0.00 52.55 55.32 3a18 s ASP 52 Cb 0.00 -2.61 0.76 0.00 1.01 0.00 0.00 42.92 42.08 3a18 s ASP 52 CO 0.00 -0.04 2.01 -0.08 0.21 0.00 0.00 175.17 177.26 3a18 h GLU 53 N 4.69 0.69 0.00 8.23 4.22 -2.02 -1.55 114.58 128.84 3a18 h GLU 53 Ca -0.45 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.95 3a18 h GLU 53 Cb 1.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3a18 h GLU 53 CO 0.70 0.46 0.00 0.38 -2.18 0.00 0.00 179.01 178.37 3a18 h ASP 54 N 0.71 0.00 1.01 1.04 3.04 -2.04 -1.18 116.42 119.01 3a18 h ASP 54 Ca 0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.03 3a18 h ASP 54 Cb 0.07 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 3a18 h ASP 54 CO -0.06 0.00 -0.27 0.00 -2.04 0.00 0.00 179.24 176.87 3a18 n GLN 55 N -2.64 0.16 -0.13 4.15 6.02 -0.58 -4.35 117.38 120.00 3a18 n GLN 55 Ca -0.01 0.09 -0.05 0.00 -0.01 0.00 0.00 57.00 57.01 3a18 n GLN 55 Cb 0.09 -1.64 0.03 0.00 1.02 0.00 0.00 30.24 29.74 3a18 n GLN 55 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3a18 h ARG 56 N 0.00 0.37 -0.50 -1.09 2.43 -1.31 0.12 114.38 114.40 3a18 h ARG 56 Ca 0.00 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3a18 h ARG 56 Cb 0.64 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 3a18 h ARG 56 CO 0.00 0.25 0.22 -1.35 -1.51 0.00 0.00 179.97 177.58 3a18 h PRO 57 N 0.39 0.42 -0.56 0.20 0.11 -1.79 0.50 132.00 131.26 3a18 h PRO 57 Ca 0.19 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.17 3a18 h PRO 57 Cb 0.13 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3a18 h PRO 57 CO -0.16 0.28 -0.06 0.00 -0.21 0.00 0.00 178.00 177.84 3a18 h ALA 58 N 1.30 0.76 -0.54 -0.75 0.00 -1.75 -1.71 119.26 116.57 3a18 h ALA 58 Ca 0.23 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3a18 h ALA 58 Cb 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3a18 h ALA 58 CO -0.20 0.64 0.25 0.00 0.00 0.00 0.00 179.25 179.95 3a18 h ALA 59 N 0.95 0.69 -0.38 0.00 0.00 -0.44 -1.22 119.26 118.86 3a18 h ALA 59 Ca 0.15 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3a18 h ALA 59 Cb 0.63 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3a18 h ALA 59 CO 0.04 0.26 -0.21 -0.07 0.00 0.00 0.00 179.25 179.27 3a18 h LEU 60 N 0.72 0.75 -0.45 0.00 3.38 -0.80 -1.86 115.31 117.06 3a18 h LEU 60 Ca 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3a18 h LEU 60 Cb 0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3a18 h LEU 60 CO -0.02 0.95 0.26 -0.61 0.09 0.00 0.00 178.44 179.10 3a18 h GLN 61 N 0.65 0.61 -0.48 1.13 5.75 -1.18 -0.97 115.11 120.63 3a18 h GLN 61 Ca 0.09 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 3a18 h GLN 61 Cb 0.70 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.08 3a18 h GLN 61 CO 0.05 0.47 0.22 0.00 -2.65 0.00 0.00 178.83 176.92 3a18 h ALA 62 N 1.11 0.60 -0.65 3.38 0.00 -0.94 0.20 119.26 122.97 3a18 h ALA 62 Ca 0.16 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3a18 h ALA 62 Cb 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3a18 h ALA 62 CO -0.03 -0.15 0.43 1.98 0.00 0.00 0.00 179.25 181.48 3a18 h MET 63 N 0.43 0.86 -0.80 0.00 1.85 -1.15 -0.80 114.93 115.31 3a18 h MET 63 Ca 0.22 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.25 3a18 h MET 63 Cb 0.16 -0.19 -0.04 0.00 0.43 0.00 0.00 31.60 31.96 3a18 h MET 63 CO -0.18 0.57 0.48 0.00 -0.40 0.00 0.00 176.91 177.39 3a18 h ARG 64 N 0.88 1.09 -0.65 0.39 3.08 -0.42 -1.33 114.38 117.42 3a18 h ARG 64 Ca 0.24 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3a18 h ARG 64 Cb -0.10 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.70 3a18 h ARG 64 CO -0.05 0.77 0.37 -0.44 -1.07 0.00 0.00 179.97 179.55 3a18 h ASP 65 N 1.10 0.80 -0.40 7.04 3.32 -0.12 -0.58 116.42 127.58 3a18 h ASP 65 Ca 0.29 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3a18 h ASP 65 Cb -0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3a18 h ASP 65 CO -0.05 0.65 0.21 0.40 -1.72 0.00 0.00 179.24 178.73 3a18 h ILE 66 N 0.88 1.15 -0.48 0.35 2.04 -0.92 -2.38 117.51 118.16 3a18 h ILE 66 Ca 0.23 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 3a18 h ILE 66 Cb 0.02 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3a18 h ILE 66 CO -0.04 0.16 0.04 0.58 0.00 0.00 0.00 178.15 178.89 3a18 h VAL 67 N 0.51 1.23 -0.66 1.67 2.07 -1.02 -2.19 116.25 117.85 3a18 h VAL 67 Ca 0.14 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3a18 h VAL 67 Cb 0.07 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3a18 h VAL 67 CO -0.02 0.33 0.31 0.00 0.02 0.00 0.00 177.57 178.21 3a18 h ALA 68 N 1.32 1.30 0.00 1.67 0.00 -0.93 -2.07 119.26 120.55 3a18 h ALA 68 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3a18 h ALA 68 Cb 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3a18 h ALA 68 CO 0.01 0.54 0.00 0.78 0.00 0.00 0.00 179.25 180.58 3a18 h GLY 69 N 1.02 0.00 2.00 0.00 0.00 -0.88 -2.19 103.07 103.02 3a18 h GLY 69 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 3a18 h GLY 69 CO -0.03 0.00 -0.09 0.74 0.00 0.00 0.00 176.54 177.16 3a18 h PHE 70 N 0.00 0.00 -0.01 5.60 -1.00 -1.05 -3.08 116.94 117.40 3a18 h PHE 70 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3a18 h PHE 70 Cb 0.45 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.01 3a18 h PHE 70 CO 0.00 0.09 0.00 -0.25 -1.61 0.00 0.00 178.31 176.54 3a18 n ASP 71 N -3.20 0.69 -4.91 2.17 9.92 -0.82 -4.09 116.55 116.32 3a18 n ASP 71 Ca 0.01 -1.25 -0.28 0.00 -0.53 0.00 0.00 54.79 52.74 3a18 n ASP 71 Cb 0.40 -0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.92 3a18 n ASP 71 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3a18 s LEU 72 N -1.98 3.04 0.25 0.64 1.43 -1.16 -4.95 118.68 115.95 3a18 s LEU 72 Ca 0.43 0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 54.07 3a18 s LEU 72 Cb 0.21 -3.62 -0.14 0.00 0.03 0.00 0.00 46.19 42.67 3a18 s LEU 72 CO 0.35 -1.25 1.14 -2.65 0.23 0.00 0.00 176.35 174.16 3a18 n PRO 73 N -2.80 1.48 -1.16 1.29 -0.02 -1.26 -1.56 135.00 130.97 3a18 n PRO 73 Ca 0.06 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 62.01 3a18 n PRO 73 Cb 0.58 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 32.05 3a18 n PRO 73 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a18 n ASP 74 N 1.55 -4.61 -4.47 2.55 8.00 -1.26 -4.70 116.55 113.61 3a18 n ASP 74 Ca 0.11 0.13 -0.28 0.00 0.71 0.00 0.00 54.79 55.46 3a18 n ASP 74 Cb 0.30 -2.58 0.23 0.00 -0.02 0.00 0.00 41.12 39.06 3a18 n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3a18 s GLY 75 N -2.39 1.54 0.54 0.44 0.00 -0.60 -4.44 107.32 102.41 3a18 s GLY 75 Ca 0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 44.72 44.20 3a18 s GLY 75 CO 0.00 0.40 1.12 2.56 0.00 0.00 0.00 173.10 177.17 3a18 s PRO 76 N -4.71 3.39 0.42 2.90 0.04 -1.26 -4.93 135.00 130.84 3a18 s PRO 76 Ca 0.68 1.57 0.14 0.00 0.04 0.00 0.00 61.00 63.43 3a18 s PRO 76 Cb -0.21 -2.01 0.90 0.00 0.04 0.00 0.00 34.50 33.21 3a18 s PRO 76 CO 0.62 -0.81 1.92 0.00 0.04 0.00 0.00 177.00 178.77 3a18 h ALA 77 N 1.18 1.53 -2.59 8.56 0.00 -1.45 -3.45 119.26 123.05 3a18 h ALA 77 Ca -0.50 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.05 3a18 h ALA 77 Cb 1.26 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 3a18 h ALA 77 CO 0.57 0.33 -0.35 -1.58 0.00 0.00 0.00 179.25 178.22 3a18 s HIS 78 N -4.41 -0.07 0.10 0.00 5.65 -1.18 -5.01 115.29 110.37 3a18 s HIS 78 Ca -0.03 0.02 -0.21 0.00 0.25 0.00 0.00 55.06 55.08 3a18 s HIS 78 Cb 0.15 0.04 0.05 0.00 -1.18 0.00 0.00 32.58 31.64 3a18 s HIS 78 CO 0.70 -0.39 0.51 -3.38 -0.65 0.00 0.00 174.74 171.54 3a18 s HIS 79 N -1.76 -0.40 0.11 3.88 -0.00 -1.26 -1.18 115.29 114.68 3a18 s HIS 79 Ca -0.11 0.28 -0.08 0.00 -0.00 0.00 0.00 55.06 55.15 3a18 s HIS 79 Cb -0.04 0.38 -0.01 0.00 -0.00 0.00 0.00 32.58 32.91 3a18 s HIS 79 CO 0.01 -0.72 0.21 0.16 -0.00 0.00 0.00 174.74 174.40 3a18 s ASP 80 N -2.41 0.11 -0.04 7.38 1.47 -0.96 -5.00 116.67 117.22 3a18 s ASP 80 Ca -0.01 -0.76 0.06 0.00 1.18 0.00 0.00 52.55 53.02 3a18 s ASP 80 Cb -0.00 0.37 -0.01 0.00 -0.34 0.00 0.00 42.92 42.93 3a18 s ASP 80 CO -0.08 -0.78 -0.24 -0.76 0.68 0.00 0.00 175.17 174.00 3a18 s LEU 81 N -2.91 2.04 0.09 2.11 1.43 -1.26 -1.55 118.68 118.62 3a18 s LEU 81 Ca 0.10 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3a18 s LEU 81 Cb 0.05 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 3a18 s LEU 81 CO -0.07 0.25 -0.03 0.42 0.23 0.00 0.00 176.35 177.15 3a18 s THR 82 N -0.27 0.45 -0.02 5.49 -4.23 0.21 -0.91 115.64 116.36 3a18 s THR 82 Ca 0.01 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 58.67 3a18 s THR 82 Cb -0.12 -1.69 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 3a18 s THR 82 CO 0.02 -0.85 -0.13 -2.28 -0.54 0.00 0.00 174.62 170.83 3a18 s HIS 83 N -3.79 1.22 0.05 3.99 5.04 0.80 -0.88 115.29 121.72 3a18 s HIS 83 Ca 0.12 -0.26 -0.17 0.00 -1.54 0.00 0.00 55.06 53.21 3a18 s HIS 83 Cb 0.07 -0.80 0.03 0.00 0.04 0.00 0.00 32.58 31.92 3a18 s HIS 83 CO -0.06 -0.05 0.39 -3.38 -2.34 0.00 0.00 174.74 169.30 3a18 s HIS 84 N -0.17 -0.22 -0.24 3.88 -3.43 -0.65 -1.00 115.29 113.45 3a18 s HIS 84 Ca 0.02 0.14 -0.09 0.00 -0.80 0.00 0.00 55.06 54.33 3a18 s HIS 84 Cb -0.07 0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 31.23 3a18 s HIS 84 CO -0.00 -0.57 0.13 0.42 -2.00 0.00 0.00 174.74 172.72 3a18 s ILE 85 N -2.61 5.03 0.95 -5.38 1.01 -1.26 0.32 121.20 119.26 3a18 s ILE 85 Ca -0.04 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 3a18 s ILE 85 Cb -0.01 -3.35 0.20 0.00 0.01 0.00 0.00 42.46 39.32 3a18 s ILE 85 CO -0.03 0.34 1.30 1.51 0.00 0.00 0.00 174.94 178.06 3a18 s ASP 86 N 1.22 3.16 0.00 3.58 1.47 -0.18 -4.91 116.67 121.02 3a18 s ASP 86 Ca 0.06 0.18 0.25 0.00 1.18 0.00 0.00 52.55 54.22 3a18 s ASP 86 Cb -0.14 -0.23 1.52 0.00 -0.34 0.00 0.00 42.92 43.73 3a18 s ASP 86 CO 0.05 -2.69 1.88 -0.46 0.68 0.00 0.00 175.17 174.63 3a18 n ASN 87 N -3.70 0.00 -1.03 2.11 0.23 -1.26 -1.37 115.26 110.24 3a18 n ASN 87 Ca 0.16 -0.84 0.11 0.00 -0.53 0.00 0.00 54.58 53.48 3a18 n ASN 87 Cb 0.59 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.48 3a18 n ASN 87 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a18 n GLN 88 N -0.99 2.33 -1.05 -3.83 1.13 -1.26 -4.98 117.38 108.73 3a18 n GLN 88 Ca 0.19 -2.13 -0.02 0.00 -1.94 0.00 0.00 57.00 53.10 3a18 n GLN 88 Cb 0.09 -1.46 -0.01 0.00 0.11 0.00 0.00 30.24 28.97 3a18 n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a18 n GLY 89 N 1.32 0.53 3.80 1.08 0.00 -0.47 -5.03 105.19 106.41 3a18 n GLY 89 Ca 0.17 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 3a18 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a18 s TYR 90 N -2.00 3.76 0.07 1.61 1.51 -1.26 -4.79 117.35 116.25 3a18 s TYR 90 Ca 0.00 1.22 -0.21 0.00 -1.01 0.00 0.00 57.07 57.07 3a18 s TYR 90 Cb 0.00 -2.51 -0.07 0.00 -0.11 0.00 0.00 41.96 39.28 3a18 s TYR 90 CO 0.00 0.52 0.61 -1.21 -1.11 0.00 0.00 175.55 174.36 3a18 s GLU 91 N -0.83 4.29 -0.15 -0.62 2.02 0.23 -1.01 118.70 122.64 3a18 s GLU 91 Ca 0.29 0.81 -0.00 0.00 0.02 0.00 0.00 54.97 56.08 3a18 s GLU 91 Cb -0.19 -3.27 0.04 0.00 0.10 0.00 0.00 34.13 30.81 3a18 s GLU 91 CO 0.18 0.56 -0.06 -0.80 0.02 0.00 0.00 175.26 175.15 3a18 s ASN 92 N -0.87 2.67 -0.20 -0.19 0.01 0.15 -1.42 114.94 115.09 3a18 s ASN 92 Ca 0.31 -0.57 -0.16 0.00 -0.71 0.00 0.00 52.86 51.73 3a18 s ASN 92 Cb -0.20 -0.90 -0.04 0.00 0.41 0.00 0.00 41.25 40.53 3a18 s ASN 92 CO 0.20 -0.17 0.39 -0.76 -1.51 0.00 0.00 177.10 175.25 3a18 s LEU 93 N 1.65 4.16 -0.10 0.60 1.43 0.54 -1.63 118.68 125.33 3a18 s LEU 93 Ca 0.02 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 3a18 s LEU 93 Cb -0.15 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.60 3a18 s LEU 93 CO -0.08 -0.07 -0.09 -0.63 0.23 0.00 0.00 176.35 175.71 3a18 s ILE 94 N 1.28 1.06 -0.24 -0.59 1.01 -0.06 -0.01 121.20 123.65 3a18 s ILE 94 Ca 0.19 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 3a18 s ILE 94 Cb -0.15 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 3a18 s ILE 94 CO 0.08 0.37 0.11 -0.69 0.00 0.00 0.00 174.94 174.80 3a18 s VAL 95 N 1.45 4.77 -0.20 2.92 1.01 0.37 -0.62 120.40 130.11 3a18 s VAL 95 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 3a18 s VAL 95 Cb -0.13 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3a18 s VAL 95 CO -0.05 0.35 0.06 0.54 0.00 0.00 0.00 175.10 175.99 3a18 s VAL 96 N 1.30 4.63 -0.04 2.92 0.11 -0.60 -0.06 120.40 128.66 3a18 s VAL 96 Ca 0.06 -0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 3a18 s VAL 96 Cb -0.15 -3.10 -0.03 0.00 -1.53 0.00 0.00 36.38 31.57 3a18 s VAL 96 CO 0.05 0.43 -0.08 -0.83 -3.33 0.00 0.00 175.10 171.34 3a18 s GLY 97 N 0.69 1.69 -0.16 6.54 0.00 0.77 -2.27 107.32 114.57 3a18 s GLY 97 Ca 0.03 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.81 3a18 s GLY 97 CO 0.02 -0.76 -0.17 -0.19 0.00 0.00 0.00 173.10 171.99 3a18 s TYR 98 N -0.86 2.76 -0.03 1.90 1.51 -0.33 -0.82 117.35 121.48 3a18 s TYR 98 Ca 0.14 -1.27 0.01 0.00 -1.01 0.00 0.00 57.07 54.93 3a18 s TYR 98 Cb -0.11 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 3a18 s TYR 98 CO 0.03 -0.61 -0.02 -1.58 -1.11 0.00 0.00 175.55 172.27 3a18 s TRP 99 N 0.99 3.05 -1.66 2.71 0.51 -0.47 -1.00 118.94 123.08 3a18 s TRP 99 Ca -0.02 0.08 0.30 0.00 -2.12 0.00 0.00 56.10 54.35 3a18 s TRP 99 Cb -0.15 -1.69 1.57 0.00 -0.81 0.00 0.00 33.47 32.39 3a18 s TRP 99 CO -0.04 0.44 2.06 1.63 -0.51 0.00 0.00 176.95 180.53 3a18 n LYS 100 N 1.69 0.67 -3.47 4.98 5.02 -1.26 -1.93 118.16 123.86 3a18 n LYS 100 Ca -0.16 -0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 55.94 3a18 n LYS 100 Cb 0.53 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 3a18 n LYS 100 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3a18 s ASP 101 N -2.38 -0.52 0.11 4.39 -4.77 -1.24 -4.61 116.67 107.65 3a18 s ASP 101 Ca 0.34 0.01 -0.13 0.00 -3.30 0.00 0.00 52.55 49.48 3a18 s ASP 101 Cb 0.21 0.57 -0.11 0.00 -1.09 0.00 0.00 42.92 42.50 3a18 s ASP 101 CO 0.44 -0.91 1.37 0.58 0.70 0.00 0.00 175.17 177.34 3a18 h VAL 102 N 2.17 1.29 -0.63 2.11 2.07 -1.90 -3.22 116.25 118.14 3a18 h VAL 102 Ca -0.33 -1.74 -0.04 0.00 0.82 0.00 0.00 66.70 65.40 3a18 h VAL 102 Cb 1.28 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 3a18 h VAL 102 CO 0.40 0.56 0.23 0.77 0.02 0.00 0.00 177.57 179.54 3a18 h SER 103 N 0.56 0.89 -0.52 0.57 4.64 -1.97 -1.33 113.55 116.39 3a18 h SER 103 Ca 0.00 -0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 3a18 h SER 103 Cb 1.16 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.98 3a18 h SER 103 CO 0.12 0.84 0.31 0.77 -0.87 0.00 0.00 176.83 177.99 3a18 h SER 104 N 0.89 0.49 -0.69 4.97 4.64 -1.92 -0.49 113.55 121.44 3a18 h SER 104 Ca 0.21 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 3a18 h SER 104 Cb 0.24 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3a18 h SER 104 CO -0.01 0.35 0.22 -0.61 -0.87 0.00 0.00 176.83 175.90 3a18 h GLN 105 N 0.61 1.07 -0.29 4.77 -0.00 -1.48 -0.40 115.11 119.39 3a18 h GLN 105 Ca 0.21 -0.23 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 3a18 h GLN 105 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.35 3a18 h GLN 105 CO -0.10 0.92 0.07 1.25 0.00 0.00 0.00 178.83 180.97 3a18 h HIS 106 N 1.01 0.48 -0.85 3.99 2.76 -1.10 -1.07 115.15 120.37 3a18 h HIS 106 Ca 0.22 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 3a18 h HIS 106 Cb 0.30 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.07 3a18 h HIS 106 CO 0.02 0.53 0.56 0.00 -1.30 0.00 0.00 177.93 177.74 3a18 h ARG 107 N 0.29 1.00 0.05 5.26 3.08 -0.90 -1.38 114.38 121.79 3a18 h ARG 107 Ca 0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3a18 h ARG 107 Cb 0.29 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3a18 h ARG 107 CO 0.00 0.66 -0.02 2.35 -1.07 0.00 0.00 179.97 181.89 3a18 h TRP 108 N 1.03 -0.06 0.00 3.04 7.01 -0.85 -2.38 115.95 123.73 3a18 h TRP 108 Ca 0.34 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.27 3a18 h TRP 108 Cb 0.07 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 3a18 h TRP 108 CO -0.00 0.27 -0.34 0.66 -2.79 0.00 0.00 178.44 176.24 3a18 h SER 109 N -0.40 0.00 0.85 2.65 4.64 -1.00 -2.78 113.55 117.51 3a18 h SER 109 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3a18 h SER 109 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3a18 h SER 109 CO 0.01 0.34 -0.58 0.35 -0.87 0.00 0.00 176.83 176.08 3a18 n THR 110 N -3.50 0.32 -1.79 2.95 -2.24 -0.54 -3.41 114.28 106.08 3a18 n THR 110 Ca -0.00 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 3a18 n THR 110 Cb 0.49 -0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3a18 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a18 s SER 111 N -4.08 6.10 0.18 3.42 1.04 -0.90 -4.68 113.70 114.79 3a18 s SER 111 Ca 0.07 3.00 -0.15 0.00 0.48 0.00 0.00 55.95 59.35 3a18 s SER 111 Cb 0.14 -2.66 0.16 0.00 0.10 0.00 0.00 66.02 63.76 3a18 s SER 111 CO 0.71 -1.03 1.66 0.74 0.98 0.00 0.00 173.24 176.30 3a18 h THR 112 N 2.65 0.55 0.00 2.02 2.02 -1.91 0.74 112.91 118.98 3a18 h THR 112 Ca -0.51 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 3a18 h THR 112 Cb 1.25 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3a18 h THR 112 CO 0.63 0.01 -0.09 -0.65 0.37 0.00 0.00 175.52 175.78 3a18 h PRO 113 N 0.03 0.00 0.11 6.66 0.11 -1.93 -0.08 132.00 136.91 3a18 h PRO 113 Ca 0.24 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.07 3a18 h PRO 113 Cb 0.36 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3a18 h PRO 113 CO -0.47 0.09 -1.42 0.82 -0.21 0.00 0.00 178.00 176.82 3a18 h ILE 114 N 0.00 1.02 -0.39 4.15 1.08 -1.61 -3.31 117.51 118.44 3a18 h ILE 114 Ca -0.00 -2.39 -0.09 0.00 -0.39 0.00 0.00 64.86 61.99 3a18 h ILE 114 Cb 0.17 2.69 -0.01 0.00 -3.07 0.00 0.00 36.82 36.60 3a18 h ILE 114 CO 0.01 0.70 -0.10 0.00 -0.69 0.00 0.00 178.15 178.06 3a18 h ALA 115 N -0.06 0.54 0.00 1.87 0.00 -0.71 -2.80 119.26 118.10 3a18 h ALA 115 Ca -0.31 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 3a18 h ALA 115 Cb 1.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3a18 h ALA 115 CO 0.05 0.42 -0.29 0.66 0.00 0.00 0.00 179.25 180.09 3a18 h SER 116 N 0.58 0.00 -0.15 0.00 4.64 -1.21 -1.69 113.55 115.72 3a18 h SER 116 Ca 0.10 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 3a18 h SER 116 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3a18 h SER 116 CO 0.04 0.29 -0.34 -0.25 -0.87 0.00 0.00 176.83 175.70 3a18 h TRP 117 N 0.00 0.63 -0.11 4.77 7.01 -1.63 -2.47 115.95 124.15 3a18 h TRP 117 Ca -0.00 -0.24 -0.16 0.00 2.11 0.00 0.00 58.89 60.60 3a18 h TRP 117 Cb 0.56 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 3a18 h TRP 117 CO 0.00 0.97 -0.62 2.35 -2.79 0.00 0.00 178.44 178.35 3a18 h TRP 118 N 0.11 0.49 -0.00 2.65 2.91 -1.35 -3.05 115.95 117.70 3a18 h TRP 118 Ca -0.00 -0.19 0.00 0.00 1.13 0.00 0.00 58.89 59.83 3a18 h TRP 118 Cb 0.95 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.51 3a18 h TRP 118 CO 0.10 0.90 -0.14 0.39 -1.03 0.00 0.00 178.44 178.65 3a18 n GLU 119 N -3.89 0.74 -2.06 2.65 1.02 -0.65 -4.94 120.64 113.51 3a18 n GLU 119 Ca -0.03 -0.31 -0.36 0.00 -0.02 0.00 0.00 57.16 56.44 3a18 n GLU 119 Cb 0.64 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.59 3a18 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a18 s SER 120 N -2.47 5.38 0.47 1.62 0.15 -0.93 -4.92 113.70 113.00 3a18 s SER 120 Ca 0.28 2.37 0.25 0.00 0.70 0.00 0.00 55.95 59.55 3a18 s SER 120 Cb 0.20 -2.60 1.13 0.00 -1.71 0.00 0.00 66.02 63.04 3a18 s SER 120 CO 0.48 -1.46 1.93 1.05 1.20 0.00 0.00 173.24 176.44 3a18 h GLU 121 N 1.09 0.00 -0.15 5.44 9.09 -1.90 -2.70 114.58 125.46 3a18 h GLU 121 Ca -0.50 0.00 0.04 0.00 0.05 0.00 0.00 59.36 58.95 3a18 h GLU 121 Cb 1.29 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.38 3a18 h GLU 121 CO 0.56 0.19 0.15 -0.44 0.05 0.00 0.00 179.01 179.52 3a18 h ASP 122 N 0.00 0.00 0.08 3.06 3.32 -1.92 -1.90 116.42 119.06 3a18 h ASP 122 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3a18 h ASP 122 Cb 0.