#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a17 s GLU 2 N 0.00 3.42 0.10 0.03 2.02 -1.23 -4.85 118.70 118.19 3a17 s GLU 2 Ca 0.00 1.80 -0.05 0.00 0.02 0.00 0.00 54.97 56.73 3a17 s GLU 2 Cb 0.00 -2.19 -0.05 0.00 0.10 0.00 0.00 34.13 31.99 3a17 s GLU 2 CO 0.00 -0.84 0.35 0.45 0.02 0.00 0.00 175.26 175.24 3a17 s SER 3 N -1.47 6.50 0.37 -0.19 0.15 -1.26 -1.38 113.70 116.42 3a17 s SER 3 Ca 0.70 0.59 0.09 0.00 0.70 0.00 0.00 55.95 58.02 3a17 s SER 3 Cb -0.29 -2.09 0.73 0.00 -1.71 0.00 0.00 66.02 62.66 3a17 s SER 3 CO 0.34 0.12 1.88 0.00 1.20 0.00 0.00 173.24 176.78 3a17 h ALA 4 N 3.19 1.45 -2.15 5.45 0.00 -1.93 -3.42 119.26 121.85 3a17 h ALA 4 Ca -0.47 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 53.63 3a17 h ALA 4 Cb 1.17 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3a17 h ALA 4 CO 0.71 0.39 0.71 0.42 0.00 0.00 0.00 179.25 181.48 3a17 s ILE 5 N -4.64 4.72 0.45 0.00 1.01 -1.26 -4.96 121.20 116.52 3a17 s ILE 5 Ca -0.05 2.03 -0.25 0.00 0.00 0.00 0.00 60.65 62.38 3a17 s ILE 5 Cb 0.15 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 3a17 s ILE 5 CO 0.74 -0.11 1.34 0.61 0.00 0.00 0.00 174.94 177.52 3a17 n GLY 6 N 3.24 0.76 0.37 6.18 0.00 -1.26 -4.76 105.19 109.72 3a17 n GLY 6 Ca 0.11 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 3a17 n GLY 6 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a17 h GLU 7 N 2.07 -0.05 0.00 1.61 5.08 -1.93 0.21 114.58 121.57 3a17 h GLU 7 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3a17 h GLU 7 Cb 1.29 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3a17 h GLU 7 CO 0.60 -0.03 0.00 -2.39 -1.00 0.00 0.00 179.01 176.18 3a17 n HIS 8 N -5.46 0.74 0.86 4.33 1.44 -1.26 -2.09 115.22 113.78 3a17 n HIS 8 Ca 0.08 0.34 0.09 0.00 -2.01 0.00 0.00 57.72 56.22 3a17 n HIS 8 Cb 0.39 -1.05 -0.04 0.00 0.12 0.00 0.00 29.99 29.41 3a17 n HIS 8 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3a17 n LEU 9 N -2.22 1.45 -4.77 2.39 4.77 0.72 -4.95 117.00 114.39 3a17 n LEU 9 Ca 0.00 -0.66 -0.39 0.00 -0.03 0.00 0.00 56.01 54.93 3a17 n LEU 9 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3a17 n LEU 9 CO 0.14 0.29 0.85 -1.10 -1.33 0.00 0.00 177.39 176.25 3a17 s GLN 10 N -2.40 4.26 0.31 3.23 -0.21 -0.89 -4.93 119.66 119.02 3a17 s GLN 10 Ca 0.12 1.90 -0.18 0.00 0.02 0.00 0.00 55.36 57.22 3a17 s GLN 10 Cb 0.15 -2.87 0.03 0.00 1.00 0.00 0.00 33.01 31.31 3a17 s GLN 10 CO 0.59 -0.16 0.71 0.00 -2.12 0.00 0.00 175.29 174.30 3a17 s PRO 12 N -3.44 3.78 0.26 0.00 0.02 -1.26 -4.95 135.00 129.41 3a17 s PRO 12 Ca 0.14 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.20 3a17 s PRO 12 Cb -0.05 -4.22 -0.10 0.00 0.02 0.00 0.00 34.50 30.15 3a17 s PRO 12 CO 0.09 -1.36 1.35 1.03 -0.33 0.00 0.00 177.00 177.78 3a17 s ARG 13 N 5.09 4.34 -0.00 5.54 0.52 -1.26 -4.84 118.95 128.34 3a17 s ARG 13 Ca 0.91 2.19 0.12 0.00 -0.52 0.00 0.00 55.73 58.42 3a17 s ARG 13 Cb -0.38 -3.13 -0.14 0.00 0.52 0.00 0.00 34.95 31.83 3a17 s ARG 13 CO 0.38 -0.28 0.49 0.25 0.02 0.00 0.00 175.30 176.16 3a17 n THR 14 N 1.95 0.00 -4.93 0.02 -2.24 0.47 -4.96 114.28 104.58 3a17 n THR 14 Ca 0.04 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 3a17 n THR 14 Cb 0.42 0.93 -0.16 0.00 -2.10 0.00 0.00 70.33 69.41 3a17 n THR 14 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a17 s LEU 15 N -2.69 1.95 0.31 3.22 1.43 -0.35 -4.98 118.68 117.58 3a17 s LEU 15 Ca 0.04 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3a17 s LEU 15 Cb 0.09 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 3a17 s LEU 15 CO 0.50 0.18 0.45 0.42 0.23 0.00 0.00 176.35 178.12 3a17 s THR 16 N -0.03 4.32 0.99 5.49 -4.23 -1.26 -4.69 115.64 116.23 3a17 s THR 16 Ca -0.03 -0.99 -0.14 0.00 -1.18 0.00 0.00 61.69 59.35 3a17 s THR 16 Cb -0.12 -3.50 0.18 0.00 1.34 0.00 0.00 72.50 70.40 3a17 s THR 16 CO 0.02 -0.19 1.13 -0.13 -0.54 0.00 0.00 174.62 174.91 3a17 s ARG 17 N -4.13 0.50 0.00 3.99 0.52 -1.26 -4.99 118.95 113.57 3a17 s ARG 17 Ca 0.43 0.24 0.22 0.00 -0.52 0.00 0.00 55.73 56.10 3a17 s ARG 17 Cb -0.09 -1.77 0.24 0.00 0.52 0.00 0.00 34.95 33.85 3a17 s ARG 17 CO 0.31 -2.63 1.24 2.89 0.02 0.00 0.00 175.30 177.13 3a17 n ARG 18 N -4.05 2.14 -4.24 3.54 1.85 -1.26 -4.90 116.66 109.74 3a17 n ARG 18 Ca 0.08 -1.92 -0.20 0.00 -1.00 0.00 0.00 57.85 54.81 3a17 n ARG 18 Cb 0.59 -1.44 -0.12 0.00 -1.05 0.00 0.00 32.46 30.44 3a17 n ARG 18 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3a17 s VAL 19 N -1.69 1.25 0.80 8.89 -7.23 -1.26 -5.15 120.40 116.01 3a17 s VAL 19 Ca 0.29 -1.30 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 3a17 s VAL 19 Cb 0.19 -1.17 0.07 0.00 0.56 0.00 0.00 36.38 36.03 3a17 s VAL 19 CO 0.28 -0.14 1.09 -2.16 -0.31 0.00 0.00 175.10 173.86 3a17 s PRO 20 N -1.66 2.00 0.02 4.82 0.04 -1.26 -4.91 135.00 134.05 3a17 s PRO 20 Ca 0.01 1.02 0.10 0.00 0.04 0.00 0.00 61.00 62.16 3a17 s PRO 20 Cb -0.10 -1.88 0.43 0.00 0.04 0.00 0.00 34.50 32.99 3a17 s PRO 20 CO 0.02 -1.78 1.32 -0.25 0.04 0.00 0.00 177.00 176.36 3a17 n ASP 21 N -3.59 0.04 0.05 6.66 8.00 -1.26 -1.34 116.55 125.11 3a17 n ASP 21 Ca 0.08 0.51 0.13 0.00 0.71 0.00 0.00 54.79 56.23 3a17 n ASP 21 Cb 0.54 -0.52 0.51 0.00 -0.02 0.00 0.00 41.12 41.63 3a17 n ASP 21 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3a17 n THR 22 N -1.54 0.32 -1.56 -3.53 -2.24 -1.26 -4.93 114.28 99.53 3a17 n THR 22 Ca 0.02 -0.11 -0.48 0.00 -2.27 0.00 0.00 64.05 61.21 3a17 n THR 22 Cb 0.11 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.73 3a17 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a17 n TYR 23 N -1.85 1.13 -4.37 4.78 9.36 -0.45 -5.01 117.16 120.75 3a17 n TYR 23 Ca 0.06 0.72 -0.31 0.00 3.32 0.00 0.00 57.90 61.69 3a17 n TYR 23 Cb 0.37 -2.24 -0.16 0.00 -0.63 0.00 0.00 39.34 36.67 3a17 n TYR 23 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3a17 s THR 24 N -0.46 1.78 0.58 2.97 2.01 -1.26 -5.03 115.64 116.23 3a17 s THR 24 Ca 0.69 -0.79 -0.20 0.00 0.31 0.00 0.00 61.69 61.70 3a17 s THR 24 Cb -0.83 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 3a17 s THR 24 CO 0.54 0.50 1.33 -0.81 -0.69 0.00 0.00 174.62 175.49 3a17 n PRO 25 N 4.36 1.49 0.25 4.92 -0.04 -1.26 -4.95 135.00 139.75 3a17 n PRO 25 Ca -0.19 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 63.96 3a17 n PRO 25 Cb 0.51 -2.56 0.46 0.00 -0.04 0.00 0.00 33.50 31.87 3a17 n PRO 25 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3a17 h PRO 26 N 1.11 0.00 -3.42 0.54 0.13 -1.90 -3.46 132.00 125.00 3a17 h PRO 26 Ca -0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 3a17 h PRO 26 Cb 1.32 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.34 3a17 h PRO 26 CO 0.56 0.05 -0.04 -0.59 -0.23 0.00 0.00 178.00 177.74 3a17 s PHE 27 N -3.48 -0.02 0.25 1.56 -0.12 -1.26 -5.13 117.98 109.79 3a17 s PHE 27 Ca 0.03 -0.33 -0.30 0.00 -0.05 0.00 0.00 56.93 56.28 3a17 s PHE 27 Cb 0.08 0.30 -0.09 0.00 -0.63 0.00 0.00 43.02 42.68 3a17 s PHE 27 CO 0.61 -0.87 1.10 -2.14 -0.05 0.00 0.00 175.22 173.86 3a17 s PRO 28 N -3.89 4.63 0.05 1.99 0.02 -1.26 -5.02 135.00 131.52 3a17 s PRO 28 Ca 0.11 1.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.90 3a17 s PRO 28 Cb -0.00 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 3a17 s PRO 28 CO -0.02 0.18 -0.03 -1.64 -0.33 0.00 0.00 177.00 175.15 3a17 s MET 29 N -1.17 0.59 0.11 5.54 -1.94 -1.26 -4.91 119.30 116.25 3a17 s MET 29 Ca 0.46 -1.15 0.06 0.00 -1.71 0.00 0.00 55.69 53.35 3a17 s MET 29 Cb -0.31 0.16 -0.04 0.00 2.01 0.00 0.00 34.83 36.65 3a17 s MET 29 CO 0.39 -0.09 -0.16 -1.58 -0.01 0.00 0.00 175.02 173.57 3a17 s TRP 30 N -3.56 1.46 0.28 -0.03 0.51 0.41 -1.99 118.94 116.02 3a17 s TRP 30 Ca 0.04 -0.49 0.11 0.00 -2.12 0.00 0.00 56.10 53.64 3a17 s TRP 30 Cb 0.05 -0.78 -0.05 0.00 -0.81 0.00 0.00 33.47 31.88 3a17 s TRP 30 CO -0.08 0.15 -0.19 0.14 -0.51 0.00 0.00 176.95 176.46 3a17 s VAL 31 N -1.71 2.40 0.25 4.03 -7.23 -1.26 0.32 120.40 117.20 3a17 s VAL 31 Ca 0.06 -2.38 -0.30 0.00 -1.81 0.00 0.00 61.98 57.55 3a17 s VAL 31 Cb -0.07 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.48 3a17 s VAL 31 CO 0.03 -0.41 1.06 -0.83 -0.31 0.00 0.00 175.10 174.65 3a17 s GLY 32 N -3.50 3.04 0.06 2.32 0.00 -1.26 -1.54 107.32 106.45 3a17 s GLY 32 Ca 0.29 0.82 0.05 0.00 0.00 0.00 0.00 44.72 45.89 3a17 s GLY 32 CO 0.14 1.46 -0.08 0.50 0.00 0.00 0.00 173.10 175.12 3a17 s ARG 33 N -1.20 2.35 -0.25 2.90 1.81 0.90 -4.86 118.95 120.61 3a17 s ARG 33 Ca 0.44 -0.88 -0.26 0.00 -1.72 0.00 0.00 55.73 53.32 3a17 s ARG 33 Cb -0.30 -2.41 0.07 0.00 -0.45 0.00 0.00 34.95 31.86 3a17 s ARG 33 CO 0.38 0.55 0.73 0.00 -0.68 0.00 0.00 175.30 176.28 3a17 s ALA 34 N -1.13 -1.79 0.91 2.13 0.00 -1.26 -0.45 121.76 120.18 3a17 s ALA 34 Ca 0.20 1.95 -0.08 0.00 0.00 0.00 0.00 51.96 54.03 3a17 s ALA 34 Cb -0.11 -1.07 0.14 0.00 0.00 0.00 0.00 23.12 22.08 3a17 s ALA 34 CO 0.12 -0.34 0.82 -0.40 0.00 0.00 0.00 175.76 175.96 3a17 n ASP 35 N 2.48 0.25 0.00 0.00 5.68 -1.26 -4.90 116.55 118.81 3a17 n ASP 35 Ca -0.14 -1.42 0.02 0.00 -0.50 0.00 0.00 54.79 52.75 3a17 n ASP 35 Cb 0.55 -0.61 0.08 0.00 -1.14 0.00 0.00 41.12 40.00 3a17 n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3a17 n ASP 36 N -3.42 0.00 0.02 -1.12 5.68 -1.26 -1.34 116.55 115.11 3a17 n ASP 36 Ca 0.11 0.43 -0.01 0.00 -0.50 0.00 0.00 54.79 54.82 3a17 n ASP 36 Cb 0.38 -0.44 0.28 0.00 -1.14 0.00 0.00 41.12 40.20 3a17 n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a17 h ALA 37 N 2.14 1.31 -1.49 2.12 0.00 -2.01 -3.37 119.26 117.96 3a17 h ALA 37 Ca 0.00 -0.25 -0.60 0.00 0.00 0.00 0.00 54.91 54.06 3a17 h ALA 37 Cb 0.06 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 17.60 3a17 h ALA 37 CO 0.00 0.46 0.94 -1.17 0.00 0.00 0.00 179.25 179.48 3a17 s LEU 38 N -8.88 3.89 -0.24 0.00 2.96 -0.45 -4.83 118.68 111.12 3a17 s LEU 38 Ca -0.07 -1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 52.74 3a17 s LEU 38 Cb 0.15 -2.49 -0.17 0.00 0.50 0.00 0.00 46.19 44.18 3a17 s LEU 38 CO 0.77 -1.54 -0.16 0.00 -1.32 0.00 0.00 176.35 174.10 3a17 n GLN 39 N 8.34 0.63 -3.69 1.98 6.02 -1.26 -4.63 117.38 124.77 3a17 n GLN 39 Ca 0.09 0.25 -0.10 0.00 -0.01 0.00 0.00 57.00 57.23 3a17 n GLN 39 Cb 0.48 -1.56 -0.11 0.00 1.02 0.00 0.00 30.24 30.08 3a17 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3a17 s GLN 40 N -2.51 0.39 0.38 -1.09 0.74 -1.26 0.14 119.66 116.45 3a17 s GLN 40 Ca -0.34 0.82 0.04 0.00 0.05 0.00 0.00 55.36 55.93 3a17 s GLN 40 Cb 0.11 0.01 -0.01 0.00 1.10 0.00 0.00 33.01 34.22 3a17 s GLN 40 CO 0.58 -0.17 0.54 0.14 -0.55 0.00 0.00 175.29 175.84 3a17 s VAL 41 N 1.53 4.09 -0.16 1.34 -7.23 -0.78 -3.47 120.40 115.72 3a17 s VAL 41 Ca -0.09 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 3a17 s VAL 41 Cb -0.09 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.42 3a17 s VAL 41 CO -0.13 -0.23 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.56 3a17 s VAL 42 N -2.32 1.86 -0.38 1.32 1.01 -0.90 -3.39 120.40 117.61 3a17 s VAL 42 Ca 0.46 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3a17 s VAL 42 Cb -0.10 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.63 3a17 s VAL 42 CO 0.34 0.51 0.21 -0.04 0.00 0.00 0.00 175.10 176.11 3a17 s MET 43 N 1.26 2.78 -0.31 2.72 -1.94 0.10 -1.31 119.30 122.61 3a17 s MET 43 Ca 0.02 -1.13 -0.03 0.00 -1.71 0.00 0.00 55.69 52.84 3a17 s MET 43 Cb -0.13 -3.72 0.04 0.00 2.01 0.00 0.00 34.83 33.03 3a17 s MET 43 CO -0.10 -0.73 0.03 0.20 -0.01 0.00 0.00 175.02 174.41 3a17 s GLY 44 N 1.60 1.77 -0.32 -0.03 0.00 -0.12 -1.14 107.32 109.09 3a17 s GLY 44 Ca 0.02 -1.73 -0.12 0.00 0.00 0.00 0.00 44.72 42.89 3a17 s GLY 44 CO 0.06 0.70 0.21 -0.19 0.00 0.00 0.00 173.10 173.89 3a17 s TYR 45 N 1.31 3.22 -0.20 1.90 1.51 -0.34 -0.67 117.35 124.07 3a17 s TYR 45 Ca -0.04 -0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 55.86 3a17 s TYR 45 Cb -0.19 -2.43 0.02 0.00 -0.11 0.00 0.00 41.96 39.24 3a17 s TYR 45 CO 0.00 -0.31 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.48 3a17 s LEU 46 N 1.72 2.51 0.10 -1.29 1.02 0.12 -0.15 118.68 122.70 3a17 s LEU 46 Ca 0.06 -0.64 0.08 0.00 0.02 0.00 0.00 54.13 53.65 3a17 s LEU 46 Cb -0.17 -1.57 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 3a17 s LEU 46 CO 0.10 -0.03 -0.18 -0.83 0.02 0.00 0.00 