#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a16 s GLU 2 N 0.00 3.60 0.07 0.03 2.02 -1.22 -4.82 118.70 118.38 3a16 s GLU 2 Ca 0.00 2.00 -0.03 0.00 0.02 0.00 0.00 54.97 56.96 3a16 s GLU 2 Cb 0.00 -2.43 -0.05 0.00 0.10 0.00 0.00 34.13 31.76 3a16 s GLU 2 CO 0.00 -0.75 0.27 0.45 0.02 0.00 0.00 175.26 175.25 3a16 s SER 3 N -1.11 6.43 0.50 -0.19 0.15 -1.26 -1.35 113.70 116.86 3a16 s SER 3 Ca 0.65 0.43 0.27 0.00 0.70 0.00 0.00 55.95 58.00 3a16 s SER 3 Cb -0.34 -2.03 1.28 0.00 -1.71 0.00 0.00 66.02 63.22 3a16 s SER 3 CO 0.42 0.16 1.98 0.00 1.20 0.00 0.00 173.24 177.00 3a16 h ALA 4 N 3.25 1.14 -2.30 5.45 0.00 -1.93 -3.42 119.26 121.44 3a16 h ALA 4 Ca -0.47 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 53.74 3a16 h ALA 4 Cb 1.17 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3a16 h ALA 4 CO 0.72 0.18 0.51 0.42 0.00 0.00 0.00 179.25 181.08 3a16 s ILE 5 N -3.93 4.82 0.47 0.00 1.01 -1.26 -4.99 121.20 117.32 3a16 s ILE 5 Ca -0.01 1.85 -0.24 0.00 0.00 0.00 0.00 60.65 62.25 3a16 s ILE 5 Cb 0.12 -4.23 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 3a16 s ILE 5 CO 0.59 -0.00 1.31 0.61 0.00 0.00 0.00 174.94 177.45 3a16 n GLY 6 N 3.27 0.65 0.28 6.18 0.00 -1.26 -4.80 105.19 109.51 3a16 n GLY 6 Ca 0.07 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.26 3a16 n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a16 h GLU 7 N 1.87 0.57 0.00 1.61 4.81 -1.93 0.27 114.58 121.79 3a16 h GLU 7 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3a16 h GLU 7 Cb 1.30 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3a16 h GLU 7 CO 0.59 0.38 0.00 -2.39 -0.73 0.00 0.00 179.01 176.86 3a16 n HIS 8 N -4.88 0.80 0.90 0.92 1.44 -1.26 -2.48 115.22 110.65 3a16 n HIS 8 Ca 0.14 0.33 0.10 0.00 -2.01 0.00 0.00 57.72 56.28 3a16 n HIS 8 Cb 0.35 -1.03 0.04 0.00 0.12 0.00 0.00 29.99 29.47 3a16 n HIS 8 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3a16 n LEU 9 N -2.24 2.30 -4.72 2.39 4.77 0.06 -4.93 117.00 114.63 3a16 n LEU 9 Ca 0.02 -0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 54.71 3a16 n LEU 9 Cb 0.20 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3a16 n LEU 9 CO 0.18 0.41 0.97 -1.10 -1.33 0.00 0.00 177.39 176.52 3a16 s GLN 10 N -2.07 4.39 0.15 3.23 -0.21 -1.04 -4.95 119.66 119.16 3a16 s GLN 10 Ca 0.20 1.93 -0.04 0.00 0.02 0.00 0.00 55.36 57.48 3a16 s GLN 10 Cb 0.17 -3.28 -0.03 0.00 1.00 0.00 0.00 33.01 30.87 3a16 s GLN 10 CO 0.41 -0.32 0.16 0.00 -2.12 0.00 0.00 175.29 173.42 3a16 n PRO 12 N -0.16 2.55 -3.22 0.00 -0.02 -1.26 -4.97 135.00 127.92 3a16 n PRO 12 Ca -0.05 0.91 -0.39 0.00 -2.02 0.00 0.00 63.50 61.95 3a16 n PRO 12 Cb 0.64 -2.71 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 3a16 n PRO 12 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3a16 s ARG 13 N 0.52 4.28 -0.07 -0.52 0.52 -1.26 -4.87 118.95 117.54 3a16 s ARG 13 Ca 0.72 0.81 0.17 0.00 -0.52 0.00 0.00 55.73 56.91 3a16 s