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3a18 h ASP 122 CO 0.02 0.00 -0.28 0.03 -1.72 0.00 0.00 179.24 177.30 3a18 h ARG 123 N 0.00 0.32 0.05 3.56 2.47 -1.77 0.38 114.38 119.39 3a18 h ARG 123 Ca 0.07 -0.12 -0.28 0.00 -1.26 0.00 0.00 59.98 58.40 3a18 h ARG 123 Cb 0.37 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 3a18 h ARG 123 CO -0.00 0.57 -1.47 -0.07 0.56 0.00 0.00 179.97 179.56 3a18 h LEU 124 N 0.28 0.15 0.00 3.04 3.38 -1.55 -3.36 115.31 117.26 3a18 h LEU 124 Ca 0.04 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3a18 h LEU 124 Cb 0.64 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3a18 h LEU 124 CO 0.05 1.20 -0.36 0.77 0.09 0.00 0.00 178.44 180.18 3a18 h SER 125 N 0.03 0.00 -0.74 -0.43 4.64 -1.37 -3.36 113.55 112.32 3a18 h SER 125 Ca -0.20 -0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.17 3a18 h SER 125 Cb 1.95 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.99 3a18 h SER 125 CO 0.12 0.01 0.49 0.44 -0.87 0.00 0.00 176.83 177.02 3a18 h ASP 126 N 0.00 0.64 0.00 4.97 3.32 -1.07 -3.46 116.42 120.83 3a18 h ASP 126 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3a18 h ASP 126 Cb 0.94 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3a18 h ASP 126 CO 0.00 0.40 0.00 0.61 -1.72 0.00 0.00 179.24 178.53 3a18 n GLY 127 N -1.45 1.67 3.90 2.75 0.00 -1.26 -5.04 105.19 105.76 3a18 n GLY 127 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3a18 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a18 s LEU 128 N 0.00 3.90 0.26 0.99 1.43 -1.26 -4.98 118.68 119.02 3a18 s LEU 128 Ca 0.00 0.86 -0.16 0.00 -1.03 0.00 0.00 54.13 53.80 3a18 s LEU 128 Cb 0.00 -3.73 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 3a18 s LEU 128 CO 0.00 -0.34 0.70 -0.83 0.23 0.00 0.00 176.35 176.11 3a18 s GLY 129 N -3.41 2.44 0.01 -3.19 0.00 0.88 -4.71 107.32 99.34 3a18 s GLY 129 Ca 0.46 0.04 0.02 0.00 0.00 0.00 0.00 44.72 45.25 3a18 s GLY 129 CO 0.34 0.30 -0.08 -1.36 0.00 0.00 0.00 173.10 172.30 3a18 s PHE 130 N -1.75 0.66 0.05 1.90 0.08 0.19 -0.74 117.98 118.37 3a18 s PHE 130 Ca 0.48 -0.25 -0.06 0.00 0.12 0.00 0.00 56.93 57.22 3a18 s PHE 130 Cb -0.13 -0.41 -0.01 0.00 -0.57 0.00 0.00 43.02 41.90 3a18 s PHE 130 CO 0.19 -0.03 0.10 -0.59 -0.10 0.00 0.00 175.22 174.80 3a18 s PHE 131 N -0.59 0.23 -0.13 0.36 -0.12 -0.73 0.03 117.98 117.02 3a18 s PHE 131 Ca -0.01 -0.59 -0.01 0.00 -0.05 0.00 0.00 56.93 56.27 3a18 s PHE 131 Cb -0.05 -0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.22 3a18 s PHE 131 CO 0.00 -0.41 -0.02 1.03 -0.05 0.00 0.00 175.22 175.77 3a18 s ARG 132 N -3.04 1.06 -0.41 1.99 0.52 0.02 -0.95 118.95 118.14 3a18 s ARG 132 Ca -0.01 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 3a18 s ARG 132 Cb 0.01 -1.65 0.11 0.00 0.52 0.00 0.00 34.95 33.94 3a18 s ARG 132 CO -0.07 -0.40 0.15 -1.21 0.02 0.00 0.00 175.30 173.79 3a18 s GLU 133 N 1.79 1.76 -0.15 3.54 2.02 -0.20 -0.15 118.70 127.31 3a18 s GLU 133 Ca 0.02 -2.06 -0.01 0.00 0.02 0.00 0.00 54.97 52.95 3a18 s GLU 133 Cb -0.14 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.73 3a18 s GLU 133 CO -0.07 -1.02 -0.12 0.42 0.02 0.00 0.00 175.26 174.49 3a18 s ILE 134 N 0.65 3.05 0.06 -1.63 1.01 -0.25 -1.57 121.20 122.53 3a18 s ILE 134 Ca 0.12 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.15 3a18 s ILE 134 Cb -0.21 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3a18 s ILE 134 CO -0.05 0.51 -0.08 0.68 0.00 0.00 0.00 174.94 175.99 3a18 s VAL 135 N 0.63 0.61 -0.45 2.92 -7.23 -0.67 -0.76 120.40 115.45 3a18 s VAL 135 Ca -0.07 -1.31 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 3a18 s VAL 135 Cb -0.15 -0.91 0.17 0.00 0.56 0.00 0.00 36.38 36.05 3a18 s VAL 135 CO 0.03 -0.50 0.37 0.00 -0.31 0.00 0.00 175.10 174.69 3a18 n ALA 136 N 1.07 2.92 -1.81 1.32 0.00 -0.31 -0.51 120.51 123.18 3a18 n ALA 136 Ca -0.20 -3.29 -0.40 0.00 0.00 0.00 0.00 53.44 49.55 3a18 n ALA 136 Cb 0.56 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 19.18 3a18 n ALA 136 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3a18 s PRO 137 N -0.18 4.69 0.88 0.00 0.04 -1.17 -4.77 135.00 134.48 3a18 s PRO 137 Ca 0.32 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 3a18 s PRO 137 Cb 0.04 -3.23 0.12 0.00 0.04 0.00 0.00 34.50 31.47 3a18 s PRO 137 CO -0.19 0.27 1.10 1.03 0.04 0.00 0.00 177.00 179.25 3a18 s ARG 138 N -1.20 1.39 0.51 4.56 0.52 -1.26 -1.52 118.95 121.94 3a18 s ARG 138 Ca 0.44 1.08 0.19 0.00 -0.52 0.00 0.00 55.73 56.93 3a18 s ARG 138 Cb -0.30 -1.80 1.27 0.00 0.52 0.00 0.00 34.95 34.64 3a18 s ARG 138 CO 0.38 -2.23 2.06 0.00 0.02 0.00 0.00 175.30 175.53 3a18 h ALA 139 N -1.55 2.19 0.00 2.13 0.00 -0.55 0.15 119.26 121.64 3a18 h ALA 139 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3a18 h ALA 139 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3a18 h ALA 139 CO 0.51 -0.27 0.00 -0.85 0.00 0.00 0.00 179.25 178.63 3a18 n GLU 140 N -4.46 0.14 -0.42 0.00 0.28 -1.26 -3.73 120.64 111.20 3a18 n GLU 140 Ca 0.04 0.26 0.08 0.00 -0.16 0.00 0.00 57.16 57.38 3a18 n GLU 140 Cb 0.34 -1.71 0.25 0.00 1.43 0.00 0.00 31.44 31.74 3a18 n GLU 140 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3a18 n GLN 141 N -1.97 3.11 -3.96 3.44 6.02 0.54 -1.58 117.38 122.97 3a18 n GLN 141 Ca 0.04 -2.65 -0.09 0.00 -0.01 0.00 0.00 57.00 54.29 3a18 n GLN 141 Cb 0.29 -1.72 -0.10 0.00 1.02 0.00 0.00 30.24 29.73 3a18 n GLN 141 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3a18 s PHE 142 N -2.24 0.27 0.11 1.08 -0.12 -1.23 -0.93 117.98 114.92 3a18 s PHE 142 Ca 0.39 -0.61 0.05 0.00 -0.05 0.00 0.00 56.93 56.70 3a18 s PHE 142 Cb 0.28 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 3a18 s PHE 142 CO 0.13 -0.34 -0.13 -1.83 -0.05 0.00 0.00 175.22 172.99 3a18 s GLU 143 N -2.69 0.96 0.13 1.99 4.04 -0.17 -4.61 118.70 118.34 3a18 s GLU 143 Ca -0.04 -1.21 0.07 0.00 0.04 0.00 0.00 54.97 53.83 3a18 s GLU 143 Cb -0.01 -0.79 -0.04 0.00 0.02 0.00 0.00 34.13 33.32 3a18 s GLU 143 CO -0.05 0.14 -0.16 0.95 -1.84 0.00 0.00 175.26 174.31 3a18 s THR 144 N -2.21 1.49 -0.13 1.83 -4.23 -1.26 -1.49 115.64 109.64 3a18 s THR 144 Ca 0.08 -1.74 -0.06 0.00 -1.18 0.00 0.00 61.69 58.79 3a18 s THR 144 Cb -0.04 -1.60 0.06 0.00 1.34 0.00 0.00 72.50 72.25 3a18 s THR 144 CO 0.02 -0.35 0.30 -0.22 -0.54 0.00 0.00 174.62 173.83 3a18 s LEU 145 N -2.43 -0.05 -0.05 4.79 2.96 -0.26 -4.64 118.68 118.99 3a18 s LEU 145 Ca 0.10 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 3a18 s LEU 145 Cb -0.06 0.88 0.01 0.00 0.50 0.00 0.00 46.19 47.52 3a18 s LEU 145 CO 0.04 -0.20 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.43 3a18 s TYR 146 N 1.86 1.36 -0.47 5.38 2.02 0.32 -1.11 117.35 126.72 3a18 s TYR 146 Ca -0.05 -0.44 0.05 0.00 -0.37 0.00 0.00 57.07 56.26 3a18 s TYR 146 Cb -0.11 -0.98 0.38 0.00 -0.40 0.00 0.00 41.96 40.85 3a18 s TYR 146 CO -0.10 -0.21 1.25 0.00 -1.57 0.00 0.00 175.55 174.93 3a18 n ALA 147 N 3.55 3.52 -3.64 3.71 0.00 -0.32 -1.22 120.51 126.11 3a18 n ALA 147 Ca -0.21 -1.13 -0.08 0.00 0.00 0.00 0.00 53.44 52.01 3a18 n ALA 147 Cb 0.53 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 3a18 n ALA 147 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3a18 s PHE 148 N -1.77 0.09 -0.00 0.00 -0.71 -1.26 -4.81 117.98 109.52 3a18 s PHE 148 Ca 0.27 -0.57 0.01 0.00 -1.04 0.00 0.00 56.93 55.60 3a18 s PHE 148 Cb 0.22 0.58 -0.01 0.00 -1.21 0.00 0.00 43.02 42.60 3a18 s PHE 148 CO 0.07 -1.26 0.01 1.04 -1.34 0.00 0.00 175.22 173.74 3a18 n GLN 149 N -0.47 0.99 -4.40 1.99 6.02 -1.26 -4.67 117.38 115.59 3a18 n GLN 149 Ca -0.04 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.63 3a18 n GLN 149 Cb 0.60 -0.94 -0.10 0.00 1.02 0.00 0.00 30.24 30.82 3a18 n GLN 149 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3a18 s GLU 150 N -1.90 2.48 -0.84 -1.09 1.03 -1.26 -4.75 118.70 112.37 3a18 s GLU 150 Ca -0.00 -0.78 -0.03 0.00 0.03 0.00 0.00 54.97 54.19 3a18 s GLU 150 Cb 0.00 -2.47 -0.03 0.00 -0.80 0.00 0.00 34.13 30.83 3a18 s GLU 150 CO 0.02 0.58 0.73 -3.47 -1.33 0.00 0.00 175.26 171.79 3a18 n ASP 151 N 1.33 -4.23 -4.71 0.83 2.03 -1.26 -4.88 116.55 105.66 3a18 n ASP 151 Ca -0.15 -0.52 -0.42 0.00 0.52 0.00 0.00 54.79 54.23 3a18 n ASP 151 Cb 0.52 -4.08 -0.03 0.00 -0.72 0.00 0.00 41.12 36.82 3a18 n ASP 151 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3a18 s LEU 152 N -5.01 4.36 0.60 -2.67 1.43 -1.26 -5.02 118.68 111.11 3a18 s LEU 152 Ca 0.22 2.42 -0.07 0.00 -1.03 0.00 0.00 54.13 55.67 3a18 s LEU 152 Cb -0.03 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.62 3a18 s LEU 152 CO 0.56 -0.74 0.93 -2.16 0.23 0.00 0.00 176.35 175.17 3a18 s PRO 153 N 1.43 2.94 5.16 1.29 0.04 -1.26 -3.29 135.00 141.30 3a18 s PRO 153 Ca 0.67 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.79 3a18 s PRO 153 Cb -0.39 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 31.91 3a18 s PRO 153 CO 0.30 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.03 3a18 n GLY 154 N -2.63 2.03 0.28 0.56 0.00 -1.26 -2.95 105.19 101.21 3a18 n GLY 154 Ca 0.05 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3a18 n GLY 154 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a18 h VAL 155 N 0.00 0.72 -0.06 1.61 3.04 -1.99 -1.35 116.25 118.22 3a18 h VAL 155 Ca 0.00 -0.12 0.02 0.00 -1.01 0.00 0.00 66.70 65.59 3a18 h VAL 155 Cb 0.00 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.35 3a18 h VAL 155 CO 0.00 0.03 0.05 1.23 -1.01 0.00 0.00 177.57 177.87 3a18 h GLY 156 N 0.14 0.00 2.00 3.17 0.00 -1.82 -1.61 103.07 104.95 3a18 h GLY 156 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3a18 h GLY 156 CO 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.46 3a18 h ALA 157 N 1.95 1.04 -0.02 3.60 0.00 -1.23 -2.87 119.26 121.73 3a18 h ALA 157 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3a18 h ALA 157 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3a18 h ALA 157 CO -0.00 0.10 -0.27 1.33 0.00 0.00 0.00 179.25 180.41 3a18 n VAL 158 N -3.24 0.00 -2.11 0.00 0.24 -0.62 -4.95 118.33 107.65 3a18 n VAL 158 Ca 0.00 -0.37 -0.28 0.00 -2.04 0.00 0.00 64.34 61.65 3a18 n VAL 158 Cb 0.32 1.32 0.16 0.00 -1.47 0.00 0.00 33.84 34.18 3a18 n VAL 158 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3a18 s MET 159 N -2.13 0.96 0.03 7.34 -1.94 -1.08 -4.96 119.30 117.52 3a18 s MET 159 Ca 0.20 -0.58 0.03 0.00 -1.71 0.00 0.00 55.69 53.63 3a18 s MET 159 Cb 0.17 -1.98 -0.25 0.00 2.01 0.00 0.00 34.83 34.79 3a18 s MET 159 CO 0.43 -2.13 0.94 -0.44 -0.01 0.00 0.00 175.02 173.81 3a18 h ASP 160 N -1.32 0.19 0.00 3.03 3.32 -0.35 -3.49 116.42 117.79 3a18 h ASP 160 Ca -0.42 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.37 3a18 h ASP 160 Cb 1.25 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3a18 h ASP 160 CO 0.39 1.22 0.00 0.61 -1.72 0.00 0.00 179.24 179.74 3a18 n GLY 161 N 1.55 -0.58 3.77 2.75 0.00 -0.61 -5.00 105.19 107.06 3a18 n GLY 161 Ca -0.12 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 3a18 n GLY 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a18 s ILE 162 N -3.00 4.54 0.88 -0.61 1.10 -1.26 -0.15 121.20 122.69 3a18 s ILE 162 Ca 0.00 -0.67 -0.12 0.00 -0.51 0.00 0.00 60.65 59.36 3a18 s ILE 162 Cb 0.00 -3.14 0.17 0.00 0.15 0.00 0.00 42.46 39.64 3a18 s ILE 162 CO 0.00 0.20 1.22 -0.94 -2.11 0.00 0.00 174.94 173.31 3a18 s SER 163 N -2.15 3.58 1.01 4.50 1.04 -0.43 -4.77 113.70 116.48 3a18 s SER 163 Ca 0.27 0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.78 3a18 s SER 163 Cb -0.12 -0.32 0.08 0.00 0.10 0.00 0.00 66.02 65.76 3a18 s SER 163 CO 0.19 -2.42 0.42 0.61 0.98 0.00 0.00 173.24 173.02 3a18 n GLY 164 N -3.47 -1.49 3.73 7.32 0.00 -1.26 -4.73 105.19 105.29 3a18 n GLY 164 Ca 0.14 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 3a18 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a18 s GLU 165 N -3.92 4.18 