176.35 175.43 3a17 s GLY 47 N 1.33 1.65 -0.12 -3.19 0.00 0.46 -0.15 107.32 107.31 3a17 s GLY 47 Ca 0.04 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.48 3a17 s GLY 47 CO -0.09 -1.26 -0.21 0.14 0.00 0.00 0.00 173.10 171.67 3a17 s VAL 48 N -1.08 1.92 -0.05 1.40 1.01 0.46 -2.01 120.40 122.05 3a17 s VAL 48 Ca 0.17 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3a17 s VAL 48 Cb -0.11 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3a17 s VAL 48 CO 0.09 0.53 -0.21 -1.58 0.00 0.00 0.00 175.10 173.93 3a17 s GLN 49 N 0.65 2.44 0.02 2.72 0.74 0.14 -0.55 119.66 125.82 3a17 s GLN 49 Ca -0.12 -0.82 -0.17 0.00 0.05 0.00 0.00 55.36 54.30 3a17 s GLN 49 Cb -0.16 -2.23 0.03 0.00 1.10 0.00 0.00 33.01 31.74 3a17 s GLN 49 CO 0.03 0.52 0.37 -0.59 -0.55 0.00 0.00 175.29 175.07 3a17 s PHE 50 N -0.48 -0.23 -0.26 1.67 -0.71 -0.19 -0.70 117.98 117.08 3a17 s PHE 50 Ca 0.06 0.24 -0.01 0.00 -1.04 0.00 0.00 56.93 56.18 3a17 s PHE 50 Cb -0.11 0.16 -0.16 0.00 -1.21 0.00 0.00 43.02 41.70 3a17 s PHE 50 CO 0.01 -0.50 -0.25 -2.13 -1.34 0.00 0.00 175.22 171.01 3a17 n ARG 51 N 0.79 0.63 -3.97 1.99 0.63 -1.26 0.03 116.66 115.49 3a17 n ARG 51 Ca -0.19 0.17 -0.25 0.00 -0.92 0.00 0.00 57.85 56.66 3a17 n ARG 51 Cb 0.58 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.96 3a17 n ARG 51 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3a17 s ASP 52 N -6.68 6.24 0.36 6.15 1.01 -1.26 -4.75 116.67 117.75 3a17 s ASP 52 Ca -0.35 0.11 0.04 0.00 0.71 0.00 0.00 52.55 53.05 3a17 s ASP 52 Cb 0.10 -1.84 0.69 0.00 1.01 0.00 0.00 42.92 42.88 3a17 s ASP 52 CO 0.57 0.02 2.00 -0.08 0.21 0.00 0.00 175.17 177.88 3a17 h GLU 53 N 1.89 0.78 0.00 8.23 4.57 -2.02 -2.34 114.58 125.69 3a17 h GLU 53 Ca -0.49 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 3a17 h GLU 53 Cb 1.21 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 3a17 h GLU 53 CO 0.66 0.51 0.00 -0.40 -1.18 0.00 0.00 179.01 178.60 3a17 n ASP 54 N -4.46 0.00 0.01 1.04 5.68 -1.26 -2.76 116.55 114.81 3a17 n ASP 54 Ca 0.08 -0.67 0.12 0.00 -0.50 0.00 0.00 54.79 53.82 3a17 n ASP 54 Cb 0.11 -0.09 0.15 0.00 -1.14 0.00 0.00 41.12 40.15 3a17 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a17 n GLN 55 N -1.09 0.07 0.06 0.11 6.02 -0.88 -4.52 117.38 117.15 3a17 n GLN 55 Ca 0.19 0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 57.08 3a17 n GLN 55 Cb 0.14 -1.53 -0.05 0.00 1.02 0.00 0.00 30.24 29.81 3a17 n GLN 55 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3a17 h ARG 56 N 0.00 -0.19 -0.58 -1.09 2.43 -1.62 -1.01 114.38 112.31 3a17 h ARG 56 Ca 0.00 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.29 3a17 h ARG 56 Cb 0.56 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.06 3a17 h ARG 56 CO 0.00 -0.12 0.10 -1.35 -1.51 0.00 0.00 179.97 177.08 3a17 h PRO 57 N -0.19 0.22 -0.56 0.20 0.11 -1.82 0.19 132.00 130.14 3a17 h PRO 57 Ca 0.04 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 3a17 h PRO 57 Cb 0.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 3a17 h PRO 57 CO -0.10 0.14 0.09 0.00 -0.21 0.00 0.00 178.00 177.92 3a17 h ALA 58 N 1.48 1.11 -0.19 -0.75 0.00 -1.80 -2.35 119.26 116.76 3a17 h ALA 58 Ca 0.31 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3a17 h ALA 58 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3a17 h ALA 58 CO -0.41 0.58 -0.05 0.00 0.00 0.00 0.00 179.25 179.37 3a17 h ALA 59 N 1.25 0.26 -0.79 0.00 0.00 -0.05 -1.87 119.26 118.06 3a17 h ALA 59 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3a17 h ALA 59 Cb 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3a17 h ALA 59 CO 0.01 0.04 0.36 -0.07 0.00 0.00 0.00 179.25 179.58 3a17 h LEU 60 N 0.07 1.05 -0.55 0.00 3.38 -0.65 -1.35 115.31 117.27 3a17 h LEU 60 Ca 0.05 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 3a17 h LEU 60 Cb 0.50 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3a17 h LEU 60 CO 0.02 0.90 -0.12 -0.61 0.09 0.00 0.00 178.44 178.72 3a17 h GLN 61 N 1.13 1.04 -0.64 1.13 5.75 -1.40 -0.64 115.11 121.49 3a17 h GLN 61 Ca 0.27 -0.39 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3a17 h GLN 61 Cb 0.15 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3a17 h GLN 61 CO -0.03 1.09 0.40 0.00 -2.65 0.00 0.00 178.83 177.64 3a17 h ALA 62 N 0.92 0.81 -0.85 3.38 0.00 -1.07 -0.55 119.26 121.90 3a17 h ALA 62 Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3a17 h ALA 62 Cb 0.69 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3a17 h ALA 62 CO 0.05 0.26 0.55 1.98 0.00 0.00 0.00 179.25 182.10 3a17 h MET 63 N 0.86 1.05 -0.05 0.00 1.85 -0.96 -1.87 114.93 115.81 3a17 h MET 63 Ca 0.23 -0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 59.19 3a17 h MET 63 Cb -0.06 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 31.72 3a17 h MET 63 CO -0.05 0.69 -0.28 0.00 -0.40 0.00 0.00 176.91 176.88 3a17 h ARG 64 N 1.08 0.09 -0.21 0.39 3.08 -0.51 -1.73 114.38 116.56 3a17 h ARG 64 Ca 0.34 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.27 3a17 h ARG 64 Cb -0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3a17 h ARG 64 CO -0.11 0.36 -0.23 -0.44 -1.07 0.00 0.00 179.97 178.48 3a17 h ASP 65 N 0.08 0.57 -0.52 7.04 3.32 -0.62 -1.94 116.42 124.35 3a17 h ASP 65 Ca 0.01 -0.48 0.04 0.00 0.02 0.00 0.00 57.03 56.62 3a17 h ASP 65 Cb 0.53 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3a17 h ASP 65 CO 0.04 0.94 0.27 0.40 -1.72 0.00 0.00 179.24 179.17 3a17 h ILE 66 N 0.21 0.97 -0.30 0.35 2.04 -1.16 -1.00 117.51 118.62 3a17 h ILE 66 Ca 0.03 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3a17 h ILE 66 Cb 0.78 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3a17 h ILE 66 CO 0.06 0.10 -0.18 0.58 0.00 0.00 0.00 178.15 178.71 3a17 h VAL 67 N 0.53 1.25 -0.60 1.67 2.07 -1.31 -2.69 116.25 117.17 3a17 h VAL 67 Ca 0.23 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 3a17 h VAL 67 Cb 0.12 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3a17 h VAL 67 CO -0.15 0.38 0.03 0.00 0.02 0.00 0.00 177.57 177.85 3a17 h ALA 68 N 1.32 0.92 0.00 1.67 0.00 -0.95 -2.56 119.26 119.66 3a17 h ALA 68 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3a17 h ALA 68 Cb 0.59 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a17 h ALA 68 CO 0.04 0.65 0.07 0.78 0.00 0.00 0.00 179.25 180.79 3a17 h GLY 69 N 1.01 0.00 2.00 0.00 0.00 -0.85 -1.71 103.07 103.53 3a17 h GLY 69 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 3a17 h GLY 69 CO 0.02 0.00 -0.16 0.74 0.00 0.00 0.00 176.54 177.14 3a17 h PHE 70 N 0.00 0.00 0.00 5.60 0.04 -1.40 -3.13 116.94 118.04 3a17 h PHE 70 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3a17 h PHE 70 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 3a17 h PHE 70 CO 0.00 0.16 0.00 -0.25 -0.60 0.00 0.00 178.31 177.62 3a17 n ASP 71 N -3.22 0.69 -4.73 2.17 9.92 -0.64 -4.14 116.55 116.59 3a17 n ASP 71 Ca 0.02 0.59 -0.32 0.00 -0.53 0.00 0.00 54.79 54.55 3a17 n ASP 71 Cb 0.48 -0.77 0.11 0.00 -0.64 0.00 0.00 41.12 40.30 3a17 n ASP 71 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3a17 s LEU 72 N -4.36 3.04 0.46 0.64 1.43 -1.19 -4.93 118.68 113.78 3a17 s LEU 72 Ca 0.09 2.01 -0.22 0.00 -1.03 0.00 0.00 54.13 54.98 3a17 s LEU 72 Cb 0.12 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.69 3a17 s LEU 72 CO 0.52 -2.37 0.86 -2.65 0.23 0.00 0.00 176.35 172.94 3a17 n PRO 73 N -3.57 1.03 -1.30 1.29 -0.02 -1.26 -2.29 135.00 128.88 3a17 n PRO 73 Ca 0.11 0.38 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3a17 n PRO 73 Cb 0.52 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 3a17 n PRO 73 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a17 n ASP 74 N 0.46 -4.65 -4.59 2.55 8.00 -1.26 -4.75 116.55 112.30 3a17 n ASP 74 Ca 0.11 0.26 -0.29 0.00 0.71 0.00 0.00 54.79 55.58 3a17 n ASP 74 Cb 0.41 -3.06 0.21 0.00 -0.02 0.00 0.00 41.12 38.66 3a17 n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3a17 s GLY 75 N -2.68 1.57 0.37 0.44 0.00 -0.97 -4.50 107.32 101.55 3a17 s GLY 75 Ca 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 44.72 44.27 3a17 s GLY 75 CO 0.00 0.46 1.26 2.56 0.00 0.00 0.00 173.10 177.38 3a17 s PRO 76 N -4.71 4.17 0.49 2.90 0.04 -1.26 -4.93 135.00 131.69 3a17 s PRO 76 Ca 0.67 2.07 0.18 0.00 0.04 0.00 0.00 61.00 63.96 3a17 s PRO 76 Cb -0.22 -2.87 1.20 0.00 0.04 0.00 0.00 34.50 32.65 3a17 s PRO 76 CO 0.61 -0.30 2.06 0.00 0.04 0.00 0.00 177.00 179.41 3a17 h ALA 77 N 2.98 1.70 -2.56 8.56 0.00 -1.19 -3.45 119.26 125.30 3a17 h ALA 77 Ca -0.49 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 3a17 h ALA 77 Cb 1.23 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 3a17 h ALA 77 CO 0.64 0.14 -0.26 -1.58 0.00 0.00 0.00 179.25 178.19 3a17 s HIS 78 N -4.68 -0.09 0.12 0.00 5.65 -1.19 -5.00 115.29 110.09 3a17 s HIS 78 Ca -0.04 -0.06 -0.22 0.00 0.25 0.00 0.00 55.06 54.99 3a17 s HIS 78 Cb 0.16 0.08 0.06 0.00 -1.18 0.00 0.00 32.58 31.70 3a17 s HIS 78 CO 0.66 -0.50 0.54 -3.38 -0.65 0.00 0.00 174.74 171.41 3a17 s HIS 79 N -2.57 -0.44 0.08 3.88 -0.00 -1.26 -0.91 115.29 114.08 3a17 s HIS 79 Ca -0.05 0.30 -0.12 0.00 -0.00 0.00 0.00 55.06 55.19 3a17 s HIS 79 Cb -0.01 0.43 0.01 0.00 -0.00 0.00 0.00 32.58 33.02 3a17 s HIS 79 CO -0.03 -0.76 0.27 0.16 -0.00 0.00 0.00 174.74 174.38 3a17 s ASP 80 N -2.52 -0.04 -0.07 7.38 1.47 -0.79 -5.00 116.67 117.10 3a17 s ASP 80 Ca -0.00 -0.42 0.05 0.00 1.18 0.00 0.00 52.55 53.35 3a17 s ASP 80 Cb -0.00 0.37 -0.01 0.00 -0.34 0.00 0.00 42.92 42.94 3a17 s ASP 80 CO -0.09 -0.72 -0.22 -0.76 0.68 0.00 0.00 175.17 174.07 3a17 s LEU 81 N -2.57 2.26 0.23 2.11 1.43 -1.26 -1.23 118.68 119.66 3a17 s LEU 81 Ca 0.01 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3a17 s LEU 81 Cb 0.02 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 3a17 s LEU 81 CO -0.09 0.24 0.04 0.42 0.23 0.00 0.00 176.35 177.19 3a17 s THR 82 N -0.11 0.79 -0.00 5.49 -4.23 0.38 -0.69 115.64 117.26 3a17 s THR 82 Ca -0.04 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3a17 s THR 82 Cb -0.14 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 3a17 s THR 82 CO 0.04 -0.22 -0.08 -2.28 -0.54 0.00 0.00 174.62 171.55 3a17 s HIS 83 N -3.59 0.71 0.03 3.99 5.04 0.32 -1.21 115.29 120.58 3a17 s HIS 83 Ca 0.31 -0.15 -0.20 0.00 -1.54 0.00 0.00 55.06 53.49 3a17 s HIS 83 Cb 0.07 -0.45 0.04 0.00 0.04 0.00 0.00 32.58 32.28 3a17 s HIS 83 CO 0.10 -0.01 0.45 -3.38 -2.34 0.00 0.00 174.74 169.55 3a17 s HIS 84 N -0.24 -0.33 -0.26 3.88 -3.43 -0.70 -1.52 115.29 112.70 3a17 s HIS 84 Ca 0.03 0.37 -0.10 0.00 -0.80 0.00 0.00 55.06 54.55 3a17 s HIS 84 Cb -0.03 0.25 -0.05 0.00 -1.43 0.00 0.00 32.58 31.32 3a17 s HIS 84 CO -0.00 -0.57 0.15 0.42 -2.00 0.00 0.00 174.74 172.74 3a17 s ILE 85 N -2.21 5.10 0.97 -5.38 1.01 -1.26 0.04 121.20 119.46 3a17 s ILE 85 Ca -0.07 0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 3a17 s ILE 85 Cb -0.01 -3.40 0.22 0.00 0.01 0.00 0.00 42.46 39.28 3a17 s ILE 85 CO -0.00 0.31 1.31 -0.90 0.00 0.00 0.00 174.94 175.66 3a17 n ASP 86 N 4.69 0.11 0.00 3.58 5.68 -0.17 -4.92 116.55 125.52 3a17 n ASP 86 Ca -0.15 -1.48 0.13 0.00 -0.50 0.00 0.00 54.79 52.79 3a17 n ASP 86 Cb 0.52 -1.00 0.75 0.00 -1.14 0.00 0.00 41.12 40.24 3a17 n ASP 86 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3a17 n ASN 87 N -3.84 0.00 -1.02 -1.12 0.23 -1.26 -1.74 115.26 106.51 3a17 n ASN 87 Ca 0.16 -1.21 0.12 0.00 -0.53 0.00 0.00 54.58 53.12 3a17 n ASN 87 Cb 0.57 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.42 3a17 n ASN 87 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a17 n GLN 88 N -0.89 2.33 -0.65 -3.83 1.13 -1.26 -4.97 117.38 109.24 3a17 n GLN 88 Ca 0.19 -2.05 0.00 0.00 -1.94 0.00 0.00 57.00 53.20 3a17 n GLN 88 Cb 0.09 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.97 3a17 n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a17 n GLY 89 N 1.37 0.78 3.76 1.08 0.00 -0.71 -5.05 105.19 106.42 3a17 n GLY 89 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3a17 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a17 s TYR 90 N -2.93 3.87 0.06 1.61 1.51 -1.26 -4.80 117.35 115.41 3a17 s TYR 90 Ca 0.00 1.68 -0.22 0.00 -1.01 0.00 0.00 57.07 57.52 3a17 s TYR 90 Cb 0.00 -2.87 -0.06 0.00 -0.11 0.00 0.00 41.96 38.92 3a17 s TYR 90 CO 0.00 0.40 0.65 -1.21 -1.11 0.00 0.00 175.55 174.28 3a17 s GLU 91 N -0.72 4.36 -0.15 -0.62 2.02 0.10 -1.00 118.70 122.70 3a17 s GLU 91 Ca 0.39 0.88 -0.01 0.00 0.02 0.00 0.00 54.97 56.25 3a17 s GLU 91 Cb -0.23 -3.30 0.04 0.00 0.10 0.00 0.00 34.13 30.74 3a17 s GLU 91 CO 0.27 0.47 -0.04 -0.80 0.02 0.00 0.00 175.26 175.18 3a17 s ASN 92 N -0.60 2.58 -0.16 -0.19 0.01 0.11 -1.03 114.94 115.67 3a17 s ASN 92 Ca 0.33 -0.55 -0.16 0.00 -0.71 0.00 0.00 52.86 51.77 3a17 s ASN 92 Cb -0.20 -0.81 -0.04 0.00 0.41 0.00 0.00 41.25 40.61 3a17 s ASN 92 CO 0.20 -0.19 0.38 -0.76 -1.51 0.00 0.00 177.10 175.22 3a17 s LEU 93 N 1.71 4.24 -0.09 0.60 1.43 0.29 -1.72 118.68 125.14 3a17 s LEU 93 Ca 0.02 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 3a17 s LEU 93 Cb -0.15 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.58 3a17 s LEU 93 CO -0.07 0.03 -0.15 -0.63 0.23 0.00 0.00 176.35 175.75 3a17 s ILE 94 N 0.70 1.45 -0.25 -0.59 1.01 -0.35 -0.40 121.20 122.76 3a17 s ILE 94 Ca 0.20 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 3a17 s ILE 94 Cb -0.14 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3a17 s ILE 94 CO 0.07 0.43 0.13 -0.69 0.00 0.00 0.00 174.94 174.88 3a17 s VAL 95 N 0.77 4.98 -0.21 2.92 1.01 0.79 -0.47 120.40 130.20 3a17 s VAL 95 Ca -0.11 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 3a17 s VAL 95 Cb -0.16 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3a17 s VAL 95 CO 0.02 0.32 0.06 0.54 0.00 0.00 0.00 175.10 176.04 3a17 s VAL 96 N 1.38 4.51 0.03 2.92 0.11 -0.36 0.13 120.40 129.12 3a17 s VAL 96 Ca 0.06 -0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.05 3a17 s VAL 96 Cb -0.15 -3.05 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 3a17 s VAL 96 CO 0.06 0.41 -0.15 -0.83 -3.33 0.00 0.00 175.10 171.27 3a17 s GLY 97 N 0.86 1.63 -0.13 6.54 0.00 0.15 -1.88 107.32 114.48 3a17 s GLY 97 Ca 0.03 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.62 3a17 s GLY 97 CO 0.02 -1.04 -0.19 -0.19 0.00 0.00 0.00 173.10 171.71 3a17 s TYR 98 N -0.95 2.70 0.15 1.90 2.02 -0.08 -0.94 117.35 122.14 3a17 s TYR 98 Ca 0.15 -1.06 0.07 0.00 -0.37 0.00 0.00 57.07 55.87 3a17 s TYR 98 Cb -0.11 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 3a17 s TYR 98 CO 0.06 -0.46 -0.02 -1.58 -1.57 0.00 0.00 175.55 171.99 3a17 s TRP 99 N 0.63 2.84 -0.53 2.71 0.51 -0.43 -0.54 118.94 124.13 3a17 s TRP 99 Ca -0.10 -0.13 0.24 0.00 -2.12 0.00 0.00 56.10 53.99 3a17 s TRP 99 Cb -0.16 -1.41 0.25 0.00 -0.81 0.00 0.00 33.47 31.34 3a17 s TRP 99 CO 0.03 0.50 1.25 0.87 -0.51 0.00 0.00 176.95 179.09 3a17 h LYS 100 N 2.96 0.00 -4.21 4.98 1.57 -1.89 -2.38 116.57 117.60 3a17 h LYS 100 Ca -0.47 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.11 3a17 h LYS 100 Cb 1.19 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.39 3a17 h LYS 100 CO 0.57 0.00 -0.36 0.16 -0.57 0.00 0.00 179.45 179.25 3a17 s ASP 101 N -4.57 0.31 0.03 0.86 1.47 -1.23 -4.43 116.67 109.11 3a17 s ASP 101 Ca 0.04 -1.27 -0.19 0.00 1.18 0.00 0.00 52.55 52.31 3a17 s ASP 101 Cb 0.12 0.51 -0.20 0.00 -0.34 0.00 0.00 42.92 43.02 3a17 s ASP 101 CO 0.74 -1.04 1.19 0.58 0.68 0.00 0.00 175.17 177.31 3a17 h VAL 102 N 2.37 1.39 -0.24 2.11 2.07 -1.89 -3.33 116.25 118.74 3a17 h VAL 102 Ca -0.30 -1.88 -0.09 0.00 0.82 0.00 0.00 66.70 65.25 3a17 h VAL 102 Cb 1.25 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 3a17 h VAL 102 CO 0.43 0.55 -0.22 0.77 0.02 0.00 0.00 177.57 179.12 3a17 h SER 103 N 0.00 0.43 -0.45 0.57 4.64 -1.98 -2.03 113.55 114.74 3a17 h SER 103 Ca -0.04 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 3a17 h SER 103 Cb 1.16 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 3a17 h SER 103 CO 0.10 0.66 0.14 0.77 -0.87 0.00 0.00 176.83 177.64 3a17 h SER 104 N 0.39 0.65 -0.17 4.97 4.64 -1.93 0.18 113.55 122.29 3a17 h SER 104 Ca 0.06 -0.20 -0.09 0.00 -0.47 0.00 0.00 61.79 61.09 3a17 h SER 104 Cb 0.61 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3a17 h SER 104 CO 0.04 0.68 -0.16 -0.61 -0.87 0.00 0.00 176.83 175.91 3a17 h GLN 105 N 0.59 0.57 -0.09 4.77 -0.00 -1.62 -0.83 115.11 118.50 3a17 h GLN 105 Ca 0.15 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.65 58.60 3a17 h GLN 105 Cb 0.26 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.69 3a17 h GLN 105 CO -0.00 0.71 0.01 1.25 0.00 0.00 0.00 178.83 180.79 3a17 h HIS 106 N 0.51 0.16 -0.82 3.99 2.76 -1.10 -0.38 115.15 120.27 3a17 h HIS 106 Ca 0.09 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.32 3a17 h HIS 106 Cb 0.58 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.43 3a17 h HIS 106 CO 0.02 0.37 0.48 0.00 -1.30 0.00 0.00 177.93 177.51 3a17 h ARG 107 N -0.10 0.81 -0.09 5.26 3.08 -0.81 -1.02 114.38 121.51 3a17 h ARG 107 Ca 0.03 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3a17 h ARG 107 Cb 0.30 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3a17 h ARG 107 CO 0.00 0.54 -0.02 2.35 -1.07 0.00 0.00 179.97 181.77 3a17 h TRP 108 N 0.84 0.18 -0.66 3.04 7.01 -0.99 -1.38 115.95 123.99 3a17 h TRP 108 Ca 0.38 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.37 3a17 h TRP 108 Cb 0.29 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 3a17 h TRP 108 CO -0.05 0.47 0.42 0.77 -2.79 0.00 0.00 178.44 177.26 3a17 h SER 109 N -0.16 0.69 0.86 2.65 0.02 -0.86 -2.97 113.55 113.77 3a17 h SER 109 Ca 0.02 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3a17 h SER 109 Cb 0.41 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3a17 h SER 109 CO 0.01 0.48 -0.18 0.35 -1.14 0.00 0.00 176.83 176.35 3a17 n THR 110 N -4.68 0.04 -1.82 -2.27 -2.24 -0.41 -2.91 114.28 100.00 3a17 n THR 110 Ca 0.06 -0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.47 3a17 n THR 110 Cb 0.07 -0.25 0.05 0.00 -2.10 0.00 0.00 70.33 68.10 3a17 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a17 s SER 111 N -3.12 4.88 0.13 3.42 1.04 -0.52 -4.68 113.70 114.84 3a17 s SER 111 Ca 0.13 2.37 -0.20 0.00 0.48 0.00 0.00 55.95 58.72 3a17 s SER 111 Cb 0.18 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 3a17 s SER 111 CO 0.60 -1.80 1.71 0.74 0.98 0.00 0.00 173.24 175.47 3a17 h THR 112 N 0.48 0.83 -0.67 2.02 2.02 -1.90 0.86 112.91 116.57 3a17 h THR 112 Ca -0.49 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 66.75 3a17 h THR 112 Cb 1.30 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 3a17 h THR 112 CO 0.53 0.01 0.44 -0.65 0.37 0.00 0.00 175.52 176.22 3a17 h PRO 113 N 0.03 0.62 0.02 6.66 0.11 -1.94 -1.97 132.00 135.54 3a17 h PRO 113 Ca 0.09 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.01 3a17 h PRO 113 Cb 0.13 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3a17 h PRO 113 CO -0.18 0.41 -0.83 0.82 -0.21 0.00 0.00 178.00 178.02 3a17 h ILE 114 N 0.64 1.26 -0.45 4.15 1.08 -1.71 -3.24 117.51 119.24 3a17 h ILE 114 Ca 0.29 -2.28 -0.08 0.00 -0.39 0.00 0.00 64.86 62.40 3a17 h ILE 114 Cb 0.32 2.74 -0.02 0.00 -3.07 0.00 0.00 36.82 36.79 3a17 h ILE 114 CO -0.09 0.49 -0.05 0.00 -0.69 0.00 0.00 178.15 177.81 3a17 h ALA 115 N -0.23 1.07 -0.18 1.87 0.00 -0.71 -2.42 119.26 118.67 3a17 h ALA 115 Ca -0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3a17 h ALA 115 Cb 1.28 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3a17 h ALA 115 CO -0.08 0.58 -0.14 0.66 0.00 0.00 0.00 179.25 180.26 3a17 h SER 116 N 0.72 0.43 -0.90 0.00 4.64 -1.53 0.28 113.55 117.18 3a17 h SER 116 Ca 0.13 -0.46 0.15 0.00 -0.47 0.00 0.00 61.79 61.15 3a17 h SER 116 Cb 0.50 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 62.38 3a17 h SER 116 CO 0.03 0.80 0.50 -0.25 -0.87 0.00 0.00 176.83 177.03 3a17 h TRP 117 N 0.06 0.88 -0.00 4.77 7.01 -1.56 -0.43 115.95 126.68 3a17 h TRP 117 Ca 0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 3a17 h TRP 117 Cb 0.66 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.47 3a17 h TRP 117 CO 0.08 0.23 -0.01 2.35 -2.79 0.00 0.00 178.44 178.30 3a17 h TRP 118 N 0.71 0.01 0.00 2.65 2.91 -1.26 -3.31 115.95 117.65 3a17 h TRP 118 Ca 0.49 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.51 3a17 h TRP 118 Cb 0.68 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 3a17 h TRP 118 CO -0.06 0.74 0.00 0.39 -1.03 0.00 0.00 178.44 178.48 3a17 n GLU 119 N -4.73 0.22 -1.46 2.65 1.02 0.07 -4.86 120.64 113.55 3a17 n GLU 119 Ca -0.09 0.36 -0.39 0.00 -0.02 0.00 0.00 57.16 57.02 3a17 n GLU 119 Cb 0.36 -1.86 0.03 0.00 -0.02 0.00 0.00 31.44 29.96 3a17 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a17 n SER 120 N -2.26 -0.99 0.20 1.62 2.88 -0.18 -4.92 113.62 109.96 3a17 n SER 120 Ca 0.03 0.78 0.06 0.00 -1.33 0.00 0.00 58.87 58.41 3a17 n SER 120 Cb 0.30 -1.16 0.43 0.00 -0.75 0.00 0.00 64.21 63.03 3a17 n SER 120 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3a17 h GLU 121 N 0.40 0.00 -0.76 -1.46 3.07 -1.90 -3.24 114.58 110.69 3a17 h GLU 121 Ca -0.44 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.53 3a17 h GLU 121 Cb 1.40 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.23 3a17 h GLU 121 CO 0.48 0.32 0.36 -0.44 -1.40 0.00 0.00 179.01 178.33 3a17 h ASP 122 N 0.00 0.44 -0.55 1.42 3.32 -1.93 0.30 116.42 119.41 3a17 h ASP 122 Ca -0.00 0.08 0.16 0.00 0.02 0.00 0.00 57.03 57.29 3a17 h ASP 122 Cb 0.67 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 3a17 h ASP 122 CO 0.04 0.22 0.49 0.03 -1.72 0.00 0.00 179.24 178.30 3a17 h ARG 123 N 0.57 0.00 -0.00 3.56 2.47 -1.87 0.95 114.38 120.06 3a17 h ARG 123 Ca 0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 3a17 h ARG 123 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3a17 h ARG 123 CO -0.32 0.00 -0.30 1.28 0.56 0.00 0.00 179.97 181.19 3a17 n LEU 124 N -3.95 0.51 0.00 3.04 4.77 0.08 -4.21 117.00 117.24 3a17 n LEU 124 Ca 0.11 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3a17 n LEU 124 Cb 0.71 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3a17 n LEU 124 CO 0.32 0.11 0.29 -1.54 -1.33 0.00 0.00 177.39 175.24 3a17 n SER 125 N -1.24 0.86 0.19 -1.43 3.41 0.26 -4.74 113.62 110.94 3a17 n SER 125 Ca 0.09 -1.34 0.05 0.00 -0.26 0.00 0.00 58.87 57.41 3a17 n SER 125 Cb 0.33 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.62 3a17 n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3a17 h ASP 126 N 0.00 0.00 0.00 4.04 5.19 0.15 -3.47 116.42 122.33 3a17 h ASP 126 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3a17 h ASP 126 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 3a17 h ASP 126 CO 0.00 0.37 0.00 0.61 -3.12 0.00 0.00 179.24 177.10 3a17 n GLY 127 N 0.18 1.34 3.91 2.75 0.00 -1.26 -5.06 105.19 107.05 3a17 n GLY 127 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3a17 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a17 s LEU 128 N 0.00 4.26 0.08 0.99 1.43 -1.26 -4.93 118.68 119.24 3a17 s LEU 128 Ca 0.00 0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 53.41 3a17 s LEU 128 Cb 0.00 -3.27 -0.07 0.00 0.03 0.00 0.00 46.19 42.89 3a17 s LEU 128 CO 0.00 0.03 0.67 -0.83 0.23 0.00 0.00 176.35 176.46 3a17 s GLY 129 N -2.60 2.75 0.04 -3.19 0.00 0.13 -4.77 107.32 99.68 3a17 s GLY 129 Ca 0.40 0.17 0.08 0.00 0.00 0.00 0.00 44.72 45.38 3a17 s GLY 129 CO 0.26 0.76 -0.23 -1.36 0.00 0.00 0.00 173.10 172.52 3a17 s PHE 130 N -0.73 2.06 0.05 1.90 0.40 0.48 0.27 117.98 122.41 3a17 s PHE 130 Ca 0.33 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 56.19 3a17 s PHE 130 Cb -0.20 -1.24 -0.00 0.00 0.51 0.00 0.00 43.02 42.08 3a17 s PHE 130 CO 0.21 0.09 0.16 -0.59 0.70 0.00 0.00 175.22 175.79 3a17 s PHE 131 N -0.77 0.14 -0.06 0.36 -0.12 -0.85 0.79 117.98 117.47 3a17 s PHE 131 Ca 0.09 -0.45 -0.01 0.00 -0.05 0.00 0.00 56.93 56.51 3a17 s PHE 131 Cb -0.09 -0.09 0.03 0.00 -0.63 0.00 0.00 43.02 42.24 3a17 s PHE 131 CO 0.02 -0.44 0.02 -0.98 -0.05 0.00 0.00 175.22 173.79 3a17 s ARG 132 N -2.95 0.36 -0.43 1.99 1.70 0.40 -0.40 118.95 119.62 3a17 s ARG 132 Ca -0.02 0.20 0.01 0.00 -0.47 0.00 0.00 55.73 55.45 3a17 s ARG 132 Cb 0.01 -0.78 0.12 0.00 -0.57 0.00 0.00 34.95 33.72 3a17 s ARG 132 CO -0.06 -0.30 0.19 -1.21 -1.08 0.00 0.00 175.30 172.84 3a17 s GLU 133 N 1.96 1.86 -0.20 3.89 2.02 0.78 -1.08 118.70 127.94 3a17 s GLU 133 Ca 0.04 -2.12 -0.02 0.00 0.02 0.00 0.00 54.97 52.89 3a17 s GLU 133 Cb -0.12 