0.06 1.61 2.02 -1.26 -4.54 118.70 116.85 3a18 s GLU 165 Ca 0.24 2.47 0.01 0.00 0.02 0.00 0.00 54.97 57.71 3a18 s GLU 165 Cb -0.01 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 3a18 s GLU 165 CO 0.17 -0.63 0.14 0.96 0.02 0.00 0.00 175.26 175.92 3a18 s ILE 166 N 0.73 4.94 0.07 -1.63 -4.36 -0.70 -3.42 121.20 116.83 3a18 s ILE 166 Ca 0.68 -0.55 -0.16 0.00 -0.26 0.00 0.00 60.65 60.36 3a18 s ILE 166 Cb -0.46 -3.38 -0.14 0.00 1.25 0.00 0.00 42.46 39.73 3a18 s ILE 166 CO 0.37 0.16 1.31 -1.13 0.24 0.00 0.00 174.94 175.89 3a18 h ASN 167 N 3.31 0.73 -0.27 4.36 -0.73 -1.58 -3.41 115.58 117.99 3a18 h ASN 167 Ca -0.46 -0.58 -0.70 0.00 1.87 0.00 0.00 56.30 56.42 3a18 h ASN 167 Cb 1.16 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 39.52 3a18 h ASN 167 CO 0.70 1.18 3.29 -0.62 -0.37 0.00 0.00 177.43 181.60 3a18 n GLU 168 N -4.19 3.54 -3.89 6.67 4.71 -1.26 -4.48 120.64 121.74 3a18 n GLU 168 Ca -0.07 -2.61 -0.09 0.00 -0.01 0.00 0.00 57.16 54.39 3a18 n GLU 168 Cb 0.58 -2.95 -0.04 0.00 -1.01 0.00 0.00 31.44 28.03 3a18 n GLU 168 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 3a18 s HIS 169 N 1.91 0.11 0.00 -0.32 -3.43 -1.26 -4.68 115.29 107.61 3a18 s HIS 169 Ca 0.58 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 3a18 s HIS 169 Cb 0.16 0.35 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 3a18 s HIS 169 CO -0.07 -1.02 0.00 0.41 -2.00 0.00 0.00 174.74 172.07 3a18 n GLY 170 N -0.38 0.88 3.34 -1.38 0.00 -1.26 -4.63 105.19 101.77 3a18 n GLY 170 Ca -0.05 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 3a18 n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a18 s TYR 171 N -2.00 -0.39 0.19 1.61 1.13 -1.26 -4.93 117.35 111.70 3a18 s TYR 171 Ca 0.00 0.74 -0.32 0.00 -1.41 0.00 0.00 57.07 56.09 3a18 s TYR 171 Cb 0.00 0.20 -0.11 0.00 -1.10 0.00 0.00 41.96 40.95 3a18 s TYR 171 CO 0.00 -0.41 1.65 -1.58 -2.51 0.00 0.00 175.55 172.70 3a18 s TRP 172 N -0.89 2.98 0.00 -3.49 0.52 -1.26 -1.39 118.94 115.41 3a18 s TRP 172 Ca -0.09 0.48 0.00 0.00 0.02 0.00 0.00 56.10 56.51 3a18 s TRP 172 Cb -0.03 -4.04 0.00 0.00 -1.15 0.00 0.00 33.47 28.25 3a18 s TRP 172 CO 0.05 -3.89 0.00 0.41 0.02 0.00 0.00 176.95 173.53 3a18 n GLY 173 N 3.85 0.16 0.20 0.98 0.00 -1.26 -4.97 105.19 104.15 3a18 n GLY 173 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 3a18 n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a18 h SER 174 N 0.00 0.42 -0.17 1.61 4.64 -1.55 -2.87 113.55 115.62 3a18 h SER 174 Ca 0.00 -0.20 0.04 0.00 -0.47 0.00 0.00 61.79 61.16 3a18 h SER 174 Cb 0.00 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 3a18 h SER 174 CO 0.00 0.84 -0.10 -0.03 -0.87 0.00 0.00 176.83 176.67 3a18 h MET 175 N 0.31 -0.09 -0.60 4.77 -1.53 -1.83 -1.74 114.93 114.21 3a18 h MET 175 Ca 0.02 0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.37 3a18 h MET 175 Cb 0.97 0.02 -0.07 0.00 -0.55 0.00 0.00 31.60 31.97 3a18 h MET 175 CO 0.08 -0.06 0.24 -0.09 0.14 0.00 0.00 176.91 177.23 3a18 h ARG 176 N -0.09 0.43 0.00 0.39 2.43 -1.94 -1.82 114.38 113.78 3a18 h ARG 176 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3a18 h ARG 176 Cb 0.24 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3a18 h ARG 176 CO -0.23 0.28 0.00 0.93 -1.51 0.00 0.00 179.97 179.44 3a18 h GLU 177 N 0.44 0.00 0.00 0.20 5.08 -1.24 -2.06 114.58 117.00 3a18 h GLU 177 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3a18 h GLU 177 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3a18 h GLU 177 CO -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.73 3a18 h ARG 178 N 0.00 0.00 -6.24 2.33 3.08 -0.43 -3.43 114.38 109.68 3a18 h ARG 178 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3a18 h ARG 178 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3a18 h ARG 178 CO 0.00 0.00 1.07 -0.06 -1.07 0.00 0.00 179.97 179.91 3a18 s PHE 179 N -3.25 2.15 0.42 3.04 0.40 -0.77 -4.59 117.98 115.37 3a18 s PHE 179 Ca 0.07 0.40 0.11 0.00 -0.60 0.00 0.00 56.93 56.91 3a18 s PHE 179 Cb 0.06 -3.85 0.95 0.00 0.51 0.00 0.00 43.02 40.69 3a18 s PHE 179 CO 0.65 -3.31 1.98 -1.35 0.70 0.00 0.00 175.22 173.89 3a18 h PRO 180 N 9.55 0.48 0.00 0.24 0.11 -1.81 -1.54 132.00 139.03 3a18 h PRO 180 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3a18 h PRO 180 Cb 1.16 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3a18 h PRO 180 CO 0.97 0.32 0.00 0.97 -0.21 0.00 0.00 178.00 180.04 3a18 h ILE 181 N 0.50 0.00 0.00 4.15 2.10 -1.64 -2.60 117.51 120.01 3a18 h ILE 181 Ca 0.27 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 66.03 3a18 h ILE 181 Cb 0.41 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 3a18 h ILE 181 CO -0.08 0.00 0.00 0.77 -1.08 0.00 0.00 178.15 177.76 3a18 h SER 182 N 0.00 0.00 0.11 2.19 4.64 -1.45 0.45 113.55 119.49 3a18 h SER 182 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a18 h SER 182 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3a18 h SER 182 CO 0.00 0.00 -0.02 1.56 -0.87 0.00 0.00 176.83 177.50 3a18 h GLN 183 N 0.00 0.00 0.00 4.77 4.20 -1.64 -3.37 115.11 119.07 3a18 h GLN 183 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3a18 h GLN 183 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3a18 h GLN 183 CO 0.00 0.02 -0.13 0.25 -0.67 0.00 0.00 178.83 178.30 3a18 n THR 184 N -3.43 0.00 -4.94 -0.54 -2.24 -0.45 -1.28 114.28 101.40 3a18 n THR 184 Ca -0.03 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.49 3a18 n THR 184 Cb 0.11 -0.06 -0.16 0.00 -2.10 0.00 0.00 70.33 68.12 3a18 n THR 184 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a18 s ASP 185 N -0.90 2.31 0.44 3.42 -1.08 0.15 -4.74 116.67 116.26 3a18 s ASP 185 Ca 0.00 -0.37 0.28 0.00 -0.52 0.00 0.00 52.55 51.94 3a18 s ASP 185 Cb 0.00 -0.40 0.87 0.00 -1.46 0.00 0.00 42.92 41.93 3a18 s ASP 185 CO 0.00 0.22 1.79 -0.50 0.52 0.00 0.00 175.17 177.19 3a18 h TRP 186 N 5.86 0.00 -6.14 -5.34 4.06 -1.91 -3.37 115.95 109.11 3a18 h TRP 186 Ca -0.36 0.00 -0.46 0.00 2.06 0.00 0.00 58.89 60.13 3a18 h TRP 186 Cb 1.15 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.31 3a18 h TRP 186 CO 0.41 0.00 -0.73 -1.33 -3.56 0.00 0.00 178.44 173.23 3a18 n MET 187 N -2.90 -5.84 -2.32 0.49 2.81 -1.26 -4.92 117.12 103.17 3a18 n MET 187 Ca 0.03 0.64 -0.42 0.00 -1.81 0.00 0.00 57.70 56.14 3a18 n MET 187 Cb 0.40 -5.56 -0.03 0.00 -0.71 0.00 0.00 33.22 27.32 3a18 n MET 187 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3a18 s GLN 188 N -6.53 4.41 0.35 0.03 0.74 -1.26 -4.61 119.66 112.80 3a18 s GLN 188 Ca 0.64 1.91 -0.26 0.00 0.05 0.00 0.00 55.36 57.70 3a18 s GLN 188 Cb -0.31 -3.27 -0.09 0.00 1.10 0.00 0.00 33.01 30.43 3a18 s GLN 188 CO 0.79 -0.26 1.09 0.00 -0.55 0.00 0.00 175.29 176.36 3a18 s ALA 189 N 0.64 3.23 0.04 1.58 0.00 -1.26 -4.64 121.76 121.34 3a18 s ALA 189 Ca 0.58 0.83 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 3a18 s ALA 189 Cb -0.33 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.51 3a18 s ALA 189 CO 0.33 -0.25 0.43 -1.54 0.00 0.00 0.00 175.76 174.73 3a18 s SER 190 N -1.21 -0.31 0.00 0.00 1.04 -1.14 -5.03 113.70 107.05 3a18 s SER 190 Ca 0.52 0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.00 3a18 s SER 190 Cb -0.28 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3a18 s SER 190 CO 0.35 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.52 3a18 n GLY 191 N 0.55 -2.16 3.04 7.32 0.00 -1.26 -1.96 105.19 110.71 3a18 n GLY 191 Ca -0.19 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 3a18 n GLY 191 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3a18 s GLU 192 N -0.19 0.46 -0.13 1.61 -1.05 -1.26 -4.89 118.70 113.25 3a18 s GLU 192 Ca 0.00 -0.83 -0.29 0.00 -0.15 0.00 0.00 54.97 53.70 3a18 s GLU 192 Cb 0.00 0.02 -0.02 0.00 -0.44 0.00 0.00 34.13 33.69 3a18 s GLU 192 CO 0.00 -0.04 1.30 -1.17 0.95 0.00 0.00 175.26 176.30 3a18 s LEU 193 N -1.92 4.21 -0.01 1.83 2.96 -1.26 -4.21 118.68 120.28 3a18 s LEU 193 Ca -0.08 1.78 -0.01 0.00 -0.22 0.00 0.00 54.13 55.60 3a18 s LEU 193 Cb -0.05 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3a18 s LEU 193 CO -0.03 -0.75 0.03 0.00 -1.32 0.00 0.00 176.35 174.28 3a18 s ARG 194 N 3.32 0.04 -0.07 1.98 1.70 -0.66 -0.38 118.95 124.88 3a18 s ARG 194 Ca 0.57 0.04 -0.30 0.00 -0.47 0.00 0.00 55.73 55.57 3a18 s ARG 194 Cb -0.24 0.02 -0.03 0.00 -0.57 0.00 0.00 34.95 34.13 3a18 s ARG 194 CO 0.18 -0.00 1.28 0.08 -1.08 0.00 0.00 175.30 175.75 3a18 s VAL 195 N 0.01 4.11 -0.47 4.99 1.01 0.16 -0.61 120.40 129.60 3a18 s VAL 195 Ca -0.00 1.43 0.16 0.00 0.00 0.00 0.00 61.98 63.57 3a18 s VAL 195 Cb -0.00 -3.92 -0.20 0.00 0.00 0.00 0.00 36.38 32.25 3a18 s VAL 195 CO 0.00 -0.03 0.55 2.30 0.00 0.00 0.00 175.10 177.92 3a18 n ILE 196 N 4.82 0.00 -3.70 2.22 -5.35 0.53 -4.30 119.36 113.58 3a18 n ILE 196 Ca 0.12 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 3a18 n ILE 196 Cb 0.45 0.66 -0.09 0.00 -1.74 0.00 0.00 39.64 38.92 3a18 n ILE 196 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a18 s ALA 197 N -2.74 -1.25 0.00 -1.28 0.00 -1.11 -4.98 121.76 110.40 3a18 s ALA 197 Ca 0.01 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3a18 s ALA 197 Cb 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3a18 s ALA 197 CO 0.66 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.59 3a18 n GLY 198 N 2.92 -1.82 3.25 0.00 0.00 -1.26 -1.24 105.19 107.05 3a18 n GLY 198 Ca -0.14 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 3a18 n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a18 s ASP 199 N -4.00 -0.22 0.52 1.61 2.15 -1.26 -4.72 116.67 110.75 3a18 s ASP 199 Ca 0.00 0.97 0.17 0.00 0.43 0.00 0.00 52.55 54.12 3a18 s ASP 199 Cb 0.00 1.31 1.31 0.00 -0.30 0.00 0.00 42.92 45.25 3a18 s ASP 199 CO 0.00 -0.23 2.15 -0.65 -0.17 0.00 0.00 175.17 176.27 3a18 h PRO 200 N 8.18 0.00 0.00 4.34 0.11 -1.92 -2.54 132.00 140.16 3a18 h PRO 200 Ca -0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 3a18 h PRO 200 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3a18 h PRO 200 CO 0.12 0.01 -0.16 0.00 -0.21 0.00 0.00 178.00 177.76 3a18 h ALA 201 N 1.99 1.09 0.00 -0.75 0.00 -1.96 -3.11 119.26 116.52 3a18 h ALA 201 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3a18 h ALA 201 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3a18 h ALA 201 CO 0.00 0.20 -1.34 0.28 0.00 0.00 0.00 179.25 178.40 3a18 n VAL 202 N -3.42 0.00 -4.04 0.00 0.31 -0.97 -5.03 118.33 105.18 3a18 n VAL 202 Ca -0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3a18 n VAL 202 Cb 0.35 0.65 0.00 0.00 -0.91 0.00 0.00 33.84 33.93 3a18 n VAL 202 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a18 