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.72 3a17 s GLU 133 CO -0.04 -1.04 -0.11 0.42 0.02 0.00 0.00 175.26 174.51 3a17 s ILE 134 N 0.56 2.85 0.04 -1.63 1.01 0.43 -1.20 121.20 123.25 3a17 s ILE 134 Ca 0.12 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.15 3a17 s ILE 134 Cb -0.22 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 3a17 s ILE 134 CO -0.05 0.47 -0.15 0.68 0.00 0.00 0.00 174.94 175.90 3a17 s VAL 135 N 1.40 1.16 -0.48 2.92 -7.23 -0.29 -0.63 120.40 117.25 3a17 s VAL 135 Ca 0.05 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.27 3a17 s VAL 135 Cb -0.14 -1.05 0.17 0.00 0.56 0.00 0.00 36.38 35.92 3a17 s VAL 135 CO -0.07 0.04 0.37 0.00 -0.31 0.00 0.00 175.10 175.13 3a17 s ALA 136 N -0.81 2.02 0.24 1.32 0.00 -0.50 0.03 121.76 124.06 3a17 s ALA 136 Ca 0.02 -2.78 -0.30 0.00 0.00 0.00 0.00 51.96 48.90 3a17 s ALA 136 Cb -0.08 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.20 3a17 s ALA 136 CO 0.01 -2.01 0.99 -1.25 0.00 0.00 0.00 175.76 173.50 3a17 s PRO 137 N -0.26 4.78 0.92 0.00 0.04 -1.22 -4.82 135.00 134.44 3a17 s PRO 137 Ca 0.29 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 3a17 s PRO 137 Cb -0.01 -3.26 0.14 0.00 0.04 0.00 0.00 34.50 31.41 3a17 s PRO 137 CO -0.17 0.40 1.09 1.03 0.04 0.00 0.00 177.00 179.39 3a17 s ARG 138 N -1.16 1.06 0.52 4.56 0.52 -1.26 -1.86 118.95 121.33 3a17 s ARG 138 Ca 0.43 1.04 0.27 0.00 -0.52 0.00 0.00 55.73 56.95 3a17 s ARG 138 Cb -0.28 -1.77 1.39 0.00 0.52 0.00 0.00 34.95 34.81 3a17 s ARG 138 CO 0.34 -2.44 1.91 0.00 0.02 0.00 0.00 175.30 175.14 3a17 h ALA 139 N -1.70 2.64 -0.00 2.13 0.00 -0.57 0.95 119.26 122.71 3a17 h ALA 139 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3a17 h ALA 139 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3a17 h ALA 139 CO 0.51 -0.87 -0.17 -0.85 0.00 0.00 0.00 179.25 177.86 3a17 n GLU 140 N -4.34 0.41 -0.44 0.00 0.28 -1.26 -3.83 120.64 111.45 3a17 n GLU 140 Ca 0.16 -0.15 0.08 0.00 -0.16 0.00 0.00 57.16 57.09 3a17 n GLU 140 Cb 0.82 -1.50 0.26 0.00 1.43 0.00 0.00 31.44 32.45 3a17 n GLU 140 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3a17 n GLN 141 N -1.17 3.18 -3.81 3.44 6.02 0.33 -1.61 117.38 123.75 3a17 n GLN 141 Ca 0.11 -2.70 -0.11 0.00 -0.01 0.00 0.00 57.00 54.29 3a17 n GLN 141 Cb 0.30 -1.76 -0.08 0.00 1.02 0.00 0.00 30.24 29.73 3a17 n GLN 141 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3a17 s PHE 142 N -2.31 -0.01 0.05 1.08 -0.71 -1.23 -1.49 117.98 113.36 3a17 s PHE 142 Ca 0.40 -0.18 0.02 0.00 -1.04 0.00 0.00 56.93 56.13 3a17 s PHE 142 Cb 0.30 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 42.10 3a17 s PHE 142 CO 0.13 -0.45 -0.07 -1.83 -1.34 0.00 0.00 175.22 171.66 3a17 s GLU 143 N -2.51 0.57 0.03 1.99 4.04 -0.37 -4.61 118.70 117.83 3a17 s GLU 143 Ca -0.05 -0.87 0.06 0.00 0.04 0.00 0.00 54.97 54.14 3a17 s GLU 143 Cb -0.01 -0.21 -0.02 0.00 0.02 0.00 0.00 34.13 33.91 3a17 s GLU 143 CO -0.03 0.02 -0.18 0.95 -1.84 0.00 0.00 175.26 174.18 3a17 s THR 144 N -1.94 1.40 -0.03 1.83 -4.23 -1.26 -1.04 115.64 110.37 3a17 s THR 144 Ca -0.06 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3a17 s THR 144 Cb -0.06 -1.22 0.03 0.00 1.34 0.00 0.00 72.50 72.58 3a17 s THR 144 CO -0.01 0.16 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.00 3a17 s LEU 145 N -1.02 1.18 -0.04 4.79 2.96 -0.69 -4.46 118.68 121.39 3a17 s LEU 145 Ca 0.05 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3a17 s LEU 145 Cb -0.08 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.33 3a17 s LEU 145 CO 0.01 -0.09 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.51 3a17 s TYR 146 N 1.03 1.34 -0.27 5.38 2.02 0.15 -0.79 117.35 126.21 3a17 s TYR 146 Ca -0.10 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 3a17 s TYR 146 Cb -0.14 -0.94 0.35 0.00 -0.40 0.00 0.00 41.96 40.83 3a17 s TYR 146 CO -0.01 -0.16 1.61 0.00 -1.57 0.00 0.00 175.55 175.42 3a17 n ALA 147 N 3.35 4.44 -3.78 3.71 0.00 -0.46 -0.45 120.51 127.32 3a17 n ALA 147 Ca -0.19 -1.67 -0.02 0.00 0.00 0.00 0.00 53.44 51.55 3a17 n ALA 147 Cb 0.53 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 3a17 n ALA 147 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3a17 s PHE 148 N -1.89 -0.04 0.00 0.00 -0.71 -1.26 -4.78 117.98 109.30 3a17 s PHE 148 Ca 0.33 -0.26 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 3a17 s PHE 148 Cb 0.27 0.64 0.00 0.00 -1.21 0.00 0.00 43.02 42.72 3a17 s PHE 148 CO 0.05 -0.76 0.00 1.04 -1.34 0.00 0.00 175.22 174.20 3a17 n GLN 149 N -0.56 3.59 -4.72 1.99 6.02 -1.26 -4.60 117.38 117.84 3a17 n GLN 149 Ca -0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.63 3a17 n GLN 149 Cb 0.61 -0.68 -0.13 0.00 1.02 0.00 0.00 30.24 31.06 3a17 n GLN 149 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3a17 s GLU 150 N -1.29 2.05 -1.10 -1.09 1.03 -1.26 -4.75 118.70 112.29 3a17 s GLU 150 Ca 0.00 -0.98 -0.16 0.00 0.03 0.00 0.00 54.97 53.85 3a17 s GLU 150 Cb 0.00 -2.16 -0.03 0.00 -0.80 0.00 0.00 34.13 31.14 3a17 s GLU 150 CO 0.00 0.54 0.83 -0.25 -1.33 0.00 0.00 175.26 175.05 3a17 n ASP 151 N 1.64 -5.76 -4.69 0.83 8.00 -1.26 -4.86 116.55 110.45 3a17 n ASP 151 Ca -0.16 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.00 3a17 n ASP 151 Cb 0.52 -3.89 -0.03 0.00 -0.02 0.00 0.00 41.12 37.70 3a17 n ASP 151 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a17 s LEU 152 N -6.10 4.37 0.96 0.64 1.43 -1.26 -5.01 118.68 113.71 3a17 s LEU 152 Ca 0.46 2.50 -0.16 0.00 -1.03 0.00 0.00 54.13 55.90 3a17 s LEU 152 Cb -0.14 -3.56 0.19 0.00 0.03 0.00 0.00 46.19 42.72 3a17 s LEU 152 CO 0.83 -0.91 1.28 -2.16 0.23 0.00 0.00 176.35 175.63 3a17 s PRO 153 N 2.79 0.64 5.38 1.29 0.04 -1.26 -2.91 135.00 140.96 3a17 s PRO 153 Ca 0.75 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.48 3a17 s PRO 153 Cb -0.40 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3a17 s PRO 153 CO 0.33 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.35 3a17 n GLY 154 N -3.44 2.36 0.25 0.56 0.00 -1.26 -2.56 105.19 101.10 3a17 n GLY 154 Ca 0.14 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.83 3a17 n GLY 154 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a17 h VAL 155 N 0.00 0.44 -0.13 1.61 3.04 -1.98 -2.53 116.25 116.70 3a17 h VAL 155 Ca 0.00 -0.76 0.04 0.00 -1.01 0.00 0.00 66.70 64.97 3a17 h VAL 155 Cb 0.00 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 3a17 h VAL 155 CO 0.00 0.14 0.12 1.23 -1.01 0.00 0.00 177.57 178.05 3a17 h GLY 156 N 1.54 0.00 2.00 3.17 0.00 -1.77 -1.48 103.07 106.52 3a17 h GLY 156 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3a17 h GLY 156 CO 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.40 3a17 h ALA 157 N 1.88 1.28 -0.36 3.60 0.00 -1.32 -2.98 119.26 121.37 3a17 h ALA 157 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3a17 h ALA 157 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3a17 h ALA 157 CO -0.00 0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.78 3a17 n VAL 158 N -3.69 0.60 -2.67 0.00 0.24 -0.56 -4.93 118.33 107.32 3a17 n VAL 158 Ca -0.02 -0.80 -0.21 0.00 -2.04 0.00 0.00 64.34 61.27 3a17 n VAL 158 Cb 0.28 0.85 0.06 0.00 -1.47 0.00 0.00 33.84 33.56 3a17 n VAL 158 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3a17 s MET 159 N -1.22 2.29 0.00 7.34 -1.94 -1.13 -4.94 119.30 119.71 3a17 s MET 159 Ca 0.32 -0.97 -0.23 0.00 -1.71 0.00 0.00 55.69 53.11 3a17 s MET 159 Cb 0.18 -2.47 -0.18 0.00 2.01 0.00 0.00 34.83 34.37 3a17 s MET 159 CO 0.25 -0.91 1.23 -0.44 -0.01 0.00 0.00 175.02 175.14 3a17 h ASP 160 N -0.06 0.26 0.00 3.03 3.32 -1.06 -3.49 116.42 118.43 3a17 h ASP 160 Ca -0.39 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.08 3a17 h ASP 160 Cb 1.29 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3a17 h ASP 160 CO 0.48 0.79 0.00 0.61 -1.72 0.00 0.00 179.24 179.39 3a17 n GLY 161 N 0.47 1.26 3.74 2.75 0.00 -1.03 -5.01 105.19 107.36 3a17 n GLY 161 Ca -0.08 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 3a17 n GLY 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a17 s ILE 162 N -1.96 4.51 0.87 -0.61 1.10 -1.26 -0.07 121.20 123.78 3a17 s ILE 162 Ca 0.00 -0.43 -0.13 0.00 -0.51 0.00 0.00 60.65 59.58 3a17 s ILE 162 Cb 0.00 -3.02 0.15 0.00 0.15 0.00 0.00 42.46 39.73 3a17 s ILE 162 CO 0.00 0.40 1.22 -0.94 -2.11 0.00 0.00 174.94 173.51 3a17 s SER 163 N -1.54 3.78 1.01 4.50 1.04 -0.59 -4.83 113.70 117.07 3a17 s SER 163 Ca 0.20 0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.97 3a17 s SER 163 Cb -0.12 -0.63 0.05 0.00 0.10 0.00 0.00 66.02 65.42 3a17 s SER 163 CO 0.11 -2.31 0.29 0.61 0.98 0.00 0.00 173.24 172.92 3a17 n GLY 164 N -3.47 -1.36 3.67 7.32 0.00 -1.26 -4.71 105.19 105.37 3a17 n GLY 164 Ca 0.12 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 3a17 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a17 s GLU 165 N -3.64 4.14 0.30 1.61 2.02 -1.26 -4.53 118.70 117.35 3a17 s GLU 165 Ca 0.17 2.60 -0.02 0.00 0.02 0.00 0.00 54.97 57.73 3a17 s GLU 165 Cb -0.01 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 3a17 s GLU 165 CO 0.12 -0.92 0.54 0.96 0.02 0.00 0.00 175.26 175.98 3a17 s ILE 166 N 3.88 5.08 -0.12 -1.63 -4.36 -0.84 -3.53 121.20 119.67 3a17 s ILE 166 Ca 0.86 -0.18 -0.24 0.00 -0.26 0.00 0.00 60.65 60.82 3a17 s ILE 166 Cb -0.44 -3.78 -0.26 0.00 1.25 0.00 0.00 42.46 39.23 3a17 s ILE 166 CO 0.40 -0.41 0.68 -1.13 0.24 0.00 0.00 174.94 174.72 3a17 h ASN 167 N 1.34 0.17 0.00 4.36 -0.73 -1.55 -3.43 115.58 115.73 3a17 h ASN 167 Ca -0.48 -0.89 -0.69 0.00 1.87 0.00 0.00 56.30 56.11 3a17 h ASN 167 Cb 1.20 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.71 3a17 h ASN 167 CO 0.65 1.27 3.24 -0.62 -0.37 0.00 0.00 177.43 181.59 3a17 n GLU 168 N -4.36 2.94 -3.85 6.67 4.71 -1.26 -4.48 120.64 121.01 3a17 n GLU 168 Ca -0.17 -2.45 -0.08 0.00 -0.01 0.00 0.00 57.16 54.45 3a17 n GLU 168 Cb 0.66 -3.15 -0.03 0.00 -1.01 0.00 0.00 31.44 27.91 3a17 n GLU 168 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 3a17 s HIS 169 N 3.09 -0.09 0.00 -0.32 -3.43 -1.26 -4.65 115.29 108.63 3a17 s HIS 169 Ca 0.52 -0.33 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 3a17 s HIS 169 Cb 0.15 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.86 3a17 s HIS 169 CO -0.07 -1.14 0.00 0.41 -2.00 0.00 0.00 174.74 171.94 3a17 n GLY 170 N -0.43 0.76 3.14 -1.38 0.00 -1.26 -4.69 105.19 101.33 3a17 n GLY 170 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 3a17 n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a17 s TYR 171 N -2.17 0.35 -0.06 1.61 1.13 -1.26 -4.90 117.35 112.06 3a17 s TYR 171 Ca 0.00 -0.84 -0.30 0.00 -1.41 0.00 0.00 57.07 54.52 3a17 s TYR 171 Cb 0.00 -0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 40.58 3a17 s TYR 171 CO 0.00 -0.44 1.25 -1.58 -2.51 0.00 0.00 175.55 172.27 3a17 s TRP 172 N -3.81 3.06 0.00 -3.49 0.52 -1.26 -2.18 118.94 111.78 3a17 s TRP 172 Ca 0.05 1.09 0.00 0.00 0.02 0.00 0.00 56.10 57.27 3a17 s TRP 172 Cb 0.06 -3.49 0.00 0.00 -1.15 0.00 0.00 33.47 28.89 3a17 s TRP 172 CO -0.10 -1.62 0.00 0.41 0.02 0.00 0.00 176.95 175.66 3a17 n GLY 173 N 3.46 1.32 0.23 0.98 0.00 -1.26 -4.98 105.19 104.95 3a17 n GLY 173 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3a17 n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a17 h SER 174 N 0.00 0.70 -0.12 1.61 4.64 -1.75 -2.98 113.55 115.65 3a17 h SER 174 Ca 0.00 -0.33 0.04 0.00 -0.47 0.00 0.00 61.79 61.04 3a17 h SER 174 Cb 0.00 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 61.84 3a17 h SER 174 CO 0.00 1.04 -0.23 -0.03 -0.87 0.00 0.00 176.83 176.74 3a17 h MET 175 N 0.53 -0.29 -0.58 4.77 -1.53 -1.82 -2.15 114.93 113.85 3a17 h MET 175 Ca 0.04 0.02 0.11 0.00 -3.44 0.00 0.00 59.70 56.42 3a17 h MET 175 Cb 0.97 0.07 -0.08 0.00 -0.55 0.00 0.00 31.60 32.01 3a17 h MET 175 CO 0.09 -0.19 0.13 -0.09 0.14 0.00 0.00 176.91 176.98 3a17 h ARG 176 N -0.30 0.25 0.00 0.39 2.43 -1.95 -1.70 114.38 113.51 3a17 h ARG 176 Ca 0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3a17 h ARG 176 Cb 0.44 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3a17 h ARG 176 CO -0.29 0.17 0.00 0.93 -1.51 0.00 0.00 179.97 179.27 3a17 h GLU 177 N 0.26 0.00 0.00 0.20 5.08 -1.29 -1.42 114.58 117.41 3a17 h GLU 177 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3a17 h GLU 177 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3a17 h GLU 177 CO -0.38 0.00 -0.38 0.54 -1.00 0.00 0.00 179.01 177.79 3a17 n ARG 178 N -2.45 0.16 -2.40 2.33 1.74 -0.64 -4.69 116.66 110.70 3a17 n ARG 178 Ca 0.01 0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.73 3a17 n ARG 178 Cb 0.20 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.00 3a17 n ARG 178 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3a17 s PHE 179 N -3.08 2.73 0.32 -1.55 0.40 -0.53 -4.62 117.98 111.65 3a17 s PHE 179 Ca 0.10 0.92 0.06 0.00 -0.60 0.00 0.00 56.93 57.41 3a17 s PHE 179 Cb 0.15 -3.69 0.73 0.00 0.51 0.00 0.00 43.02 40.72 3a17 s PHE 179 CO 0.66 -1.80 1.84 -1.35 0.70 0.00 0.00 175.22 175.26 3a17 h PRO 180 N 8.77 0.77 0.00 0.24 0.11 -1.81 -1.71 132.00 138.38 3a17 h PRO 180 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3a17 h PRO 180 Cb 1.10 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3a17 h PRO 180 CO 1.00 0.51 0.00 0.97 -0.21 0.00 0.00 178.00 180.27 3a17 h ILE 181 N 0.80 0.00 0.00 4.15 2.10 -1.66 -2.53 117.51 120.37 3a17 h ILE 181 Ca 0.50 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 66.22 3a17 h ILE 181 Cb 0.71 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3a17 h ILE 181 CO -0.26 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.27 3a17 n SER 182 N -2.72 0.00 0.12 2.19 3.41 -0.64 -0.07 113.62 115.90 3a17 n SER 182 Ca -0.00 0.32 0.01 0.00 -0.26 0.00 0.00 58.87 58.94 3a17 n SER 182 Cb 0.17 -0.40 0.35 0.00 -0.26 0.00 0.00 64.21 64.07 3a17 n SER 182 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3a17 h GLN 183 N 0.00 0.22 0.00 4.33 4.20 -1.63 -3.36 115.11 118.86 3a17 h GLN 183 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3a17 h GLN 183 Cb 0.16 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3a17 h GLN 183 CO 0.00 0.43 -0.62 0.25 -0.67 0.00 0.00 178.83 178.22 3a17 n THR 184 N -4.21 0.00 -4.70 -0.54 -2.24 -0.61 -0.40 114.28 101.59 3a17 n THR 184 Ca -0.01 -0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.44 3a17 n THR 184 Cb 0.33 0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 68.95 3a17 n THR 184 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a17 s ASP 185 N -1.43 1.99 0.04 3.42 -1.08 0.90 -4.81 116.67 115.70 3a17 s ASP 185 Ca 0.00 -0.36 0.25 0.00 -0.52 0.00 0.00 52.55 51.92 3a17 s ASP 185 Cb 0.00 -0.20 1.02 0.00 -1.46 0.00 0.00 42.92 42.28 3a17 s ASP 185 CO 0.00 0.17 1.78 0.79 0.52 0.00 0.00 175.17 178.43 3a17 n TRP 186 N 2.42 0.15 -4.07 -5.34 7.02 -1.26 -4.13 117.44 112.22 3a17 n TRP 186 Ca -0.15 0.05 -0.32 0.00 -1.02 0.00 0.00 57.50 56.05 3a17 n TRP 186 Cb 0.54 -0.58 -0.01 0.00 -2.42 0.00 0.00 31.31 28.85 3a17 n TRP 186 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3a17 n MET 187 N -1.62 -3.81 -2.33 -0.99 2.81 -1.26 -4.90 117.12 105.01 3a17 n MET 187 Ca 0.06 0.44 -0.41 0.00 -1.81 0.00 0.00 57.70 55.98 3a17 n MET 187 Cb 0.30 -5.06 -0.03 0.00 -0.71 0.00 0.00 33.22 27.72 3a17 n MET 187 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3a17 s GLN 188 N -6.74 4.52 0.15 0.03 0.74 -1.26 -4.63 119.66 112.47 3a17 s GLN 188 Ca 0.52 1.96 -0.21 0.00 0.05 0.00 0.00 55.36 57.68 3a17 s GLN 188 Cb -0.28 -3.16 -0.08 0.00 1.10 0.00 0.00 33.01 30.60 3a17 s GLN 188 CO 0.89 0.02 0.68 0.00 -0.55 0.00 0.00 175.29 176.33 3a17 s ALA 189 N -0.92 3.49 0.08 1.58 0.00 -1.26 -4.63 121.76 120.11 3a17 s ALA 189 Ca 0.48 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.48 3a17 s ALA 189 Cb -0.35 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.00 3a17 s ALA 189 CO 0.44 0.35 0.29 -1.54 0.00 0.00 0.00 175.76 175.30 3a17 s SER 190 N -1.31 -0.07 0.00 0.00 1.04 -1.23 -5.06 113.70 107.07 3a17 s SER 190 Ca 0.36 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.42 3a17 s SER 190 Cb -0.20 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3a17 s SER 190 CO 0.22 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3a17 n GLY 191 N 0.19 0.06 3.50 7.32 0.00 -1.26 -2.69 105.19 112.30 3a17 n GLY 191 Ca -0.17 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 3a17 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a17 s GLU 192 N -1.83 1.79 -0.30 1.61 8.01 -1.26 -4.93 118.70 121.78 3a17 s GLU 192 Ca 0.00 -1.47 -0.29 0.00 0.01 0.00 0.00 54.97 53.22 3a17 s GLU 192 Cb 0.00 -1.96 0.01 0.00 -4.31 0.00 0.00 34.13 27.87 3a17 s GLU 192 CO 0.00 0.40 1.17 -1.17 0.01 0.00 0.00 175.26 175.67 3a17 s LEU 193 N -2.94 3.93 -0.01 1.80 0.20 -1.26 -4.36 118.68 116.04 3a17 s LEU 193 Ca 0.24 1.16 0.02 0.00 0.69 0.00 0.00 54.13 56.24 3a17 s LEU 193 Cb -0.08 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 3a17 s LEU 193 CO 0.13 -0.94 -0.06 -0.13 -0.29 0.00 0.00 176.35 175.06 3a17 s ARG 194 N 3.83 0.61 0.21 1.98 0.52 -0.91 -1.67 118.95 123.51 3a17 s ARG 194 Ca 0.50 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 55.21 3a17 s ARG 194 Cb -0.15 -0.60 -0.09 0.00 0.52 0.00 0.00 34.95 34.64 3a17 s ARG 194 CO 0.18 0.09 1.33 0.08 0.02 0.00 0.00 175.30 177.00 3a17 s VAL 195 N 0.11 3.11 0.00 3.52 1.01 -0.79 0.31 120.40 127.67 3a17 s VAL 195 Ca -0.01 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.89 3a17 s VAL 195 Cb -0.06 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3a17 s VAL 195 CO -0.00 0.14 0.24 2.30 0.00 0.00 0.00 175.10 177.77 3a17 n ILE 196 N 2.61 0.00 -3.67 2.22 -5.35 -0.26 -4.86 119.36 110.04 3a17 n ILE 196 Ca 0.06 -0.47 -0.09 0.00 -0.27 0.00 0.00 62.75 61.98 3a17 n ILE 196 Cb 0.42 1.03 -0.09 0.00 -1.74 0.00 0.00 39.64 39.26 3a17 n ILE 196 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a17 s ALA 197 N -0.46 -1.43 0.00 -1.28 0.00 -1.17 -4.97 121.76 112.44 3a17 s ALA 197 Ca 0.00 1.92 0.00 0.00 0.00 0.00 0.00 51.96 53.88 3a17 s ALA 197 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.98 3a17 s ALA 197 CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3a17 n GLY 198 N 4.15 -1.98 2.84 0.00 0.00 -1.26 -0.97 105.19 107.96 3a17 n GLY 198 Ca -0.21 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 3a17 n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a17 s ASP 199 N -4.00 0.95 0.48 1.61 -1.08 -1.26 -4.94 116.67 108.42 3a17 s ASP 199 Ca 0.00 0.05 0.21 0.00 -0.52 0.00 0.00 52.55 52.30 3a17 s ASP 199 Cb 0.00 0.55 1.23 0.00 -1.46 0.00 0.00 42.92 43.25 3a17 s ASP 199 CO 0.00 -0.30 1.93 -0.65 0.52 0.00 0.00 175.17 176.67 3a17 h PRO 200 N 8.29 0.21 0.00 4.34 0.11 -1.92 -0.37 132.00 142.66 3a17 h PRO 200 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3a17 h PRO 200 Cb 1.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3a17 h PRO 200 CO 0.24 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 3a17 n ALA 201 N -2.59 2.06 0.27 -0.75 0.00 -1.26 -3.14 120.51 115.11 3a17 n ALA 201 Ca 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.52 3a17 n ALA 201 Cb 0.64 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 3a17 n ALA 201 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a17 n VAL 202 N -1.29 0.00 -4.13 0.00 0.31 -0.15 -5.09 118.33 107.98 3a17 n VAL 202 Ca 0.09 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3a17 n VAL 202 Cb 0.16 0.82 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 3a17 n VAL 202 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a17 n GLY 203 N 1.41 -1.23 7.00 2.92 0.00 -1.19 -5.05 105.19 109.06 3a17 n GLY 203 Ca 0.01 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3a17 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a17 n GLY 204 N 0.00 0.18 3.71 -0.02 0.00 -1.26 -4.69 105.19 103.11 3a17 n GLY 204 Ca 0.00 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 3a17 n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a17 s ARG 205 N 0.00 4.48 -0.04 1.61 0.52 -1.26 -1.19 118.95 123.08 3a17 s ARG 205 Ca 0.00 1.19 0.01 0.00 -0.52 0.00 0.00 55.73 56.42 3a17 s ARG 205 Cb 0.00 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 32.02 3a17 s ARG 205 CO 0.00 -0.05 -0.06 0.08 0.02 0.00 0.00 175.30 175.29 3a17 s VAL 206 N 1.10 0.62 -0.14 3.52 1.01 0.62 -4.30 120.40 122.84 3a17 s VAL 206 Ca 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 3a17 s VAL 206 Cb -0.19 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 3a17 s VAL 206 CO 0.22 0.23 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 3a17 s VAL 207 N 0.69 3.11 -0.12 2.92 1.01 -0.15 -0.93 120.40 126.93 3a17 s VAL 207 Ca -0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3a17 s VAL 207 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3a17 s VAL 207 CO 0.01 0.52 -0.06 -0.69 0.00 0.00 0.00 175.10 174.88 3a17 s VAL 208 N 0.43 3.75 -0.13 2.92 1.01 -0.43 -1.10 120.40 126.84 3a17 s VAL 208 Ca -0.09 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 3a17 s VAL 208 Cb -0.16 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 3a17 s VAL 208 CO 0.05 0.53 0.33 0.00 0.00 0.00 0.00 175.10 176.01 3a17 s ARG 209 N -0.05 4.19 0.97 2.72 1.70 0.15 -3.57 118.95 125.06 3a17 s ARG 209 Ca 0.01 0.18 -0.16 0.00 -0.47 0.00 0.00 55.73 55.29 3a17 s ARG 209 Cb -0.13 -3.39 0.20 0.00 -0.57 0.00 0.00 34.95 31.06 3a17 s ARG 209 CO 0.03 0.31 1.28 0.20 -1.08 0.00 0.00 175.30 176.04 3a17 s GLY 210 N 0.23 1.74 0.44 3.88 0.00 -1.26 -2.14 107.32 110.21 3a17 s GLY 210 Ca 0.19 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.84 3a17 s GLY 210 CO 0.06 -0.36 0.02 -2.38 0.00 0.00 0.00 173.10 170.45 3a17 s HIS 211 N -3.75 2.11 0.32 1.90 -3.43 -1.26 -4.77 115.29 106.41 3a17 s HIS 211 Ca 0.72 -0.88 -0.29 0.00 -0.80 0.00 0.00 55.06 53.81 3a17 s HIS 211 Cb -0.05 -1.59 -0.11 0.00 -1.43 0.00 0.00 32.58 29.40 3a17 s HIS 211 CO 0.53 0.23 1.47 -0.51 -2.00 0.00 0.00 174.74 174.47 3a17 s ASP 212 N -3.74 6.48 -1.52 7.38 1.01 -1.10 -3.58 116.67 121.60 3a17 s ASP 212 Ca 0.22 2.89 -0.05 0.00 0.71 0.00 0.00 52.55 56.32 3a17 s ASP 212 Cb 0.06 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.35 3a17 s ASP 212 CO 0.11 -0.79 0.58 0.59 0.21 0.00 0.00 175.17 175.87 3a17 n ASN 213 N 1.33 -5.78 -4.75 0.27 3.02 0.77 -3.49 115.26 106.63 3a17 n ASN 213 Ca 0.04 -0.29 -0.38 0.00 -0.03 0.00 0.00 54.58 53.91 3a17 n ASN 213 Cb 0.39 -4.68 0.04 0.00 -0.61 0.00 0.00 39.78 34.92 3a17 n ASN 213 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3a17 s ILE 214 N -3.14 2.17 0.16 2.41 1.01 -1.24 -4.09 121.20 118.49 3a17 s ILE 214 Ca 0.31 0.12 0.09 0.00 0.00 0.00 0.00 60.65 61.18 3a17 s ILE 214 Cb -0.14 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 3a17 s ILE 214 CO 0.38 -0.01 -0.14 0.00 0.00 0.00 0.00 174.94 175.17 3a17 s ALA 215 N -1.34 2.80 -0.08 9.38 0.00 -0.39 -2.91 121.76 129.21 3a17 s ALA 215 Ca 0.73 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 3a17 s ALA 215 Cb -0.39 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.11 3a17 s ALA 215 CO 0.45 0.50 -0.02 -1.17 0.00 0.00 0.00 175.76 175.52 3a17 s LEU 216 N -2.58 0.80 -0.18 0.00 2.96 0.21 -0.76 118.68 119.13 3a17 s LEU 216 Ca 0.22 -0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3a17 s LEU 216 Cb -0.09 -0.55 -0.03 0.00 0.50 0.00 0.00 46.19 46.02 3a17 s LEU 216 CO 0.13 -0.16 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.47 3a17 s ILE 217 N 1.82 3.96 -0.32 6.68 2.07 -0.52 -0.93 121.20 133.96 3a17 s ILE 217 Ca 0.04 -0.32 -0.07 0.00 -1.41 0.00 0.00 60.65 58.88 3a17 s ILE 217 Cb -0.12 -2.76 0.02 0.00 0.13 0.00 0.00 42.46 39.73 3a17 s ILE 217 CO -0.06 0.46 0.11 -0.60 -1.91 0.00 0.00 174.94 172.95 3a17 s ARG 218 N 0.65 2.90 -0.19 3.50 3.52 0.26 -1.69 118.95 127.90 3a17 s ARG 218 Ca -0.01 -1.00 0.01 0.00 -0.13 0.00 0.00 55.73 54.60 3a17 s ARG 218 Cb -0.14 -3.47 0.02 0.00 -1.56 0.00 0.00 34.95 29.80 3a17 s ARG 218 CO 0.02 -0.56 -0.19 0.45 -0.81 0.00 0.00 175.30 174.21 3a17 s SER 219 N 1.48 3.26 0.29 -2.12 0.15 -0.93 -0.20 113.70 115.64 3a17 s SER 219 Ca 0.01 -0.70 0.11 0.00 0.70 0.00 0.00 55.95 56.07 3a17 s SER 219 Cb -0.18 -1.49 -0.05 0.00 -1.71 0.00 0.00 66.02 62.58 3a17 s SER 219 CO 0.03 -0.02 -0.17 -0.83 1.20 0.00 0.00 173.24 173.46 3a17 s GLY 220 N 1.28 1.93 -0.03 9.45 0.00 0.30 -0.23 107.32 120.01 3a17 s GLY 220 Ca 0.04 -1.92 -0.01 0.00 0.00 0.00 0.00 44.72 42.83 3a17 s GLY 220 CO -0.12 -1.97 0.04 1.20 0.00 0.00 0.00 173.10 172.25 3a17 s GLN 221 N -3.55 0.02 -0.22 