n GLY 203 N 1.42 -0.29 7.00 2.92 0.00 -1.18 -5.05 105.19 110.01 3a18 n GLY 203 Ca 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3a18 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a18 n GLY 204 N 0.00 0.22 3.66 -0.02 0.00 -1.26 -4.60 105.19 103.20 3a18 n GLY 204 Ca 0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 3a18 n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a18 s ARG 205 N 0.00 4.25 -0.04 1.61 0.52 -1.26 -1.17 118.95 122.86 3a18 s ARG 205 Ca 0.00 0.95 0.05 0.00 -0.52 0.00 0.00 55.73 56.21 3a18 s ARG 205 Cb 0.00 -3.60 -0.00 0.00 0.52 0.00 0.00 34.95 31.87 3a18 s ARG 205 CO 0.00 -0.37 -0.18 0.08 0.02 0.00 0.00 175.30 174.85 3a18 s VAL 206 N 2.32 1.50 -0.10 3.52 1.01 0.41 -4.23 120.40 124.83 3a18 s VAL 206 Ca 0.36 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3a18 s VAL 206 Cb -0.16 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3a18 s VAL 206 CO 0.11 0.43 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 3a18 s VAL 207 N -0.01 1.72 -0.07 2.92 1.01 -0.37 -1.00 120.40 124.59 3a18 s VAL 207 Ca -0.03 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.19 3a18 s VAL 207 Cb -0.11 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 3a18 s VAL 207 CO 0.02 0.48 -0.21 -0.69 0.00 0.00 0.00 175.10 174.71 3a18 s VAL 208 N 0.68 1.77 -0.05 2.92 1.01 0.41 -0.35 120.40 126.78 3a18 s VAL 208 Ca -0.12 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 3a18 s VAL 208 Cb -0.16 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3a18 s VAL 208 CO 0.03 0.50 0.11 -0.13 0.00 0.00 0.00 175.10 175.60 3a18 s ARG 209 N 0.25 3.25 0.88 2.72 0.52 0.22 -1.58 118.95 125.21 3a18 s ARG 209 Ca -0.12 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 54.65 3a18 s ARG 209 Cb -0.16 -3.00 0.17 0.00 0.52 0.00 0.00 34.95 32.48 3a18 s ARG 209 CO 0.06 0.70 1.22 0.20 0.02 0.00 0.00 175.30 177.50 3a18 s GLY 210 N -1.42 1.77 0.49 -3.53 0.00 -1.26 -1.66 107.32 101.71 3a18 s GLY 210 Ca 0.20 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.63 3a18 s GLY 210 CO 0.10 -0.63 0.08 -2.38 0.00 0.00 0.00 173.10 170.27 3a18 s HIS 211 N -3.65 1.98 0.14 1.90 -3.43 -1.26 -4.81 115.29 106.16 3a18 s HIS 211 Ca 0.71 -0.87 -0.31 0.00 -0.80 0.00 0.00 55.06 53.79 3a18 s HIS 211 Cb -0.05 -1.71 -0.11 0.00 -1.43 0.00 0.00 32.58 29.28 3a18 s HIS 211 CO 0.50 0.14 1.82 -3.47 -2.00 0.00 0.00 174.74 171.73 3a18 n ASP 212 N -1.30 4.01 -2.20 7.38 2.03 -0.83 -3.15 116.55 122.49 3a18 n ASP 212 Ca -0.13 1.00 -0.16 0.00 0.52 0.00 0.00 54.79 56.02 3a18 n ASP 212 Cb 0.66 -1.55 0.02 0.00 -0.72 0.00 0.00 41.12 39.54 3a18 n ASP 212 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3a18 n ASN 213 N 5.34 -4.84 -4.73 1.67 3.02 0.13 -2.89 115.26 112.95 3a18 n ASN 213 Ca 0.18 -0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 54.12 3a18 n ASN 213 Cb 0.37 -3.71 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 3a18 n ASN 213 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3a18 n ILE 214 N -4.15 2.29 -4.59 2.41 5.41 -1.19 -4.05 119.36 115.49 3a18 n ILE 214 Ca -0.09 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.84 3a18 n ILE 214 Cb 0.59 -1.73 -0.11 0.00 -0.71 0.00 0.00 39.64 37.68 3a18 n ILE 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3a18 s ALA 215 N -1.15 2.93 -0.15 -1.39 0.00 -0.65 -2.40 121.76 118.96 3a18 s ALA 215 Ca 0.57 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.56 3a18 s ALA 215 Cb -0.50 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.51 3a18 s ALA 215 CO 0.61 0.59 -0.16 -1.17 0.00 0.00 0.00 175.76 175.62 3a18 s LEU 216 N -1.11 1.82 -0.14 0.00 2.96 0.28 -0.17 118.68 122.31 3a18 s LEU 216 Ca 0.14 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3a18 s LEU 216 Cb -0.11 -1.24 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 3a18 s LEU 216 CO 0.04 -0.02 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.51 3a18 s ILE 217 N 1.28 3.90 -0.34 6.68 2.07 0.49 -1.00 121.20 134.27 3a18 s ILE 217 Ca 0.01 -0.36 -0.04 0.00 -1.41 0.00 0.00 60.65 58.85 3a18 s ILE 217 Cb -0.14 -2.69 0.06 0.00 0.13 0.00 0.00 42.46 39.82 3a18 s ILE 217 CO -0.08 0.51 0.09 -0.13 -1.91 0.00 0.00 174.94 173.42 3a18 s ARG 218 N 0.18 2.45 -0.21 3.50 3.00 -0.14 -0.81 118.95 126.91 3a18 s ARG 218 Ca -0.02 -1.33 0.01 0.00 0.00 0.00 0.00 55.73 54.39 3a18 s ARG 218 Cb -0.14 -3.39 0.03 0.00 0.00 0.00 0.00 34.95 31.45 3a18 s ARG 218 CO 0.03 -0.73 -0.15 0.45 0.00 0.00 0.00 175.30 174.89 3a18 s SER 219 N 1.47 3.69 0.27 0.23 0.15 -0.93 -0.88 113.70 117.70 3a18 s SER 219 Ca -0.01 -0.91 0.11 0.00 0.70 0.00 0.00 55.95 55.85 3a18 s SER 219 Cb -0.20 -1.53 -0.05 0.00 -1.71 0.00 0.00 66.02 62.53 3a18 s SER 219 CO 0.00 -0.07 -0.19 -0.83 1.20 0.00 0.00 173.24 173.34 3a18 s GLY 220 N 1.24 1.83 -0.04 9.45 0.00 0.06 -0.64 107.32 119.21 3a18 s GLY 220 Ca 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 44.72 42.89 3a18 s GLY 220 CO -0.09 -1.93 -0.06 1.20 0.00 0.00 0.00 173.10 172.21 3a18 s GLN 221 N -3.50 0.95 -0.16 2.90 1.11 0.73 -2.60 119.66 119.09 3a18 s GLN 221 Ca 0.29 -0.19 -0.02 0.00 0.01 0.00 0.00 55.36 55.45 3a18 s GLN 221 Cb -0.05 -0.90 0.05 0.00 -1.01 0.00 0.00 33.01 31.10 3a18 s GLN 221 CO 0.14 -0.02 0.02 0.34 0.01 0.00 0.00 175.29 175.78 3a18 s ASP 222 N 0.69 2.55 -0.08 5.90 -1.08 0.37 -0.43 116.67 124.59 3a18 s ASP 222 Ca -0.10 -0.61 0.12 0.00 -0.52 0.00 0.00 52.55 51.43 3a18 s ASP 222 Cb -0.13 -0.57 0.18 0.00 -1.46 0.00 0.00 42.92 40.93 3a18 s ASP 222 CO 0.01 -0.27 1.09 -2.67 0.52 0.00 0.00 175.17 173.85 3a18 n TRP 223 N 5.07 0.00 0.01 -5.34 2.14 -0.57 -0.71 117.44 118.03 3a18 n TRP 223 Ca -0.09 -0.80 0.02 0.00 2.07 0.00 0.00 57.50 58.71 3a18 n TRP 223 Cb 0.48 -0.11 0.37 0.00 -0.81 0.00 0.00 31.31 31.24 3a18 n TRP 223 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3a18 h ALA 224 N 0.00 1.56 -0.18 -1.67 0.00 -1.84 -2.89 119.26 114.24 3a18 h ALA 224 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a18 h ALA 224 Cb 0.81 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3a18 h ALA 224 CO 0.00 0.34 0.00 -0.25 0.00 0.00 0.00 179.25 179.34 3a18 n ASP 225 N -4.38 2.69 -4.76 0.00 8.00 -1.26 -4.97 116.55 111.86 3a18 n ASP 225 Ca 0.02 -1.78 -0.40 0.00 0.71 0.00 0.00 54.79 53.33 3a18 n ASP 225 Cb 0.15 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.10 3a18 n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a18 s ALA 226 N -1.25 3.41 0.73 2.24 0.00 -1.09 -4.89 121.76 120.90 3a18 s ALA 226 Ca 0.24 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 3a18 s ALA 226 Cb 0.15 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.97 3a18 s ALA 226 CO 0.21 -0.21 1.11 -1.21 0.00 0.00 0.00 175.76 175.66 3a18 s GLU 227 N -1.51 2.53 0.26 0.00 0.41 -1.26 -4.66 118.70 114.46 3a18 s GLU 227 Ca 0.45 0.27 -0.07 0.00 -0.41 0.00 0.00 54.97 55.22 3a18 s GLU 227 Cb -0.33 -2.02 0.45 0.00 -1.78 0.00 0.00 34.13 30.45 3a18 s GLU 227 CO 0.42 -1.21 1.43 0.00 -0.49 0.00 0.00 175.26 175.41 3a18 n ALA 228 N -3.08 0.24 -0.09 5.21 0.00 -1.26 -0.92 120.51 120.62 3a18 n ALA 228 Ca 0.07 1.01 -0.11 0.00 0.00 0.00 0.00 53.44 54.41 3a18 n ALA 228 Cb 0.59 -0.62 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 3a18 n ALA 228 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3a18 h ASP 229 N 0.00 0.49 0.23 0.00 2.03 -1.99 -1.43 116.42 115.75 3a18 h ASP 229 Ca 0.45 -0.34 -0.13 0.00 -0.73 0.00 0.00 57.03 56.27 3a18 h ASP 229 Cb 0.71 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.07 3a18 h ASP 229 CO -0.94 0.72 -0.51 -0.08 -1.03 0.00 0.00 179.24 177.40 3a18 h GLU 230 N 0.25 0.31 -0.44 4.15 4.81 -1.62 -1.77 114.58 120.27 3a18 h GLU 230 Ca 0.07 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3a18 h GLU 230 Cb 0.49 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3a18 h GLU 230 CO 0.02 0.75 0.29 0.00 -0.73 0.00 0.00 179.01 179.34 3a18 h ARG 231 N 0.25 0.59 -0.70 1.92 3.08 -0.95 -2.14 114.38 116.43 3a18 h ARG 231 Ca 0.01 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.05 3a18 h ARG 231 Cb 0.99 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 3a18 h ARG 231 CO 0.08 0.40 0.45 0.77 -1.07 0.00 0.00 179.97 180.60 3a18 h SER 232 N 0.60 0.74 -0.39 7.04 0.02 -0.97 0.09 113.55 120.68 3a18 h SER 232 Ca 0.16 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3a18 h SER 232 Cb -0.05 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.27 3a18 h SER 232 CO -0.03 0.52 0.11 -0.07 -1.14 0.00 0.00 176.83 176.21 3a18 h LEU 233 N 0.88 0.08 -0.07 5.07 3.38 -1.03 0.20 115.31 123.81 3a18 h LEU 233 Ca 0.28 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 3a18 h LEU 233 Cb -0.00 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3a18 h LEU 233 CO -0.10 0.08 -0.10 0.22 0.09 0.00 0.00 178.44 178.63 3a18 h TYR 234 N 0.25 0.24 -0.13 1.13 3.20 -1.13 -2.00 116.97 118.53 3a18 h TYR 234 Ca 0.18 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.83 3a18 h TYR 234 Cb 0.19 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3a18 h TYR 234 CO -0.17 0.67 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.41 3a18 h LEU 235 N -0.26 0.41 0.04 2.82 3.38 -0.87 0.48 115.31 121.31 3a18 h LEU 235 Ca 0.01 -0.22 -0.33 0.00 0.09 0.00 0.00 57.88 57.43 3a18 h LEU 235 Cb 0.64 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3a18 h LEU 235 CO 0.02 0.87 -1.94 0.47 0.09 0.00 0.00 178.44 177.96 3a18 n ASP 236 N -3.94 1.22 -0.07 -0.43 8.00 0.70 -4.33 116.55 117.70 3a18 n ASP 236 Ca -0.02 0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.64 3a18 n ASP 236 Cb 0.58 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.42 3a18 n ASP 236 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a18 n GLU 237 N -3.16 0.35 -0.09 -1.24 -0.58 -0.77 -4.67 120.64 110.48 3a18 n GLU 237 Ca -0.26 0.08 -0.22 0.00 -0.42 0.00 0.00 57.16 56.35 3a18 n GLU 237 Cb 1.06 -1.26 -0.12 0.00 -0.57 0.00 0.00 31.44 30.55 3a18 n GLU 237 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3a18 h ILE 238 N -0.03 0.89 -0.61 -3.67 2.04 -1.25 -3.40 117.51 111.47 3a18 h ILE 238 Ca -0.31 -2.19 0.02 0.00 1.00 0.00 0.00 64.86 63.37 3a18 h ILE 238 Cb 1.47 2.24 -0.04 0.00 -0.74 0.00 0.00 36.82 39.76 3a18 h ILE 238 CO -0.06 0.36 0.38 0.25 0.00 0.00 0.00 178.15 179.09 3a18 h LEU 239 N -0.90 0.63 -1.14 1.44 5.85 -0.26 -1.61 115.31 119.32 3a18 h LEU 239 Ca -0.36 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3a18 h LEU 239 Cb 1.37 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 3a18 h LEU 239 CO -0.18 0.45 0.59 -0.65 -0.34 0.00 0.00 178.44 178.30 3a18 h PRO 240 N 0.76 1.03 -0.08 5.25 0.11 -1.80 0.20 132.00 137.47 3a18 h PRO 240 Ca 0.24 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.12 3a18 h PRO 240 Cb -0.01 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 3a18 h PRO 240 CO -0.09 0.68 -0.65 1.79 -0.21 0.00 0.00 178.00 179.52 3a18 h THR 241 N 1.06 1.38 -0.38 -1.15 1.35 -1.67 -2.05 112.91 111.46 3a18 h THR 241 Ca 0.38 -2.04 -0.05 0.00 -0.55 0.00 0.00 66.41 64.15 3a18 h THR 241 Cb 0.13 2.