2.90 1.11 0.76 -2.85 119.66 117.84 3a17 s GLN 221 Ca 0.30 0.26 -0.01 0.00 0.01 0.00 0.00 55.36 55.92 3a17 s GLN 221 Cb -0.03 -0.44 0.06 0.00 -1.01 0.00 0.00 33.01 31.59 3a17 s GLN 221 CO 0.15 -0.25 0.00 0.34 0.01 0.00 0.00 175.29 175.54 3a17 s ASP 222 N 1.63 3.36 -0.11 5.90 2.15 -0.02 -0.06 116.67 129.52 3a17 s ASP 222 Ca -0.02 -1.01 0.16 0.00 0.43 0.00 0.00 52.55 52.11 3a17 s ASP 222 Cb -0.13 -0.86 0.28 0.00 -0.30 0.00 0.00 42.92 41.92 3a17 s ASP 222 CO -0.03 -0.28 1.17 -2.67 -0.17 0.00 0.00 175.17 173.19 3a17 n TRP 223 N 4.88 0.15 0.20 -5.34 2.14 -0.61 -0.64 117.44 118.22 3a17 n TRP 223 Ca -0.10 -0.89 0.05 0.00 2.07 0.00 0.00 57.50 58.63 3a17 n TRP 223 Cb 0.46 -0.16 0.50 0.00 -0.81 0.00 0.00 31.31 31.30 3a17 n TRP 223 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3a17 h ALA 224 N 0.32 1.70 -0.22 -1.67 0.00 -1.79 -2.50 119.26 115.10 3a17 h ALA 224 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3a17 h ALA 224 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3a17 h ALA 224 CO 0.03 0.22 0.00 -0.25 0.00 0.00 0.00 179.25 179.25 3a17 n ASP 225 N -4.35 3.18 -4.75 0.00 8.00 -1.26 -5.00 116.55 112.37 3a17 n ASP 225 Ca -0.02 -1.96 -0.41 0.00 0.71 0.00 0.00 54.79 53.11 3a17 n ASP 225 Cb 0.22 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3a17 n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a17 s ALA 226 N -1.64 3.46 0.95 2.24 0.00 -0.94 -4.87 121.76 120.95 3a17 s ALA 226 Ca 0.32 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 3a17 s ALA 226 Cb 0.21 -3.41 0.16 0.00 0.00 0.00 0.00 23.12 20.07 3a17 s ALA 226 CO 0.30 -0.40 1.12 -1.21 0.00 0.00 0.00 175.76 175.57 3a17 s GLU 227 N -1.10 0.86 0.26 0.00 0.41 -1.26 -4.58 118.70 113.29 3a17 s GLU 227 Ca 0.49 0.34 -0.05 0.00 -0.41 0.00 0.00 54.97 55.35 3a17 s GLU 227 Cb -0.35 -1.80 0.52 0.00 -1.78 0.00 0.00 34.13 30.72 3a17 s GLU 227 CO 0.43 -2.40 1.62 0.00 -0.49 0.00 0.00 175.26 174.42 3a17 h ALA 228 N -1.65 0.89 -0.31 5.21 0.00 -1.98 0.50 119.26 121.92 3a17 h ALA 228 Ca -0.52 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3a17 h ALA 228 Cb 1.33 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 3a17 h ALA 228 CO 0.60 -0.45 -0.13 0.38 0.00 0.00 0.00 179.25 179.65 3a17 h ASP 229 N 0.09 0.65 0.59 0.00 2.03 -1.99 -1.37 116.42 116.42 3a17 h ASP 229 Ca 0.46 -0.40 -0.20 0.00 -0.73 0.00 0.00 57.03 56.17 3a17 h ASP 229 Cb 0.86 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.17 3a17 h ASP 229 CO -0.74 0.90 -0.89 -0.08 -1.03 0.00 0.00 179.24 177.40 3a17 h GLU 230 N 0.40 0.20 -0.67 4.15 4.81 -1.77 0.42 114.58 122.11 3a17 h GLU 230 Ca 0.07 -0.22 0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3a17 h GLU 230 Cb 0.65 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 3a17 h GLU 230 CO 0.04 0.96 0.37 -0.09 -0.73 0.00 0.00 179.01 179.57 3a17 h ARG 231 N 0.11 0.67 -0.06 1.92 2.43 0.03 -1.94 114.38 117.53 3a17 h ARG 231 Ca -0.05 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.88 3a17 h ARG 231 Cb 1.53 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.94 3a17 h ARG 231 CO 0.14 0.44 -0.75 1.03 -1.51 0.00 0.00 179.97 179.32 3a17 h SER 232 N 0.69 0.77 -0.48 -3.80 0.87 -1.02 -1.03 113.55 109.56 3a17 h SER 232 Ca 0.30 -0.69 0.09 0.00 -1.23 0.00 0.00 61.79 60.26 3a17 h SER 232 Cb 0.18 -0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 61.81 3a17 h SER 232 CO -0.18 1.35 -0.26 0.25 -0.53 0.00 0.00 176.83 177.45 3a17 h LEU 233 N 0.26 -0.90 0.08 2.23 5.85 -0.82 0.36 115.31 122.37 3a17 h LEU 233 Ca -0.08 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3a17 h LEU 233 Cb 1.41 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.90 3a17 h LEU 233 CO 0.15 -0.28 -0.04 0.22 -0.34 0.00 0.00 178.44 178.15 3a17 h TYR 234 N -0.16 -0.10 -0.07 1.25 3.20 -1.36 -1.70 116.97 118.02 3a17 h TYR 234 Ca 0.21 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.89 3a17 h TYR 234 Cb 0.50 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 3a17 h TYR 234 CO -0.53 0.39 -0.75 -0.07 -1.64 0.00 0.00 178.16 175.57 3a17 h LEU 235 N -0.67 0.49 0.00 2.82 3.38 -1.12 0.35 115.31 120.57 3a17 h LEU 235 Ca -0.01 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 3a17 h LEU 235 Cb 0.54 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3a17 h LEU 235 CO 0.02 1.08 -1.86 0.47 0.09 0.00 0.00 178.44 178.24 3a17 n ASP 236 N -3.83 0.22 -0.05 -0.43 8.00 0.13 -4.36 116.55 116.23 3a17 n ASP 236 Ca -0.05 0.09 -0.09 0.00 0.71 0.00 0.00 54.79 55.46 3a17 n ASP 236 Cb 0.72 1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 43.16 3a17 n ASP 236 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a17 n GLU 237 N -2.48 0.21 -0.07 -1.24 1.02 -0.87 -4.71 120.64 112.50 3a17 n GLU 237 Ca -0.09 0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 3a17 n GLU 237 Cb 0.71 -0.95 -0.10 0.00 -0.02 0.00 0.00 31.44 31.07 3a17 n GLU 237 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3a17 h ILE 238 N -0.23 1.33 -0.48 -3.67 2.04 -1.02 -3.40 117.51 112.08 3a17 h ILE 238 Ca -0.23 -2.06 0.08 0.00 1.00 0.00 0.00 64.86 63.64 3a17 h ILE 238 Cb 1.25 2.58 -0.07 0.00 -0.74 0.00 0.00 36.82 39.84 3a17 h ILE 238 CO -0.11 0.45 0.09 0.25 0.00 0.00 0.00 178.15 178.83 3a17 h LEU 239 N -1.00 -0.00 -1.00 1.44 5.85 -0.52 -2.25 115.31 117.83 3a17 h LEU 239 Ca -0.05 0.08 0.21 0.00 0.84 0.00 0.00 57.88 58.97 3a17 h LEU 239 Cb 0.86 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.90 3a17 h LEU 239 CO -0.03 0.03 0.60 -0.65 -0.34 0.00 0.00 178.44 178.05 3a17 h PRO 240 N 0.23 0.67 -0.08 5.25 0.11 -1.77 0.96 132.00 137.37 3a17 h PRO 240 Ca 0.24 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 66.08 3a17 h PRO 240 Cb 0.31 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.28 3a17 h PRO 240 CO -0.31 0.44 -0.86 1.15 -0.21 0.00 0.00 178.00 178.21 3a17 h THR 241 N 0.69 1.31 -0.68 -1.15 2.02 -1.66 -2.22 112.91 111.22 3a17 h THR 241 Ca 0.60 -2.13 -0.02 0.00 0.77 0.00 0.00 66.41 65.63 3a17 h THR 241 Cb 1.02 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 69.56 3a17 h THR 241 CO -0.42 0.66 0.33 0.25 0.37 0.00 0.00 175.52 176.71 3a17 h LEU 242 N 0.42 0.88 -0.25 2.58 5.85 -0.38 -1.52 115.31 122.89 3a17 h LEU 242 Ca -0.07 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.55 3a17 h LEU 242 Cb 1.49 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 3a17 h LEU 242 CO 0.17 0.77 0.05 -0.61 -0.34 0.00 0.00 178.44 178.47 3a17 h GLN 243 N 0.94 0.14 -0.79 1.25 5.75 0.89 0.16 115.11 123.44 3a17 h GLN 243 Ca 0.23 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.77 3a17 h GLN 243 Cb 0.11 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 3a17 h GLN 243 CO -0.03 0.09 0.49 1.03 -2.65 0.00 0.00 178.83 177.77 3a17 h SER 244 N 0.14 0.80 -0.38 -0.69 0.87 -1.15 0.14 113.55 113.29 3a17 h SER 244 Ca 0.11 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3a17 h SER 244 Cb 0.11 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 3a17 h SER 244 CO -0.15 0.54 0.08 1.23 -0.53 0.00 0.00 176.83 178.00 3a17 h GLY 245 N 0.94 0.67 1.04 5.77 0.00 -0.71 -1.53 103.07 109.25 3a17 h GLY 245 Ca 0.33 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 3a17 h GLY 245 CO -0.13 0.40 0.38 -0.33 0.00 0.00 0.00 176.54 176.86 3a17 h MET 246 N 0.48 1.21 -0.70 4.80 2.07 -0.12 -1.94 114.93 120.73 3a17 h MET 246 Ca 0.12 -0.19 -0.04 0.00 -2.07 0.00 0.00 59.70 57.51 3a17 h MET 246 Cb 0.33 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 29.82 3a17 h MET 246 CO 0.00 0.95 0.28 -0.44 1.07 0.00 0.00 176.91 178.77 3a17 h ASP 247 N 1.19 0.97 0.50 1.22 3.32 -0.54 -1.10 116.42 121.99 3a17 h ASP 247 Ca 0.28 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3a17 h ASP 247 Cb 0.15 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3a17 h ASP 247 CO -0.03 0.88 -0.31 0.15 -1.72 0.00 0.00 179.24 178.21 3a17 h PHE 248 N 1.00 -0.83 -0.83 4.55 3.57 -0.89 -0.31 116.94 123.21 3a17 h PHE 248 Ca 0.23 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.75 3a17 h PHE 248 Cb 0.22 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 3a17 h PHE 248 CO 0.02 -0.48 0.55 -0.07 -2.23 0.00 0.00 178.31 176.10 3a17 h LEU 249 N -0.78 0.90 -0.56 0.59 3.38 -1.28 0.54 115.31 118.11 3a17 h LEU 249 Ca -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3a17 h LEU 249 Cb 0.64 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3a17 h LEU 249 CO 0.06 0.63 0.17 -0.09 0.09 0.00 0.00 178.44 179.30 3a17 h ARG 250 N 1.05 0.87 -0.01 1.13 2.43 -0.93 -2.53 114.38 116.39 3a17 h ARG 250 Ca 0.33 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3a17 h ARG 250 Cb 0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3a17 h ARG 250 CO -0.09 0.79 -0.47 -0.25 -1.51 0.00 0.00 179.97 178.43 3a17 n ASP 251 N -4.44 1.84 -1.24 -3.80 8.00 -0.15 -4.36 116.55 112.41 3a17 n ASP 251 Ca 0.03 -1.42 0.04 0.00 0.71 0.00 0.00 54.79 54.15 3a17 n ASP 251 Cb 0.20 0.51 0.08 0.00 -0.02 0.00 0.00 41.12 41.90 3a17 n ASP 251 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a17 n ASN 252 N -0.15 1.30 -0.04 -2.24 3.02 0.18 -4.94 115.26 112.40 3a17 n ASN 252 Ca 0.08 -2.66 -0.13 0.00 -0.03 0.00 0.00 54.58 51.84 3a17 n ASN 252 Cb 0.42 -0.38 -0.09 0.00 -0.61 0.00 0.00 39.78 39.12 3a17 n ASN 252 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3a17 h GLY 253 N 1.05 -1.15 0.60 7.41 0.00 -1.62 -2.48 103.07 106.87 3a17 h GLY 253 Ca -0.14 0.70 0.15 0.00 0.00 0.00 0.00 47.33 48.04 3a17 h GLY 253 CO 0.08 -0.24 0.53 -2.55 0.00 0.00 0.00 176.54 174.36 3a17 h PRO 254 N -0.47 0.46 0.00 4.80 0.11 -1.89 -0.74 132.00 134.27 3a17 h PRO 254 Ca 0.04 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3a17 h PRO 254 Cb 0.57 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3a17 h PRO 254 CO -0.41 0.31 -0.11 0.00 -0.21 0.00 0.00 178.00 177.57 3a17 h ALA 255 N 1.63 1.23 0.00 -0.75 0.00 -1.81 -3.22 119.26 116.33 3a17 h ALA 255 Ca 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3a17 h ALA 255 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3a17 h ALA 255 CO -0.14 0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.57 3a17 n VAL 256 N -3.55 0.00 0.00 0.00 0.24 -0.85 -5.02 118.33 109.15 3a17 n VAL 256 Ca -0.02 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3a17 n VAL 256 Cb 0.25 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 3a17 n VAL 256 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a17 n GLY 257 N 0.53 1.18 3.38 7.63 0.00 -0.77 -4.75 105.19 112.39 3a17 n GLY 257 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3a17 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a17 h TYR 259 N 8.63 0.76 -1.93 0.00 0.05 -0.72 -3.35 116.97 120.40 3a17 h TYR 259 Ca -0.27 -0.09 0.06 0.00 0.05 0.00 0.00 58.73 58.48 3a17 h TYR 259 Cb 1.11 -0.22 -0.21 0.00 1.01 0.00 0.00 36.73 38.42 3a17 h TYR 259 CO 0.61 0.69 -0.01 0.45 -1.05 0.00 0.00 178.16 178.85 3a17 s SER 260 N -6.65 -0.99 -0.10 3.88 0.15 -1.19 -4.60 113.70 104.20 3a17 s SER 260 Ca -0.09 1.47 0.03 0.00 0.70 0.00 0.00 55.95 58.06 3a17 s SER 260 Cb 0.15 1.76 -0.01 0.00 -1.71 0.00 0.00 66.02 66.22 3a17 s SER 260 CO 0.79 -0.22 -0.21 0.21 1.20 0.00 0.00 173.24 175.01 3a17 s ASN 261 N 2.16 3.35 -0.03 5.45 2.47 -1.26 -0.84 114.94 126.24 3a17 s ASN 261 Ca -0.08 -0.48 0.03 0.00 0.42 0.00 0.00 52.86 52.74 3a17 s ASN 261 Cb -0.08 -1.39 0.00 0.00 -1.45 0.00 0.00 41.25 38.34 3a17 s ASN 261 CO -0.19 0.17 -0.11 -0.13 -3.72 0.00 0.00 177.10 173.12 3a17 s ARG 262 N 0.26 1.24 -0.32 0.43 0.52 -0.12 -4.70 118.95 116.26 3a17 s ARG 262 Ca -0.15 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 3a17 s ARG 262 Cb -0.17 -1.11 0.08 0.00 0.52 0.00 0.00 34.95 34.27 3a17 s ARG 262 CO 0.07 0.14 0.02 0.12 0.02 0.00 0.00 175.30 175.67 3a17 s PHE 263 N 0.21 3.50 0.18 -0.53 5.36 -1.26 -0.63 117.98 124.81 3a17 s PHE 263 Ca -0.04 -2.51 0.09 0.00 -0.96 0.00 0.00 56.93 53.51 3a17 s PHE 263 Cb -0.10 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 40.00 3a17 s PHE 263 CO 0.01 -0.91 -0.11 0.14 -1.46 0.00 0.00 175.22 172.90 3a17 s VAL 264 N 1.06 3.11 -0.07 3.12 -7.23 -0.11 -4.78 120.40 115.50 3a17 s VAL 264 Ca 0.02 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 3a17 s VAL 264 Cb -0.20 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 3a17 s VAL 264 CO -0.05 -0.12 -0.20 -0.60 -0.31 0.00 0.00 175.10 173.82 3a17 s ARG 265 N -2.83 2.69 0.44 4.82 3.52 -0.58 -1.70 118.95 125.31 3a17 s ARG 265 Ca 0.25 -0.80 -0.25 0.00 -0.13 0.00 0.00 55.73 54.79 3a17 s ARG 265 Cb -0.09 -2.31 -0.08 0.00 -1.56 0.00 0.00 34.95 30.91 3a17 s ARG 265 CO 0.15 0.42 1.30 -0.80 -0.81 0.00 0.00 175.30 175.56 3a17 s ASN 266 N -0.23 6.10 0.24 -2.12 -0.87 -0.07 -0.52 114.94 117.47 3a17 s ASN 266 Ca -0.00 2.65 0.08 0.00 -1.57 0.00 0.00 52.86 54.01 3a17 s ASN 266 Cb -0.13 -2.63 -0.05 0.00 -0.02 0.00 0.00 41.25 38.41 3a17 s ASN 266 CO 0.03 -0.99 -0.13 0.27 -2.57 0.00 0.00 177.10 173.71 3a17 s ILE 267 N -1.30 1.87 0.84 0.60 -4.36 0.13 -0.16 121.20 118.81 3a17 s ILE 267 Ca 0.60 -2.23 -0.06 0.00 -0.26 0.00 0.00 60.65 58.70 3a17 s ILE 267 Cb -0.38 -2.21 0.17 0.00 1.25 0.00 0.00 42.46 41.30 3a17 s ILE 267 CO 0.47 -0.47 1.14 1.51 0.24 0.00 0.00 174.94 177.84 3a17 s ASP 268 N -3.39 3.69 0.57 4.36 1.47 -0.38 -4.47 116.67 118.51 3a17 s ASP 268 Ca 0.26 -0.26 0.26 0.00 1.18 0.00 0.00 52.55 53.99 3a17 s ASP 268 Cb -0.00 0.10 1.58 0.00 -0.34 0.00 0.00 42.92 44.26 3a17 s ASP 268 CO 0.10 -2.32 2.12 -0.29 0.68 0.00 0.00 175.17 175.46 3a17 h ILE 269 N -1.02 0.61 -0.01 2.11 6.09 -1.98 -1.14 117.51 122.16 3a17 h ILE 269 Ca -0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 3a17 h ILE 269 Cb 1.24 0.88 0.00 0.00 0.47 0.00 0.00 36.82 39.41 3a17 h ILE 269 CO 0.35 0.00 -0.08 0.47 -3.07 0.00 0.00 178.15 175.82 3a17 n ASP 270 N -4.02 1.54 0.00 2.19 8.00 -1.26 -4.90 116.55 118.09 3a17 n ASP 270 Ca 0.01 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.11 3a17 n ASP 270 Cb 0.28 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 3a17 n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a17 n GLY 271 N 1.24 0.63 3.75 0.44 0.00 -0.43 -5.06 105.19 105.77 3a17 n GLY 271 Ca 0.17 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3a17 n GLY 271 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a17 s ASN 272 N -2.22 7.51 0.26 1.61 0.01 -1.26 -4.82 114.94 116.03 3a17 s ASN 272 Ca 0.00 2.06 -0.29 0.00 -0.71 0.00 0.00 52.86 53.92 3a17 s ASN 272 Cb 0.00 -2.62 -0.09 0.00 0.41 0.00 0.00 41.25 38.95 3a17 s ASN 272 CO 0.00 0.05 1.26 -0.36 -1.51 0.00 0.00 177.10 176.54 3a17 s PHE 273 N -1.17 3.26 0.31 2.20 0.08 -1.26 -1.25 117.98 120.14 3a17 s PHE 273 Ca 0.42 1.40 0.08 0.00 0.12 0.00 0.00 56.93 58.95 3a17 s PHE 273 Cb -0.28 -3.56 -0.03 0.00 -0.57 0.00 0.00 43.02 38.58 3a17 s PHE 273 CO 0.35 -1.57 0.19 -0.51 -0.10 0.00 0.00 175.22 173.58 3a17 s LEU 274 N -0.99 3.52 -0.39 -0.37 1.43 0.77 -4.89 118.68 117.76 3a17 s LEU 274 Ca 0.51 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 3a17 s LEU 274 Cb -0.37 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 43.83 3a17 s LEU 274 CO 0.44 -0.21 2.76 0.47 0.23 0.00 0.00 176.35 180.04 3a17 n ASP 275 N -1.21 6.34 -4.14 2.29 8.00 -1.26 -4.39 116.55 122.18 3a17 n ASP 275 Ca -0.04 -3.11 -0.17 0.00 0.71 0.00 0.00 54.79 52.17 3a17 n ASP 275 Cb 0.60 -1.23 -0.12 0.00 -0.02 0.00 0.00 41.12 40.34 3a17 n ASP 275 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a17 s LEU 276 N -1.90 2.25 0.15 0.64 1.02 -1.26 -1.58 118.68 118.00 3a17 s LEU 276 Ca 0.56 -0.56 -0.08 0.00 0.02 0.00 0.00 54.13 54.07 3a17 s LEU 276 Cb 0.36 -0.45 -0.01 0.00 0.02 0.00 0.00 46.19 46.10 3a17 s LEU 276 CO -0.17 -0.08 0.24 -0.94 0.02 0.00 0.00 176.35 175.42 3a17 s SER 277 N -1.55 0.09 0.26 2.29 1.04 0.91 -0.90 113.70 115.85 3a17 s SER 277 Ca -0.03 -0.90 -0.21 0.00 0.48 0.00 0.00 55.95 55.29 3a17 s SER 277 Cb -0.09 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.46 3a17 s SER 277 CO 0.02 -0.86 0.68 -0.72 0.98 0.00 0.00 173.24 173.35 3a17 s TYR 278 N -3.97 -0.19 -0.11 5.02 -0.85 -0.69 -0.17 117.35 116.39 3a17 s TYR 278 Ca 0.17 -0.24 -0.13 0.00 -0.52 0.00 0.00 57.07 56.36 3a17 s TYR 278 Cb 0.04 0.65 -0.05 0.00 0.38 0.00 0.00 41.96 42.98 3a17 s TYR 278 CO -0.01 -1.17 0.29 1.21 -1.52 0.00 0.00 175.55 174.35 3a17 s ASN 279 N -2.91 6.51 -0.35 -0.18 3.04 0.68 -0.94 114.94 120.80 3a17 s ASN 279 Ca 0.11 0.60 -0.02 0.00 0.04 0.00 0.00 52.86 53.59 3a17 s ASN 279 Cb -0.05 -2.17 0.08 0.00 -1.54 0.00 0.00 41.25 37.57 3a17 s ASN 279 CO 0.05 0.22 0.09 -0.63 -3.04 0.00 0.00 177.10 173.78 3a17 s ILE 280 N -0.22 3.03 -0.11 -5.21 1.01 0.20 -2.19 121.20 117.72 3a17 s ILE 280 Ca 0.18 -1.76 0.02 0.00 0.00 0.00 0.00 60.65 59.09 3a17 s ILE 280 Cb -0.14 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.42 3a17 s ILE 280 CO 0.06 -0.39 -0.18 -0.83 0.00 0.00 0.00 174.94 173.60 3a17 s GLY 281 N 1.44 1.11 -0.18 6.18 0.00 -0.68 -0.95 107.32 114.24 3a17 s GLY 281 Ca 0.02 -0.79 -0.10 0.00 0.00 0.00 0.00 44.72 43.85 3a17 s GLY 281 CO -0.03 0.07 0.14 0.30 0.00 0.00 0.00 173.10 173.58 3a17 s HIS 282 N 0.80 3.45 -0.01 1.90 3.76 -0.02 -1.44 115.29 123.74 3a17 s HIS 282 Ca -0.10 0.39 0.06 0.00 -0.15 0.00 0.00 55.06 55.26 3a17 s HIS 282 Cb -0.16 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 3a17 s HIS 282 CO 0.01 0.38 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.50 3a17 s TRP 283 N 0.07 1.75 0.53 1.40 0.52 0.06 -0.02 118.94 123.27 3a17 s TRP 283 Ca 0.10 -0.34 0.37 0.00 0.02 0.00 0.00 56.10 56.25 3a17 s TRP 283 Cb -0.11 -1.11 2.00 0.00 -1.15 0.00 0.00 33.47 33.09 3a17 s TRP 283 CO -0.00 -0.01 2.25 0.00 0.02 0.00 0.00 176.95 179.20 3a17 h ALA 284 N 5.53 1.17 -2.69 0.98 0.00 -1.11 -1.04 119.26 122.09 3a17 h ALA 284 Ca -0.39 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.56 3a17 h ALA 284 Cb 1.15 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 3a17 h ALA 284 CO 0.47 0.03 0.34 -1.54 0.00 0.00 0.00 179.25 178.55 3a17 s SER 285 N -5.62 -0.41 0.22 0.00 1.04 -1.26 -4.54 113.70 103.13 3a17 s SER 285 Ca -0.04 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.27 3a17 s SER 285 Cb 0.13 0.54 0.21 0.00 0.10 0.00 0.00 66.02 67.00 3a17 s SER 285 CO 0.49 -0.91 1.54 0.25 0.98 0.00 0.00 173.24 175.58 3a17 h LEU 286 N 2.00 0.32 -0.90 2.42 5.85 -1.82 -3.16 115.31 120.02 3a17 h LEU 286 Ca -0.27 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 3a17 h LEU 286 Cb 1.27 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3a17 h LEU 286 CO 0.32 0.86 -0.36 -2.24 -0.34 0.00 0.00 178.44 176.68 3a17 h ASP 287 N 0.21 0.00 -0.23 1.25 2.03 -1.95 0.17 116.42 117.90 3a17 h ASP 287 Ca -0.01 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.24 3a17 h ASP 287 Cb 1.13 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 3a17 h ASP 287 CO 0.10 0.36 -0.06 1.56 -1.03 0.00 0.00 179.24 180.17 3a17 h GLN 288 N 0.00 0.44 -0.83 4.15 4.20 -1.89 0.16 115.11 121.34 3a17 h GLN 288 Ca -0.00 -0.17 0.07 0.00 0.06 0.00 0.00 58.65 58.60 3a17 h GLN 288 Cb 0.91 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.60 3a17 h GLN 288 CO 0.05 0.68 0.51 1.25 -0.67 0.00 0.00 178.83 180.64 3a17 h LEU 289 N 0.17 0.78 -0.30 1.46 5.85 -1.43 0.03 115.31 121.87 3a17 h LEU 289 Ca 0.06 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3a17 h LEU 289 Cb 0.52 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3a17 h LEU 289 CO 0.02 0.49 0.13 -0.33 -0.34 0.00 0.00 178.44 178.42 3a17 h GLU 290 N 0.91 0.28 -0.88 1.25 5.08 -0.49 -2.55 114.58 118.18 3a17 h GLU 290 Ca 0.37 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 3a17 h GLU 290 Cb 0.20 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3a17 h GLU 290 CO -0.18 0.18 0.47 0.00 -1.00 0.00 0.00 179.01 178.48 3a17 h ARG 291 N 0.29 1.24 0.16 2.33 2.47 0.32 -2.51 114.38 118.69 3a17 h ARG 291 Ca 0.12 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3a17 h ARG 291 Cb 0.06 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.14 3a17 h ARG 291 CO -0.10 0.92 -0.08 2.35 0.56 0.00 0.00 179.97 183.62 3a17 h TRP 292 N 1.24 -0.20 0.00 3.04 7.01 -0.97 -2.46 115.95 123.61 3a17 h TRP 292 Ca 0.31 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.29 3a17 h TRP 292 Cb 0.05 0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 3a17 h TRP 292 CO 0.01 0.12 -0.08 0.66 -2.79 0.00 0.00 178.44 176.36 3a17 h SER 293 N -0.54 0.00 0.23 2.65 4.64 -1.37 -0.04 113.55 119.12 3a17 h SER 293 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3a17 h SER 293 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3a17 h SER 293 CO 0.04 0.08 -0.84 -1.84 -0.87 0.00 0.00 176.83 173.39 3a17 n GLU 294 N -4.23 0.05 0.00 4.77 0.28 -0.95 -4.41 120.64 116.15 3a17 n GLU 294 Ca -0.03 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 3a17 n GLU 294 Cb 0.16 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.52 3a17 n GLU 294 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3a17 n SER 295 N -1.57 4.45 -4.72 -1.84 3.41 -0.93 -4.99 113.62 107.43 3a17 n SER 295 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 3a17 n SER 295 Cb 0.35 0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 64.87 3a17 n SER 295 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3a17 s HIS 296 N -1.85 3.65 0.42 7.33 2.46 -0.07 -4.93 115.29 122.29 3a17 s HIS 296 Ca 0.00 1.63 0.14 0.00 0.47 0.00 0.00 55.06 57.30 3a17 s HIS 296 Cb 0.00 -3.19 1.01 0.00 -0.13 0.00 0.00 32.58 30.26 3a17 s HIS 296 CO 0.00 -0.33 1.92 -1.35 -2.47 0.00 0.00 174.74 172.51 3a17 h PRO 297 N 6.10 0.45 0.59 2.88 0.11 -1.96 -2.13 132.00 138.05 3a17 h PRO 297 Ca -0.42 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3a17 h PRO 297 Cb 1.21 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.23 3a17 h PRO 297 CO 0.75 0.30 -0.28 1.79 -0.21 0.00 0.00 178.00 180.34 3a17 h THR 298 N 0.47 0.25 -0.98 -1.15 1.35 -1.92 -0.72 112.91 110.21 3a17 h THR 298 Ca 0.37 -0.35 0.03 0.00 -0.55 0.00 0.00 66.41 65.91 3a17 h THR 298 Cb 0.78 0.34 -0.05 0.00 -1.73 0.00 0.00 68.15 67.48 3a17 h THR 298 CO -0.13 0.03 0.65 -0.74 -0.25 0.00 0.00 175.52 175.09 3a17 h HIS 299 N -1.06 1.22 -0.59 4.73 -0.00 -1.86 -2.62 115.15 114.97 3a17 h HIS 299 Ca -0.08 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.30 3a17 h HIS 299 Cb 0.66 -0.41 -0.03 0.00 -0.00 0.00 0.00 27.41 27.64 3a17 h HIS 299 CO 0.00 0.73 0.30 -0.07 -0.00 0.00 0.00 177.93 178.89 3a17 h LEU 300 N 1.28 0.73 -0.16 0.26 3.38 -1.24 0.24 115.31 119.80 3a17 h LEU 300 Ca 0.38 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3a17 h LEU 300 Cb -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3a17 h LEU 300 CO -0.10 0.61 0.03 -0.09 0.09 0.00 0.00 178.44 178.98 3a17 h ARG 301 N 0.82 0.26 -0.21 1.13 2.43 -0.77 -2.29 114.38 115.76 3a17 h ARG 301 Ca 0.21 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.16 3a17 h ARG 301 Cb 0.06 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3a17 h ARG 301 CO -0.03 0.43 -0.50 -0.84 -1.51 0.00 0.00 179.97 177.51 3a17 h ILE 302 N 0.05 1.31 -0.37 1.20 3.07 -1.22 -0.32 117.51 121.24 3a17 h ILE 302 Ca 0.05 -1.73 0.08 0.00 1.55 0.00 0.00 64.86 64.81 3a17 h ILE 302 Cb 0.29 1.70 -0.09 0.00 -0.27 0.00 0.00 36.82 38.45 3a17 h ILE 302 CO 0.00 0.54 -0.25 0.15 -1.05 0.00 0.00 178.15 177.54 3a17 h PHE 303 N 0.45 -0.66 -0.44 0.16 3.57 -0.99 0.62 116.94 119.65 3a17 h PHE 303 Ca 0.02 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 3a17 h PHE 303 Cb 1.04 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 3a17 h PHE 303 CO 0.04 -0.32 -0.24 1.79 -2.23 0.00 0.00 178.31 177.35 3a17 h THR 304 N -0.20 1.27 -0.54 4.41 1.35 -1.13 -1.94 112.91 116.14 3a17 h THR 304 Ca 0.18 -1.39 0.04 0.00 -0.55 0.00 0.00 66.41 64.69 3a17 h THR 304 Cb 0.48 1.18 -0.04 0.00 -1.73 0.00 0.00 68.15 68.03 3a17 h THR 304 CO -0.48 0.47 0.30 0.74 -0.25 0.00 0.00 175.52 176.30 3a17 h THR 305 N 0.79 0.99 -0.13 6.82 2.02 -0.77 -1.53 112.91 121.11 3a17 h THR 305 Ca 0.10 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.10 3a17 h THR 305 Cb 0.80 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3a17 h THR 305 CO 0.07 0.11 -0.00 0.15 0.37 0.00 0.00 175.52 176.21 3a17 h PHE 306 N 0.58 -0.01 -0.78 3.16 3.04 -0.57 0.10 116.94 122.45 3a17 h PHE 306 Ca 0.23 0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.35 3a17 h PHE 306 Cb 0.10 0.03 -0.10 0.00 2.56 0.00 0.00 35.95 38.53 3a17 h PHE 306 CO -0.08 -0.02 0.31 0.74 -2.02 0.00 0.00 178.31 177.23 3a17 h PHE 307 N 0.04 0.52 -0.33 0.41 -1.00 -1.06 0.22 116.94 115.73 3a17 h PHE 307 Ca 0.06 0.04 -0.11 