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 3a18 h THR 241 CO -0.13 0.61 0.06 0.25 -0.25 0.00 0.00 175.52 176.06 3a18 h LEU 242 N 0.24 0.61 -0.66 3.87 5.85 -0.61 -2.10 115.31 122.51 3a18 h LEU 242 Ca -0.01 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3a18 h LEU 242 Cb 1.19 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3a18 h LEU 242 CO 0.11 0.72 0.42 -0.61 -0.34 0.00 0.00 178.44 178.74 3a18 h GLN 243 N 0.47 0.82 -0.26 1.25 5.75 -0.57 -0.81 115.11 121.76 3a18 h GLN 243 Ca 0.11 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 3a18 h GLN 243 Cb 0.37 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 3a18 h GLN 243 CO 0.01 0.54 0.10 1.03 -2.65 0.00 0.00 178.83 177.86 3a18 h SER 244 N 0.85 0.12 -0.86 -0.69 0.87 -1.23 0.10 113.55 112.71 3a18 h SER 244 Ca 0.25 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3a18 h SER 244 Cb -0.05 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 3a18 h SER 244 CO -0.08 0.10 0.49 1.23 -0.53 0.00 0.00 176.83 178.05 3a18 h GLY 245 N 0.22 1.26 0.93 5.77 0.00 -1.05 -1.52 103.07 108.68 3a18 h GLY 245 Ca 0.11 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 3a18 h GLY 245 CO -0.11 0.53 -0.20 -0.33 0.00 0.00 0.00 176.54 176.43 3a18 h MET 246 N 1.18 0.65 -0.44 4.80 2.07 -0.72 -2.06 114.93 120.42 3a18 h MET 246 Ca 0.30 -0.31 0.06 0.00 -2.07 0.00 0.00 59.70 57.68 3a18 h MET 246 Cb -0.01 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 29.66 3a18 h MET 246 CO -0.05 0.91 0.14 -0.44 1.07 0.00 0.00 176.91 178.54 3a18 h ASP 247 N 0.40 0.14 -0.19 1.22 5.19 -0.92 0.27 116.42 122.52 3a18 h ASP 247 Ca 0.06 0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.57 3a18 h ASP 247 Cb 0.74 0.05 -0.06 0.00 0.18 0.00 0.00 39.33 40.25 3a18 h ASP 247 CO 0.05 0.11 -0.16 0.15 -3.12 0.00 0.00 179.24 176.27 3a18 h PHE 248 N 0.30 -0.41 -0.17 4.55 3.57 -1.09 -0.77 116.94 122.92 3a18 h PHE 248 Ca 0.21 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 3a18 h PHE 248 Cb 0.21 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3a18 h PHE 248 CO -0.16 -0.23 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.29 3a18 h LEU 249 N -0.17 0.35 -0.96 0.59 3.38 -1.10 0.34 115.31 117.75 3a18 h LEU 249 Ca 0.12 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3a18 h LEU 249 Cb 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3a18 h LEU 249 CO -0.30 0.67 -0.09 -0.09 0.09 0.00 0.00 178.44 178.72 3a18 h ARG 250 N 0.30 0.66 -0.00 1.13 2.43 -0.62 -2.94 114.38 115.33 3a18 h ARG 250 Ca 0.04 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3a18 h ARG 250 Cb 0.72 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3a18 h ARG 250 CO 0.06 0.74 -0.51 -0.25 -1.51 0.00 0.00 179.97 178.49 3a18 n ASP 251 N -4.19 0.80 -1.53 -3.80 8.00 -0.32 -4.54 116.55 110.97 3a18 n ASP 251 Ca 0.01 -0.90 -0.01 0.00 0.71 0.00 0.00 54.79 54.60 3a18 n ASP 251 Cb 0.33 0.87 0.09 0.00 -0.02 0.00 0.00 41.12 42.39 3a18 n ASP 251 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a18 n ASN 252 N -1.02 2.01 0.23 -2.24 3.02 0.12 -4.95 115.26 112.44 3a18 n ASN 252 Ca 0.03 -2.93 -0.15 0.00 -0.03 0.00 0.00 54.58 51.50 3a18 n ASN 252 Cb 0.22 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 3a18 n ASN 252 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3a18 h GLY 253 N 1.49 -1.18 -0.15 7.41 0.00 -1.70 -3.05 103.07 105.89 3a18 h GLY 253 Ca -0.04 0.55 0.26 0.00 0.00 0.00 0.00 47.33 48.11 3a18 h GLY 253 CO 0.20 -0.35 0.64 -2.55 0.00 0.00 0.00 176.54 174.47 3a18 h PRO 254 N -0.83 0.47 -0.07 4.80 0.11 -1.90 0.17 132.00 134.75 3a18 h PRO 254 Ca -0.05 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 3a18 h PRO 254 Cb 0.73 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3a18 h PRO 254 CO -0.07 0.31 -0.24 0.00 -0.21 0.00 0.00 178.00 177.79 3a18 h ALA 255 N 1.67 1.47 -0.00 -0.75 0.00 -1.91 -3.18 119.26 116.56 3a18 h ALA 255 Ca 0.62 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3a18 h ALA 255 Cb 1.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3a18 h ALA 255 CO -0.38 0.38 -0.43 1.33 0.00 0.00 0.00 179.25 180.15 3a18 n VAL 256 N -4.21 0.00 -0.49 0.00 0.24 -0.40 -5.00 118.33 108.47 3a18 n VAL 256 Ca -0.01 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3a18 n VAL 256 Cb 0.33 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 3a18 n VAL 256 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a18 n GLY 257 N 1.17 0.89 3.40 7.63 0.00 -0.09 -4.76 105.19 113.43 3a18 n GLY 257 Ca 0.03 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 3a18 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a18 h TYR 259 N 8.77 0.71 -3.13 0.00 0.05 -1.12 -3.35 116.97 118.90 3a18 h TYR 259 Ca -0.28 -0.01 -0.21 0.00 0.05 0.00 0.00 58.73 58.28 3a18 h TYR 259 Cb 1.11 -0.23 -0.30 0.00 1.01 0.00 0.00 36.73 38.32 3a18 h TYR 259 CO 0.64 0.52 -0.52 0.45 -1.05 0.00 0.00 178.16 178.20 3a18 s SER 260 N -5.81 -0.21 -0.11 3.88 0.15 -1.01 -4.75 113.70 105.85 3a18 s SER 260 Ca -0.13 0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.96 3a18 s SER 260 Cb 0.12 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.79 3a18 s SER 260 CO 0.76 -0.15 -0.10 0.21 1.20 0.00 0.00 173.24 175.16 3a18 s ASN 261 N 1.09 2.15 -0.06 5.45 2.47 -1.26 -1.10 114.94 123.68 3a18 s ASN 261 Ca -0.08 -0.33 0.04 0.00 0.42 0.00 0.00 52.86 52.91 3a18 s ASN 261 Cb -0.10 -0.89 -0.00 0.00 -1.45 0.00 0.00 41.25 38.81 3a18 s ASN 261 CO -0.07 -0.07 -0.19 -0.13 -3.72 0.00 0.00 177.10 172.93 3a18 s ARG 262 N 1.41 2.08 -0.32 0.43 0.52 -0.33 -4.66 118.95 118.08 3a18 s ARG 262 Ca -0.00 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 3a18 s ARG 262 Cb -0.13 -1.74 0.07 0.00 0.52 0.00 0.00 34.95 33.67 3a18 s ARG 262 CO -0.06 0.23 0.02 0.12 0.02 0.00 0.00 175.30 175.63 3a18 s PHE 263 N 0.13 3.42 0.17 -0.53 5.36 -1.26 -0.63 117.98 124.65 3a18 s PHE 263 Ca -0.07 -2.31 0.09 0.00 -0.96 0.00 0.00 56.93 53.68 3a18 s PHE 263 Cb -0.13 -2.41 -0.04 0.00 -0.34 0.00 0.00 43.02 40.09 3a18 s PHE 263 CO 0.04 -0.88 -0.10 0.14 -1.46 0.00 0.00 175.22 172.96 3a18 s VAL 264 N 1.13 3.19 -0.09 3.12 -7.23 0.57 -4.77 120.40 116.32 3a18 s VAL 264 Ca -0.01 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 3a18 s VAL 264 Cb -0.20 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 3a18 s VAL 264 CO -0.04 -0.07 -0.21 -0.60 -0.31 0.00 0.00 175.10 173.87 3a18 s ARG 265 N -2.72 2.94 0.58 4.82 6.06 -0.17 -1.15 118.95 129.30 3a18 s ARG 265 Ca 0.24 -0.83 -0.20 0.00 -2.50 0.00 0.00 55.73 52.44 3a18 s ARG 265 Cb -0.09 -2.34 -0.04 0.00 0.06 0.00 0.00 34.95 32.54 3a18 s ARG 265 CO 0.15 0.28 1.32 -0.80 -2.50 0.00 0.00 175.30 173.75 3a18 s ASN 266 N 0.11 5.10 0.10 -2.12 -0.87 -0.37 -0.14 114.94 116.76 3a18 s ASN 266 Ca -0.10 2.67 0.01 0.00 -1.57 0.00 0.00 52.86 53.87 3a18 s ASN 266 Cb -0.16 -2.63 -0.04 0.00 -0.02 0.00 0.00 41.25 38.40 3a18 s ASN 266 CO 0.06 -1.67 -0.04 0.27 -2.57 0.00 0.00 177.10 173.14 3a18 s ILE 267 N -1.36 0.59 0.75 0.60 -4.36 -0.08 -1.20 121.20 116.14 3a18 s ILE 267 Ca 0.75 -1.92 -0.09 0.00 -0.26 0.00 0.00 60.65 59.13 3a18 s ILE 267 Cb -0.38 -1.74 0.17 0.00 1.25 0.00 0.00 42.46 41.76 3a18 s ILE 267 CO 0.44 -0.82 1.03 -0.90 0.24 0.00 0.00 174.94 174.92 3a18 n ASP 268 N -0.05 0.46 0.10 4.36 5.68 -0.38 -4.42 116.55 122.31 3a18 n ASP 268 Ca -0.11 -1.61 0.09 0.00 -0.50 0.00 0.00 54.79 52.66 3a18 n ASP 268 Cb 0.61 -0.75 0.42 0.00 -1.14 0.00 0.00 41.12 40.26 3a18 n ASP 268 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a18 n ILE 269 N -3.23 1.18 0.88 2.12 0.13 -1.26 -1.92 119.36 117.26 3a18 n ILE 269 Ca 0.14 0.51 0.09 0.00 -1.10 0.00 0.00 62.75 62.39 3a18 n ILE 269 Cb 0.49 -1.47 -0.07 0.00 -0.84 0.00 0.00 39.64 37.76 3a18 n ILE 269 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 3a18 n ASP 270 N -2.02 1.23 0.00 9.51 8.00 -1.26 -4.84 116.55 127.17 3a18 n ASP 270 Ca 0.00 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.39 3a18 n ASP 270 Cb 0.09 0.81 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 3a18 n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a18 n GLY 271 N 1.39 0.43 3.75 0.44 0.00 -0.81 -5.07 105.19 105.32 3a18 n GLY 271 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3a18 n GLY 271 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a18 s ASN 272 N -2.57 7.15 0.37 1.61 0.01 -1.26 -4.77 114.94 115.48 3a18 s ASN 272 Ca 0.00 2.29 -0.27 0.00 -0.71 0.00 0.00 52.86 54.18 3a18 s ASN 272 Cb 0.00 -2.62 -0.09 0.00 0.41 0.00 0.00 41.25 38.95 3a18 s ASN 272 CO 0.00 -0.27 1.19 -0.36 -1.51 0.00 0.00 177.10 176.15 3a18 s PHE 273 N -0.72 3.14 0.27 2.20 0.08 -1.26 -1.25 117.98 120.44 3a18 s PHE 273 Ca 0.48 1.55 0.10 0.00 0.12 0.00 0.00 56.93 59.18 3a18 s PHE 273 Cb -0.33 -3.44 -0.04 0.00 -0.57 0.00 0.00 43.02 38.64 3a18 s PHE 273 CO 0.40 -1.32 -0.04 -0.51 -0.10 0.00 0.00 175.22 173.66 3a18 s LEU 274 N -2.20 3.10 -0.65 -0.37 1.43 -0.34 -4.87 118.68 114.78 3a18 s LEU 274 Ca 0.54 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.87 3a18 s LEU 274 Cb -0.33 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 3a18 s LEU 274 CO 0.42 0.01 2.91 0.47 0.23 0.00 0.00 176.35 180.39 3a18 n ASP 275 N -0.85 6.76 -3.92 2.29 8.00 -1.26 -4.43 116.55 123.14 3a18 n ASP 275 Ca -0.06 -2.96 -0.11 0.00 0.71 0.00 0.00 54.79 52.37 3a18 n ASP 275 Cb 0.59 -1.