0.00 2.81 0.00 0.00 57.97 60.76 3a17 h PHE 307 Cb 0.07 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 3a17 h PHE 307 CO -0.14 0.03 -0.26 -0.09 -1.61 0.00 0.00 178.31 176.23 3a17 h ARG 308 N 0.42 0.68 -0.01 1.51 1.12 -0.52 -3.35 114.38 114.24 3a17 h ARG 308 Ca 0.44 -0.28 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 3a17 h ARG 308 Cb 0.72 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.65 3a17 h ARG 308 CO -0.44 0.87 -0.09 0.28 -3.11 0.00 0.00 179.97 177.48 3a17 n VAL 309 N -4.10 0.00 -0.09 0.20 0.31 -0.05 -4.75 118.33 109.85 3a17 n VAL 309 Ca -0.00 -0.46 -0.06 0.00 -0.01 0.00 0.00 64.34 63.81 3a17 n VAL 309 Cb 0.44 1.16 0.01 0.00 -0.91 0.00 0.00 33.84 34.54 3a17 n VAL 309 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a17 h ALA 310 N 1.76 0.27 -0.17 3.52 0.00 -0.73 -2.18 119.26 121.73 3a17 h ALA 310 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3a17 h ALA 310 Cb 0.36 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3a17 h ALA 310 CO 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 179.25 178.94 3a17 h ALA 311 N 1.31 2.13 -0.01 0.00 0.00 -1.85 -2.44 119.26 118.40 3a17 h ALA 311 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3a17 h ALA 311 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3a17 h ALA 311 CO -0.30 -0.21 -0.32 0.41 0.00 0.00 0.00 179.25 178.83 3a17 n GLY 312 N -1.56 -0.30 3.71 0.00 0.00 -0.84 -4.92 105.19 101.28 3a17 n GLY 312 Ca 0.01 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 3a17 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a17 s LEU 313 N -2.46 4.37 -0.07 0.99 1.43 -0.92 -4.91 118.68 117.11 3a17 s LEU 313 Ca 0.23 2.32 -0.04 0.00 -1.03 0.00 0.00 54.13 55.61 3a17 s LEU 313 Cb 0.19 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 3a17 s LEU 313 CO 0.53 -0.67 -0.09 -1.54 0.23 0.00 0.00 176.35 174.80 3a17 n SER 314 N 4.10 0.57 -0.00 2.29 3.41 -1.26 -4.90 113.62 117.83 3a17 n SER 314 Ca 0.12 0.10 0.04 0.00 -0.26 0.00 0.00 58.87 58.87 3a17 n SER 314 Cb 0.42 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 3a17 n SER 314 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a17 n LYS 315 N -3.36 0.60 -2.09 4.33 4.76 -1.26 -4.97 118.16 116.18 3a17 n LYS 315 Ca -0.14 -0.07 -0.42 0.00 -2.87 0.00 0.00 58.31 54.81 3a17 n LYS 315 Cb 0.57 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.56 3a17 n LYS 315 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3a17 s LEU 316 N -3.49 4.34 -0.24 -0.35 2.96 -1.26 -4.63 118.68 116.01 3a17 s LEU 316 Ca -0.03 2.30 -0.00 0.00 -0.22 0.00 0.00 54.13 56.18 3a17 s LEU 316 Cb 0.05 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.21 3a17 s LEU 316 CO 0.35 -0.78 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.38 3a17 s ARG 317 N 2.34 2.71 0.03 1.98 0.52 0.19 -5.00 118.95 121.71 3a17 s ARG 317 Ca 0.68 -1.05 0.09 0.00 -0.52 0.00 0.00 55.73 54.92 3a17 s ARG 317 Cb -0.36 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 3a17 s ARG 317 CO 0.29 -0.42 -0.25 -0.51 0.02 0.00 0.00 175.30 174.43 3a17 s LEU 318 N 1.27 2.13 0.05 2.53 1.43 -1.26 -0.84 118.68 123.99 3a17 s LEU 318 Ca -0.01 -0.54 -0.27 0.00 -1.03 0.00 0.00 54.13 52.28 3a17 s LEU 318 Cb -0.17 -1.24 0.09 0.00 0.03 0.00 0.00 46.19 44.90 3a17 s LEU 318 CO -0.06 0.26 0.84 -0.72 0.23 0.00 0.00 176.35 176.90 3a17 s TYR 319 N -0.74 -0.35 0.19 0.29 1.13 -1.13 -1.35 117.35 115.38 3a17 s TYR 319 Ca 0.10 0.18 -0.02 0.00 -1.41 0.00 0.00 57.07 55.92 3a17 s TYR 319 Cb -0.10 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 3a17 s TYR 319 CO 0.01 -0.65 0.14 -3.38 -2.51 0.00 0.00 175.55 169.17 3a17 s HIS 320 N -3.27 1.01 -0.02 -3.49 -3.43 0.03 -0.54 115.29 105.58 3a17 s HIS 320 Ca 0.05 -1.28 0.01 0.00 -0.80 0.00 0.00 55.06 53.04 3a17 s HIS 320 Cb -0.01 -0.47 0.01 0.00 -1.43 0.00 0.00 32.58 30.67 3a17 s HIS 320 CO -0.08 -0.64 -0.04 -1.83 -2.00 0.00 0.00 174.74 170.15 3a17 s GLU 321 N -4.12 0.44 0.02 -0.38 -1.05 0.72 -1.70 118.70 112.64 3a17 s GLU 321 Ca 0.34 -0.11 0.03 0.00 -0.15 0.00 0.00 54.97 55.08 3a17 s GLU 321 Cb 0.06 -0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 33.27 3a17 s GLU 321 CO 0.09 0.03 -0.09 0.08 0.95 0.00 0.00 175.26 176.32 3a17 s VAL 322 N 0.27 0.73 0.04 1.83 1.01 -0.20 -0.57 120.40 123.51 3a17 s VAL 322 Ca -0.03 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3a17 s VAL 322 Cb -0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3a17 s VAL 322 CO -0.00 0.02 0.06 -0.44 0.00 0.00 0.00 175.10 174.74 3a17 s SER 323 N -0.71 0.26 0.07 3.32 0.01 -0.10 -1.24 113.70 115.31 3a17 s SER 323 Ca 0.00 -0.66 0.03 0.00 1.31 0.00 0.00 55.95 56.63 3a17 s SER 323 Cb -0.06 0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.36 3a17 s SER 323 CO 0.00 -0.53 -0.10 0.68 0.41 0.00 0.00 173.24 173.70 3a17 s VAL 324 N -2.95 0.80 -0.00 3.43 -7.23 -0.56 -0.62 120.40 113.28 3a17 s VAL 324 Ca -0.02 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 58.67 3a17 s VAL 324 Cb 0.01 -1.09 -0.00 0.00 0.56 0.00 0.00 36.38 35.86 3a17 s VAL 324 CO -0.06 -0.48 0.10 -0.36 -0.31 0.00 0.00 175.10 173.99 3a17 s PHE 325 N -2.01 0.04 0.71 2.82 0.40 -1.15 -4.55 117.98 114.25 3a17 s PHE 325 Ca -0.00 -0.11 -0.16 0.00 -0.60 0.00 0.00 56.93 56.06 3a17 s PHE 325 Cb -0.06 -0.05 0.03 0.00 0.51 0.00 0.00 43.02 43.44 3a17 s PHE 325 CO -0.00 -0.22 1.24 -0.51 0.70 0.00 0.00 175.22 176.43 3a17 s ASP 326 N -1.09 4.27 0.26 1.36 1.11 -1.26 -0.17 116.67 121.15 3a17 s ASP 326 Ca -0.12 2.46 -0.03 0.00 0.18 0.00 0.00 52.55 55.05 3a17 s ASP 326 Cb -0.07 -2.60 0.53 0.00 1.07 0.00 0.00 42.92 41.85 3a17 s ASP 326 CO 0.01 -2.22 1.70 0.00 1.18 0.00 0.00 175.17 175.84 3a17 h ALA 327 N -0.05 1.10 0.00 5.23 0.00 -1.86 -1.78 119.26 121.90 3a17 h ALA 327 Ca -0.49 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3a17 h ALA 327 Cb 1.31 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3a17 h ALA 327 CO 0.50 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3a17 h ALA 328 N 1.63 1.00 -0.62 0.00 0.00 -1.91 -3.02 119.26 116.33 3a17 h ALA 328 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.23 3a17 h ALA 328 Cb 0.78 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 3a17 h ALA 328 CO -0.50 0.00 0.17 -0.25 0.00 0.00 0.00 179.25 178.68 3a17 n ASP 329 N -2.50 4.73 -4.03 0.00 8.00 -0.67 -4.88 116.55 117.21 3a17 n ASP 329 Ca 0.02 -3.00 -0.20 0.00 0.71 0.00 0.00 54.79 52.32 3a17 n ASP 329 Cb 0.25 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.50 3a17 n ASP 329 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3a17 s GLN 330 N -2.66 0.92 -0.04 -1.24 -0.21 -1.14 -1.41 119.66 113.89 3a17 s GLN 330 Ca 0.49 -0.35 -0.01 0.00 0.02 0.00 0.00 55.36 55.50 3a17 s GLN 330 Cb 0.38 -0.87 0.03 0.00 1.00 0.00 0.00 33.01 33.55 3a17 s GLN 330 CO 0.13 0.18 0.04 -1.17 -2.12 0.00 0.00 175.29 172.35 3a17 s LEU 331 N -0.04 0.47 -0.27 2.90 0.20 0.20 -4.65 118.68 117.49 3a17 s LEU 331 Ca 0.01 0.05 -0.00 0.00 0.69 0.00 0.00 54.13 54.87 3a17 s LEU 331 Cb -0.06 -0.15 0.08 0.00 -0.43 0.00 0.00 46.19 45.63 3a17 s LEU 331 CO 0.00 -0.21 0.04 -0.31 -0.29 0.00 0.00 176.35 175.58 3a17 s TYR 332 N 1.82 1.99 -0.10 5.38 2.02 -1.23 -0.43 117.35 126.79 3a17 s TYR 332 Ca 0.01 -1.71 0.02 0.00 -0.37 0.00 0.00 57.07 55.02 3a17 s TYR 332 Cb -0.12 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 3a17 s TYR 332 CO -0.03 -0.80 -0.18 -2.00 -1.57 0.00 0.00 175.55 170.97 3a17 s GLU 333 N 1.53 3.07 -0.08 -0.62 2.12 -0.24 -1.31 118.70 123.17 3a17 s GLU 333 Ca 0.03 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.61 3a17 s GLU 333 Cb -0.18 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.79 3a17 s GLU 333 CO -0.15 0.28 -0.11 0.71 -0.54 0.00 0.00 175.26 175.46 3a17 s TYR 334 N 0.14 1.42 -0.22 5.30 1.51 -0.11 -0.45 117.35 124.94 3a17 s TYR 334 Ca -0.09 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 3a17 s TYR 334 Cb -0.16 -1.09 0.03 0.00 -0.11 0.00 0.00 41.96 40.64 3a17 s TYR 334 CO 0.06 -0.33 -0.12 0.42 -1.11 0.00 0.00 175.55 174.46 3a17 s ILE 335 N 0.94 2.44 -1.40 2.71 1.01 0.24 -0.28 121.20 126.86 3a17 s ILE 335 Ca -0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 60.65 59.41 3a17 s ILE 335 Cb -0.15 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3a17 s ILE 335 CO 0.00 0.28 0.37 0.59 0.00 0.00 0.00 174.94 176.18 3a17 n ASN 336 N 4.60 -4.91 -4.91 3.58 3.02 -0.33 -0.38 115.26 115.93 3a17 n ASN 336 Ca -0.18 -0.18 -0.28 0.00 -0.03 0.00 0.00 54.58 53.91 3a17 n ASN 336 Cb 0.47 -4.04 -0.03 0.00 -0.61 0.00 0.00 39.78 35.57 3a17 n ASN 336 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a17 s HIS 338 N -2.15 2.89 0.57 0.00 -3.43 -1.26 -4.82 115.29 107.09 3a17 s HIS 338 Ca 0.44 1.55 0.20 0.00 -0.80 0.00 0.00 55.06 56.45 3a17 s HIS 338 Cb -0.11 -3.32 1.10 0.00 -1.43 0.00 0.00 32.58 28.82 3a17 s HIS 338 CO 0.31 -1.39 1.60 -1.35 -2.00 0.00 0.00 174.74 171.92 3a17 h PRO 339 N 1.92 0.00 -0.15 -0.38 0.11 -1.97 0.78 132.00 132.30 3a17 h PRO 339 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3a17 h PRO 339 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3a17 h PRO 339 CO 0.60 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.80 3a17 n GLY 340 N -1.29 0.41 3.66 -0.55 0.00 -1.26 -3.13 105.19 103.04 3a17 n GLY 340 Ca -0.01 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3a17 n GLY 340 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a17 s THR 341 N -1.81 4.23 0.00 2.61 2.01 0.26 -4.37 115.64 118.58 3a17 s THR 341 Ca 0.34 1.50 0.00 0.00 0.31 0.00 0.00 61.69 63.84 3a17 s THR 341 Cb 0.19 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.73 3a17 s THR 341 CO 0.28 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 3a17 n GLY 342 N 3.61 2.74 0.00 4.40 0.00 -1.26 -1.14 105.19 113.54 3a17 n GLY 342 Ca 0.14 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.42 3a17 n GLY 342 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a17 n MET 343 N 14.00 0.43 0.08 1.61 0.00 -1.26 -2.91 117.12 129.06 3a17 n MET 343 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 57.70 57.63 3a17 n MET 343 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.69 3a17 n MET 343 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3a17 h LEU 344 N 0.00 0.36 -0.33 4.03 3.38 -1.40 -3.07 115.31 118.29 3a17 h LEU 344 Ca 0.00 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.71 3a17 h LEU 344 Cb 0.04 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3a17 h LEU 344 CO 0.00 1.11 0.10 -0.09 0.09 0.00 0.00 178.44 179.65 3a17 h ARG 345 N 0.15 0.23 0.00 1.13 2.43 -1.47 -3.12 114.38 113.73 3a17 h ARG 345 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3a17 h ARG 345 Cb 1.56 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 3a17 h ARG 345 CO 0.15 0.15 -1.20 -0.25 -1.51 0.00 0.00 179.97 177.31 3a17 n ASP 346 N -5.04 0.79 -4.67 -3.80 8.00 -1.26 -4.95 116.55 105.61 3a17 n ASP 346 Ca 0.00 -0.77 -0.50 0.00 0.71 0.00 0.00 54.79 54.24 3a17 n ASP 346 Cb 0.12 1.22 -0.05 0.00 -0.02 0.00 0.00 41.12 42.39 3a17 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a17 n ALA 347 N -1.66 0.65 -2.47 2.24 0.00 -1.16 -4.89 120.51 113.22 3a17 n ALA 347 Ca 0.02 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 3a17 n ALA 347 Cb 0.38 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.41 3a17 n ALA 347 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a17 s VAL 348 N 2.80 4.71 0.00 0.00 -7.23 -0.67 -4.79 120.40 115.23 3a17 s VAL 348 Ca 0.89 1.91 0.00 0.00 -1.81 0.00 0.00 61.98 62.97 3a17 s VAL 348 Cb -0.78 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 31.91 3a17 s VAL 348 CO 0.50 0.27 0.00 0.35 -0.31 0.00 0.00 175.10 175.91 3a17 n THR 349 N 3.22 0.00 -4.18 5.32 -2.24 -1.26 -1.88 114.28 113.25 3a17 n THR 349 Ca 0.02 0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.73 3a17 n THR 349 Cb 0.50 -1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 67.52 3a17 n THR 349 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3a17 s ILE 350 N -0.54 3.15 0.00 2.28 1.10 -1.26 -4.80 121.20 121.13 3a17 s ILE 350 Ca 0.00 -0.58 0.00 0.00 -0.51 0.00 0.00 60.65 59.56 3a17 s ILE 350 Cb 0.00 -2.39 0.00 0.00 0.15 0.00 0.00 42.46 40.22 3a17 s ILE 350 CO 0.00 0.47 0.00 0.00 -2.11 0.00 0.00 174.94 173.30