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.23 3a18 n ASP 275 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a18 s LEU 276 N -1.43 2.10 0.09 0.64 1.02 -1.26 -1.52 118.68 118.32 3a18 s LEU 276 Ca 0.61 -0.21 -0.05 0.00 0.02 0.00 0.00 54.13 54.49 3a18 s LEU 276 Cb 0.31 0.05 -0.02 0.00 0.02 0.00 0.00 46.19 46.55 3a18 s LEU 276 CO -0.13 -0.13 0.12 -0.94 0.02 0.00 0.00 176.35 175.29 3a18 s SER 277 N -0.62 0.25 0.12 2.29 1.04 0.42 -1.24 113.70 115.97 3a18 s SER 277 Ca -0.07 -0.84 -0.18 0.00 0.48 0.00 0.00 55.95 55.33 3a18 s SER 277 Cb -0.04 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.42 3a18 s SER 277 CO -0.00 -0.71 0.46 -0.72 0.98 0.00 0.00 173.24 173.25 3a18 s TYR 278 N -3.91 -0.31 0.06 5.02 1.13 -0.30 -0.19 117.35 118.84 3a18 s TYR 278 Ca 0.09 0.07 -0.26 0.00 -1.41 0.00 0.00 57.07 55.56 3a18 s TYR 278 Cb 0.06 0.34 -0.05 0.00 -1.10 0.00 0.00 41.96 41.21 3a18 s TYR 278 CO -0.08 -0.73 0.81 1.21 -2.51 0.00 0.00 175.55 174.25 3a18 s ASN 279 N -2.69 7.27 -0.30 -0.18 3.04 0.19 -0.32 114.94 121.96 3a18 s ASN 279 Ca 0.01 1.52 -0.02 0.00 0.04 0.00 0.00 52.86 54.41 3a18 s ASN 279 Cb 0.01 -2.49 0.05 0.00 -1.54 0.00 0.00 41.25 37.27 3a18 s ASN 279 CO -0.11 -0.01 0.00 -0.63 -3.04 0.00 0.00 177.10 173.32 3a18 s ILE 280 N -0.03 3.02 -0.11 -5.21 1.01 0.20 -2.18 121.20 117.91 3a18 s ILE 280 Ca 0.40 -1.36 0.01 0.00 0.00 0.00 0.00 60.65 59.71 3a18 s ILE 280 Cb -0.21 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.55 3a18 s ILE 280 CO 0.24 -0.10 -0.14 -0.83 0.00 0.00 0.00 174.94 174.11 3a18 s GLY 281 N 1.26 0.99 -0.19 6.18 0.00 0.01 -1.19 107.32 114.38 3a18 s GLY 281 Ca -0.05 -0.68 -0.07 0.00 0.00 0.00 0.00 44.72 43.91 3a18 s GLY 281 CO -0.01 0.29 0.06 0.30 0.00 0.00 0.00 173.10 173.74 3a18 s HIS 282 N 1.04 3.23 0.10 1.90 3.76 -0.26 -0.38 115.29 124.68 3a18 s HIS 282 Ca -0.06 0.02 0.09 0.00 -0.15 0.00 0.00 55.06 54.95 3a18 s HIS 282 Cb -0.15 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 3a18 s HIS 282 CO -0.02 0.09 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.16 3a18 s TRP 283 N 0.52 1.92 0.37 1.40 0.52 0.76 -0.57 118.94 123.85 3a18 s TRP 283 Ca 0.03 -0.41 0.25 0.00 0.02 0.00 0.00 56.10 55.99 3a18 s TRP 283 Cb -0.13 -1.06 1.27 0.00 -1.15 0.00 0.00 33.47 32.40 3a18 s TRP 283 CO 0.01 0.22 2.00 0.00 0.02 0.00 0.00 176.95 179.20 3a18 h ALA 284 N 4.13 1.27 -2.75 0.98 0.00 -1.10 -1.73 119.26 120.05 3a18 h ALA 284 Ca -0.47 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 3a18 h ALA 284 Cb 1.17 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 3a18 h ALA 284 CO 0.40 0.21 0.15 -1.54 0.00 0.00 0.00 179.25 178.47 3a18 s SER 285 N -6.28 -0.53 0.23 0.00 1.04 -1.26 -4.55 113.70 102.35 3a18 s SER 285 Ca -0.02 0.09 -0.07 0.00 0.48 0.00 0.00 55.95 56.44 3a18 s SER 285 Cb 0.13 0.56 0.22 0.00 0.10 0.00 0.00 66.02 67.03 3a18 s SER 285 CO 0.61 -0.87 1.86 0.25 0.98 0.00 0.00 173.24 176.07 3a18 h LEU 286 N 2.30 1.12 -1.13 2.42 5.85 -1.82 -2.95 115.31 121.11 3a18 h LEU 286 Ca -0.33 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.21 3a18 h LEU 286 Cb 1.26 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3a18 h LEU 286 CO 0.40 0.90 -0.31 -2.24 -0.34 0.00 0.00 178.44 176.86 3a18 h ASP 287 N 1.26 0.22 -0.56 1.25 2.03 -1.94 0.04 116.42 118.71 3a18 h ASP 287 Ca 0.31 -0.07 -0.05 0.00 -0.73 0.00 0.00 57.03 56.49 3a18 h ASP 287 Cb 0.03 -0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 38.45 3a18 h ASP 287 CO -0.05 0.52 0.14 1.56 -1.03 0.00 0.00 179.24 180.39 3a18 h GLN 288 N 0.19 0.90 -0.55 4.15 4.20 -1.86 -0.08 115.11 122.06 3a18 h GLN 288 Ca 0.03 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.55 3a18 h GLN 288 Cb 0.64 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 3a18 h GLN 288 CO 0.05 0.83 0.33 1.25 -0.67 0.00 0.00 178.83 180.62 3a18 h LEU 289 N 0.80 0.53 -0.34 1.46 5.85 -1.27 -1.99 115.31 120.36 3a18 h LEU 289 Ca 0.18 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3a18 h LEU 289 Cb 0.34 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3a18 h LEU 289 CO 0.00 0.38 0.03 -0.33 -0.34 0.00 0.00 178.44 178.17 3a18 h GLU 290 N 0.65 0.13 -0.01 1.25 5.08 -0.59 -1.78 114.58 119.30 3a18 h GLU 290 Ca 0.22 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3a18 h GLU 290 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3a18 h GLU 290 CO -0.10 0.08 -0.05 0.00 -1.00 0.00 0.00 179.01 177.95 3a18 h ARG 291 N 0.13 -0.07 -0.15 2.33 2.47 -0.77 -1.83 114.38 116.48 3a18 h ARG 291 Ca 0.16 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.92 3a18 h ARG 291 Cb 0.21 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 3a18 h ARG 291 CO -0.25 -0.05 -0.04 2.35 0.56 0.00 0.00 179.97 182.54 3a18 h TRP 292 N -0.08 -0.08 -0.80 3.04 7.01 -1.24 -2.50 115.95 121.30 3a18 h TRP 292 Ca 0.02 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 3a18 h TRP 292 Cb 0.11 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 3a18 h TRP 292 CO -0.13 -0.07 0.42 0.66 -2.79 0.00 0.00 178.44 176.54 3a18 h SER 293 N -0.00 1.01 0.17 2.65 4.64 -1.11 0.12 113.55 121.03 3a18 h SER 293 Ca 0.07 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3a18 h SER 293 Cb 0.11 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3a18 h SER 293 CO -0.16 0.82 -0.19 -1.84 -0.87 0.00 0.00 176.83 174.60 3a18 n GLU 294 N -4.34 1.07 0.00 4.77 0.28 -0.71 -4.34 120.64 117.38 3a18 n GLU 294 Ca 0.08 -0.63 0.00 0.00 -0.16 0.00 0.00 57.16 56.45 3a18 n GLU 294 Cb 0.11 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.49 3a18 n GLU 294 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3a18 n SER 295 N -0.42 1.83 -4.72 -1.84 3.41 -0.95 -4.99 113.62 105.94 3a18 n SER 295 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 3a18 n SER 295 Cb 0.35 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3a18 n SER 295 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3a18 s HIS 296 N -1.27 3.31 0.26 7.33 2.46 0.01 -4.91 115.29 122.49 3a18 s HIS 296 Ca 0.00 1.12 -0.03 0.00 0.47 0.00 0.00 55.06 56.62 3a18 s HIS 296 Cb 0.00 -3.58 0.56 0.00 -0.13 0.00 0.00 32.58 29.43 3a18 s HIS 296 CO 0.00 -1.92 1.64 -1.35 -2.47 0.00 0.00 174.74 170.64 3a18 h PRO 297 N 6.46 0.14 0.04 2.88 0.11 -1.96 -0.42 132.00 139.24 3a18 h PRO 297 Ca -0.43 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3a18 h PRO 297 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3a18 h PRO 297 CO 0.83 0.09 -0.02 1.79 -0.21 0.00 0.00 178.00 180.48 3a18 h THR 298 N 0.14 1.03 -0.45 -1.15 1.35 -1.91 0.33 112.91 112.26 3a18 h THR 298 Ca 0.47 -0.23 -0.12 0.00 -0.55 0.00 0.00 66.41 65.99 3a18 h THR 298 Cb 0.89 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 3a18 h THR 298 CO -0.67 0.06 -0.19 -0.74 -0.25 0.00 0.00 175.52 173.73 3a18 h HIS 299 N -0.15 0.99 -0.56 4.73 -0.00 -1.80 -2.73 115.15 115.61 3a18 h HIS 299 Ca -0.01 -0.22 0.01 0.00 -0.00 0.00 0.00 60.37 60.16 3a18 h HIS 299 Cb 0.14 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 3a18 h HIS 299 CO -0.04 0.98 0.37 -0.07 -0.00 0.00 0.00 177.93 179.17 3a18 h LEU 300 N 0.77 0.62 0.49 0.26 3.38 -0.82 -0.43 115.31 119.58 3a18 h LEU 300 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3a18 h LEU 300 Cb 0.72 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3a18 h LEU 300 CO 0.06 0.44 -0.30 0.03 0.09 0.00 0.00 178.44 178.76 3a18 h ARG 301 N 0.73 -0.72 -0.12 1.13 3.08 -0.07 -1.95 114.38 116.46 3a18 h ARG 301 Ca 0.21 0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.20 3a18 h ARG 301 Cb -0.04 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3a18 h ARG 301 CO -0.05 -0.48 -0.42 -0.84 -1.07 0.00 0.00 179.97 177.11 3a18 h ILE 302 N -0.75 1.31 -0.41 2.04 3.07 -1.28 -2.34 117.51 119.15 3a18 h ILE 302 Ca -0.06 -1.55 0.08 0.00 1.55 0.00 0.00 64.86 64.88 3a18 h ILE 302 Cb 0.61 1.69 -0.07 0.00 -0.27 0.00 0.00 36.82 38.78 3a18 h ILE 302 CO 0.06 0.47 -0.04 0.15 -1.05 0.00 0.00 178.15 177.74 3a18 h PHE 303 N 0.22 -0.09 -0.72 0.16 3.04 -1.09 -2.06 116.94 116.40 3a18 h PHE 303 Ca 0.02 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.10 3a18 h PHE 303 Cb 0.84 0.10 -0.12 0.00 2.56 0.00 0.00 35.95 39.34 3a18 h PHE 303 CO 0.02 -0.12 -0.46 1.15 -2.02 0.00 0.00 178.31 176.88 3a18 h THR 304 N 0.07 0.05 -0.10 4.41 2.02 -0.79 -2.95 112.91 115.63 3a18 h THR 304 Ca 0.20 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.18 3a18 h THR 304 Cb 0.30 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3a18 h THR 304 CO -0.37 0.00 -0.77 0.74 0.37 0.00 0.00 175.52 175.49 3a18 h THR 305 N -0.16 1.34 -0.53 3.16 2.02 -1.31 -2.78 112.91 114.65 3a18 h THR 305 Ca 0.20 -2.10 -0.00 0.00 0.77 0.00 0.00 66.41 65.27 3a18 h THR 305 Cb 0.55 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 3a18 h THR 305 CO -0.78 0.64 0.32 0.15 0.37 0.00 0.00 175.52 176.23 3a18 h PHE 306 N 0.37 0.70 -0.70 3.16 3.57 -1.30 0.11 116.94 122.84 3a18 h PHE 306 Ca -0.04 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.54 3a18 h PHE 306 Cb 1.37 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 3a18 h PHE 306 CO 0.06 0.48 0.46 0.74 -2.23 0.00 0.00 178.31 177.82 3a18 h PHE 307 N 0.72 0.65 0.00 0.41 -1.00 -1.34 0.13 116.94 116.51 3a18 h PHE 307 Ca 0.19 0.02 -0.17 0.00 2.81 0.00 0.00 57.97 60.82 3a18 h PHE 307 Cb -0.02 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.30 3a18 h PHE 307 CO -0.03 0.32 -0.89 0.07 -1.61 0.00 0.00 178.31 176.17 3a18 h ARG 308 N 0.62 0.00 -0.00 1.51 0.11 -1.07 -3.36 114.38 112.19 3a18 h ARG 308 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 3a18 h ARG 308 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3a18 h ARG 308 CO -0.11 0.71 -0.82 1.33 0.10 0.00 0.00 179.97 181.18 3a18 n VAL 309 N -3.24 0.00 -0.24 0.08 0.24 -0.05 -4.58 118.33 110.53 3a18 n VAL 309 Ca -0.01 -0.09 0.09 0.00 -2.04 0.00 0.00 64.34 62.29 3a18 n VAL 309 Cb 0.86 1.08 0.35 0.00 -1.47 0.00 0.00 33.84 34.66 3a18 n VAL 309 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a18 h ALA 310 N 3.24 1.74 -0.13 2.33 0.00 -0.91 -0.06 119.26 125.47 3a18 h ALA 310 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3a18 h ALA 310 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3a18 h ALA 310 CO 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 179.25 179.04 3a18 h ALA 311 N 1.59 1.26 -0.25 0.00 0.00 -1.85 -3.17 119.26 116.85 3a18 h ALA 311 Ca 0.39 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a18 h ALA 311 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3a18 h ALA 311 CO -0.16 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.00 3a18 n GLY 312 N -0.46 1.63 3.68 0.00 0.00 -0.77 -4.98 105.19 104.29 3a18 n GLY 312 Ca -0.01 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3a18 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a18 s LEU 313 N -1.01 4.32 -0.06 0.99 1.43 -0.11 -4.89 118.68 119.35 3a18 s LEU 313 Ca 0.22 2.22 -0.03 0.00 -1.03 0.00 0.00 54.13 55.51 3a18 s LEU 313 Cb 0.12 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 3a18 s LEU 313 CO 0.17 -0.80 -0.07 -1.54 0.23 0.00 0.00 176.35 174.33 3a18 n SER 314 N 5.77 0.51 -0.00 2.29 3.41 -1.26 -4.92 113.62 119.42 3a18 n SER 314 Ca 0.15 0.07 0.02 0.00 -0.26 0.00 0.00 58.87 58.84 3a18 n SER 314 Cb 0.43 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 3a18 n SER 314 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a18 n LYS 315 N -3.24 2.17 -2.08 4.33 4.01 -1.26 -4.98 118.16 117.12 3a18 n LYS 315 Ca -0.11 -0.02 -0.42 0.00 -0.51 0.00 0.00 58.31 57.25 3a18 n LYS 315 Cb 0.58 -0.93 -0.03 0.00 -0.51 0.00 0.00 35.03 34.14 3a18 n LYS 315 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3a18 s LEU 316 N -2.85 4.37 -0.27 -0.35 2.96 -1.26 -4.43 118.68 116.85 3a18 s LEU 316 Ca -0.00 2.46 -0.03 0.00 -0.22 0.00 0.00 54.13 56.34 3a18 s LEU 316 Cb 0.02 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.15 3a18 s LEU 316 CO 0.14 -0.71 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.31 3a18 s ARG 317 N 0.94 2.79 -0.04 1.98 0.52 0.11 -4.99 118.95 120.26 3a18 s ARG 317 Ca 0.66 -1.02 0.06 0.00 -0.52 0.00 0.00 55.73 54.90 3a18 s ARG 317 Cb -0.40 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 3a18 s ARG 317 CO 0.32 -0.46 -0.22 -0.51 0.02 0.00 0.00 175.30 174.44 3a18 s LEU 318 N 1.34 2.25 0.26 2.53 1.43 -1.26 -0.48 118.68 124.75 3a18 s LEU 318 Ca -0.01 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.48 3a18 s LEU 318 Cb -0.17 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.66 3a18 s LEU 318 CO -0.02 0.30 0.68 -0.72 0.23 0.00 0.00 176.35 176.83 3a18 s TYR 319 N -0.51 -0.22 0.16 0.29 1.13 -1.07 -1.17 117.35 115.96 3a18 s TYR 319 Ca 0.07 -0.20 -0.14 0.00 -1.41 0.00 0.00 57.07 55.39 3a18 s TYR 319 Cb -0.11 0.65 0.02 0.00 -1.10 0.00 0.00 41.96 41.42 3a18 s TYR 319 CO 0.01 -1.16 0.39 -3.38 -2.51 0.00 0.00 175.55 168.90 3a18 s HIS 320 N -3.90 0.04 -0.01 -3.49 -3.43 -0.27 -0.76 115.29 103.46 3a18 s HIS 320 Ca 0.10 -0.39 0.02 0.00 -0.80 0.00 0.00 55.06 54.00 3a18 s HIS 320 Cb -0.05 0.19 -0.00 0.00 -1.43 0.00 0.00 32.58 31.29 3a18 s HIS 320 CO 0.04 -0.77 -0.08 -1.83 -2.00 0.00 0.00 174.74 170.09 3a18 s GLU 321 N -3.88 0.69 -0.03 -0.38 -1.05 -0.06 -1.11 118.70 112.88 3a18 s GLU 321 Ca 0.10 -0.28 0.02 0.00 -0.15 0.00 0.00 54.97 54.66 3a18 s GLU 321 Cb 0.01 -0.66 0.01 0.00 -0.44 0.00 0.00 34.13 33.05 3a18 s GLU 321 CO -0.05 0.15 -0.08 0.08 0.95 0.00 0.00 175.26 176.32 3a18 s VAL 322 N -0.10 0.69 0.09 1.83 1.01 -0.55 -0.96 120.40 122.41 3a18 s VAL 322 Ca 0.02 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.79 3a18 s VAL 322 Cb -0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 3a18 s VAL 322 CO -0.00 0.23 -0.20 -0.44 0.00 0.00 0.00 175.10 174.69 3a18 s SER 323 N 0.40 2.38 0.16 3.32 0.01 -0.17 -1.00 113.70 118.80 3a18 s SER 323 Ca -0.06 -0.65 0.10 0.00 1.31 0.00 0.00 55.95 56.65 3a18 s SER 323 Cb -0.10 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 3a18 s SER 323 CO 0.01 0.05 -0.22 0.68 0.41 0.00 0.00 173.24 174.16 3a18 s VAL 324 N -1.13 2.08 0.01 3.43 -7.23 -0.11 -0.56 120.40 116.90 3a18 s VAL 324 Ca 0.05 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 3a18 s VAL 324 Cb -0.10 -1.94 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 3a18 s VAL 324 CO 0.04 -0.15 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.23 3a18 s PHE 325 N -1.66 0.72 0.57 2.82 0.08 -1.01 -4.64 117.98 114.87 3a18 s PHE 325 Ca 0.16 -0.24 -0.20 0.00 0.12 0.00 0.00 56.93 56.78 3a18 s PHE 325 Cb -0.08 -0.45 -0.05 0.00 -0.57 0.00 0.00 43.02 41.87 3a18 s PHE 325 CO 0.08 -0.02 1.05 -0.25 -0.10 0.00 0.00 175.22 175.98 3a18 n ASP 326 N 2.43 1.20 -0.27 1.36 9.92 -1.26 0.17 116.55 130.10 3a18 n ASP 326 Ca -0.16 0.86 0.08 0.00 -0.53 0.00 0.00 54.79 55.04 3a18 n ASP 326 Cb 0.56 -1.42 0.22 0.00 -0.64 0.00 0.00 41.12 39.84 3a18 n ASP 326 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3a18 h ALA 327 N 0.76 1.10 0.00 2.24 0.00 -1.88 -1.79 119.26 119.69 3a18 h ALA 327 Ca -0.48 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3a18 h ALA 327 Cb 1.35 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3a18 h ALA 327 CO 0.53 -0.34 -0.02 0.00 0.00 0.00 0.00 179.25 179.41 3a18 h ALA 328 N 1.65 1.00 -0.67 0.00 0.00 -1.91 -3.33 119.26 116.00 3a18 h ALA 328 Ca 0.46 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.95 3a18 h ALA 328 Cb 0.82 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.41 3a18 h ALA 328 CO -0.53 0.02 0.52 -0.25 0.00 0.00 0.00 179.25 179.01 3a18 n ASP 329 N -3.12 5.16 -3.79 0.00 8.00 -0.67 -4.86 116.55 117.27 3a18 n ASP 329 Ca 0.01 -3.21 -0.13 0.00 0.71 0.00 0.00 54.79 52.17 3a18 n ASP 329 Cb 0.33 -0.87 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 3a18 n ASP 329 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3a18 s GLN 330 N -2.40 0.50 -0.18 -1.24 -0.21 -1.25 -1.16 119.66 113.71 3a18 s GLN 330 Ca 0.41 -0.03 -0.08 0.00 0.02 0.00 0.00 55.36 55.68 3a18 s GLN 330 Cb 0.33 0.22 0.07 0.00 1.00 0.00 0.00 33.01 34.64 3a18 s GLN 330 CO 0.04 -0.11 0.42 -1.17 -2.12 0.00 0.00 175.29 172.34 3a18 s LEU 331 N -0.80 -0.34 -0.23 2.90 2.96 0.06 -4.54 118.68 118.69 3a18 s LEU 331 Ca -0.09 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 3a18 s LEU 331 Cb -0.05 1.38 0.05 0.00 0.50 0.00 0.00 46.19 48.07 3a18 s LEU 331 CO 0.02 -0.21 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.41 3a18 s TYR 332 N 1.90 2.95 -0.03 5.38 2.02 -0.61 -1.09 117.35 127.87 3a18 s TYR 332 Ca -0.06 -2.02 0.07 0.00 -0.37 0.00 0.00 57.07 54.69 3a18 s TYR 332 Cb -0.10 -1.85 -0.02 0.00 -0.40 0.00 0.00 41.96 39.60 3a18 s TYR 332 CO -0.13 -0.83 -0.25 -1.21 -1.57 0.00 0.00 175.55 171.56 3a18 s GLU 333 N 1.21 2.27 -0.02 -0.62 2.02 0.79 -0.44 118.70 123.92 3a18 s GLU 333 Ca -0.05 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.05 3a18 s GLU 333 Cb -0.18 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 31.96 3a18 s GLU 333 CO -0.07 0.51 -0.02 0.71 0.02 0.00 0.00 175.26 176.40 3a18 s TYR 334 N -0.48 0.37 -0.18 1.61 1.51 -0.17 -0.80 117.35 119.21 3a18 s TYR 334 Ca 0.06 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 3a18 s TYR 334 Cb -0.11 -0.34 0.04 0.00 -0.11 0.00 0.00 41.96 41.44 3a18 s TYR 334 CO 0.00 -0.07 -0.10 0.42 -1.11 0.00 0.00 175.55 174.69 3a18 s ILE 335 N 0.45 1.53 -1.49 2.71 1.01 0.10 -0.45 121.20 125.07 3a18 s ILE 335 Ca -0.05 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 3a18 s ILE 335 Cb -0.08 -1.59 0.08 0.00 0.01 0.00 0.00 42.46 40.88 3a18 s ILE 335 CO -0.01 0.23 0.83 0.59 0.00 0.00 0.00 174.94 176.58 3a18 n ASN 336 N 4.74 -4.73 -4.89 3.58 3.02 -0.32 -0.64 115.26 116.02 3a18 n ASN 336 Ca -0.15 -0.64 -0.31 0.00 -0.03 0.00 0.00 54.58 53.46 3a18 n ASN 336 Cb 0.47 -3.81 -0.05 0.00 -0.61 0.00 0.00 39.78 35.79 3a18 n ASN 336 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a18 s HIS 338 N -1.77 2.25 -1.98 0.00 -3.43 -1.26 -4.79 115.29 104.31 3a18 s HIS 338 Ca 0.44 1.43 0.11 0.00 -0.80 0.00 0.00 55.06 56.24 3a18 s HIS 338 Cb -0.12 -3.71 0.67 0.00 -1.43 0.00 0.00 32.58 27.99 3a18 s HIS 338 CO 0.24 -2.78 1.11 -2.30 -2.00 0.00 0.00 174.74 169.01 3a18 n PRO 339 N -1.35 0.34 -0.08 -0.38 -0.02 -1.26 -1.60 135.00 130.66 3a18 n PRO 339 Ca 0.12 0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.72 3a18 n PRO 339 Cb 0.47 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.58 3a18 n PRO 339 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a18 n GLY 340 N -0.30 1.16 3.69 -1.23 0.00 -1.26 -3.40 105.19 103.85 3a18 n GLY 340 Ca 0.08 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3a18 n GLY 340 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a18 s THR 341 N -1.63 3.92 0.00 2.61 2.01 -0.62 -4.41 115.64 117.52 3a18 s THR 341 Ca 0.30 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.60 3a18 s THR 341 Cb 0.19 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3a18 s THR 341 CO 0.28 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 3a18 n GLY 342 N 3.49 2.92 0.06 4.40 0.00 -1.26 -1.00 105.19 113.80 3a18 n GLY 342 Ca 0.12 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.40 3a18 n GLY 342 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a18 n MET 343 N 14.00 0.11 0.13 1.61 2.81 -1.26 -3.41 117.12 131.10 3a18 n MET 343 Ca 0.00 0.28 0.02 0.00 -1.81 0.00 0.00 57.70 56.19 3a18 n MET 343 Cb 0.00 -1.68 0.38 0.00 -0.71 0.00 0.00 33.22 31.21 3a18 n MET 343 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3a18 h LEU 344 N 0.00 0.19 -0.38 4.03 3.38 -1.35 -2.84 115.31 118.34 3a18 h LEU 344 Ca 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3a18 h LEU 344 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3a18 h LEU 344 CO 0.00 0.39 0.12 -0.09 0.09 0.00 0.00 178.44 178.95 3a18 h ARG 345 N 0.19 0.59 -0.01 1.13 2.43 -1.57 -3.30 114.38 113.83 3a18 h ARG 345 Ca 0.04 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3a18 h ARG 345 Cb 0.43 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3a18 h ARG 345 CO 0.03 0.60 -0.14 -0.25 -1.51 0.00 0.00 179.97 178.69 3a18 n ASP 346 N -4.62 1.79 -4.77 -3.80 8.00 -1.23 -5.01 116.55 106.91 3a18 n ASP 346 Ca -0.01 -1.40 -0.40 0.00 0.71 0.00 0.00 54.79 53.69 3a18 n ASP 346 Cb 0.17 0.24 -0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3a18 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a18 s ALA 347 N -1.41 3.43 -0.10 2.24 0.00 -1.07 -4.87 121.76 119.99 3a18 s ALA 347 Ca 0.14 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.24 3a18 s ALA 347 Cb 0.11 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3a18 s ALA 347 CO 0.25 -0.97 1.12 0.14 0.00 0.00 0.00 175.76 176.30 3a18 s VAL 348 N -1.17 4.50 0.77 0.00 -7.23 0.49 -4.80 120.40 112.96 3a18 s VAL 348 Ca 0.55 1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 62.40 3a18 s VAL 348 Cb -0.43 -4.15 0.05 0.00 0.56 0.00 0.00 36.38 32.40 3a18 s VAL 348 CO 0.57 -0.03 1.09 0.42 -0.31 0.00 0.00 175.10 176.84 3a18 s THR 349 N 2.34 3.35 0.38 5.32 -4.23 -1.26 -0.67 115.64 120.87 3a18 s THR 349 Ca 0.52 0.44 0.06 0.00 -1.18 0.00 0.00 61.69 61.53 3a18 s THR 349 Cb -0.21 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 70.74 3a18 s THR 349 CO 0.18 -0.57 1.99 0.40 -0.54 0.00 0.00 174.62 176.09 3a18 h ILE 350 N -0.98 1.05 0.00 2.99 2.04 -1.85 -0.70 117.51 120.06 3a18 h ILE 350 Ca -0.46 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3a18 h ILE 350 Cb 1.25 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3a18 h ILE 350 CO 0.58 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.86 3a18 n ALA 351 N -2.46 2.15 -0.08 1.87 0.00 -1.26 -3.69 120.51 117.04 3a18 n ALA 351 Ca 0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 3a18 n ALA 351 Cb 0.17 -1.38 -0.16 0.00 0.00 0.00 0.00 19.45 18.08 3a18 n ALA 351 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a18 n GLU 352 N -1.38 0.68 0.00 0.00 1.02 -0.28 -5.26 120.64 115.41 3a18 n GLU 352 Ca 0.09 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3a18 n GLU 352 Cb 0.23 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3a18 n GLU 352 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92