ARG 13 Cb -0.56 -3.25 -0.25 0.00 0.52 0.00 0.00 34.95 31.41 3a16 s ARG 13 CO 0.39 0.60 0.28 0.25 0.02 0.00 0.00 175.30 176.84 3a16 n THR 14 N 1.80 0.39 -5.24 0.02 -2.24 -0.58 -4.99 114.28 103.44 3a16 n THR 14 Ca -0.09 -0.51 -0.31 0.00 -2.27 0.00 0.00 64.05 60.87 3a16 n THR 14 Cb 0.50 -0.13 -0.16 0.00 -2.10 0.00 0.00 70.33 68.45 3a16 n THR 14 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a16 s LEU 15 N -4.58 2.16 0.37 3.22 1.43 -0.72 -5.01 118.68 115.55 3a16 s LEU 15 Ca -0.07 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.69 3a16 s LEU 15 Cb 0.09 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 3a16 s LEU 15 CO 0.72 0.32 0.08 0.42 0.23 0.00 0.00 176.35 178.13 3a16 s THR 16 N -0.63 2.56 0.96 5.49 -4.23 -1.26 -4.61 115.64 113.92 3a16 s THR 16 Ca 0.10 -1.85 -0.13 0.00 -1.18 0.00 0.00 61.69 58.64 3a16 s THR 16 Cb -0.10 -2.90 0.17 0.00 1.34 0.00 0.00 72.50 71.01 3a16 s THR 16 CO -0.01 -0.13 1.12 -0.13 -0.54 0.00 0.00 174.62 174.94 3a16 s ARG 17 N -3.79 0.70 0.00 3.99 0.52 -1.26 -5.00 118.95 114.11 3a16 s ARG 17 Ca 0.37 0.33 0.19 0.00 -0.52 0.00 0.00 55.73 56.10 3a16 s ARG 17 Cb 0.01 -1.78 0.39 0.00 0.52 0.00 0.00 34.95 34.09 3a16 s ARG 17 CO 0.21 -2.51 1.32 2.89 0.02 0.00 0.00 175.30 177.23 3a16 n ARG 18 N -3.99 2.37 -4.52 3.54 1.85 -1.26 -4.95 116.66 109.70 3a16 n ARG 18 Ca 0.06 -2.15 -0.24 0.00 -1.00 0.00 0.00 57.85 54.52 3a16 n ARG 18 Cb 0.59 -1.43 -0.14 0.00 -1.05 0.00 0.00 32.46 30.43 3a16 n ARG 18 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3a16 s VAL 19 N -1.21 1.58 0.91 8.89 -7.23 -1.26 -5.15 120.40 116.92 3a16 s VAL 19 Ca 0.33 -1.24 -0.12 0.00 -1.81 0.00 0.00 61.98 59.15 3a16 s VAL 19 Cb 0.19 -1.40 0.13 0.00 0.56 0.00 0.00 36.38 35.87 3a16 s VAL 19 CO 0.26 0.12 1.09 -2.16 -0.31 0.00 0.00 175.10 174.10 3a16 s PRO 20 N -1.32 1.17 0.55 4.82 0.04 -1.26 -4.94 135.00 134.06 3a16 s PRO 20 Ca 0.06 0.72 0.33 0.00 0.04 0.00 0.00 61.00 62.15 3a16 s PRO 20 Cb -0.09 -1.81 1.56 0.00 0.04 0.00 0.00 34.50 34.20 3a16 s PRO 20 CO 0.02 -2.27 2.07 -0.44 0.04 0.00 0.00 177.00 176.42 3a16 h ASP 21 N -1.57 0.00 0.68 6.66 5.19 -2.02 -2.02 116.42 123.34 3a16 h ASP 21 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 3a16 h ASP 21 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3a16 h ASP 21 CO 0.56 0.07 0.00 0.35 -3.12 0.00 0.00 179.24 177.10 3a16 n THR 22 N -3.30 0.60 -1.65 0.35 -2.24 -1.26 -4.88 114.28 101.91 3a16 n THR 22 Ca -0.01 0.15 -0.49 0.00 -2.27 0.00 0.00 64.05 61.44 3a16 n THR 22 Cb 0.25 -0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 67.63 3a16 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a16 n TYR 23 N -1.49 2.02 -4.10 4.78 9.36 -0.76 -4.99 117.16 121.98 3a16 n TYR 23 Ca 0.05 0.38 -0.24 0.00 3.32 0.00 0.00 57.90 61.41 3a16 n TYR 23 Cb 0.23 -2.48 -0.17 0.00 -0.63 0.00 0.00 39.34 36.29 3a16 n TYR 23 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3a16 s THR 24 N 1.09 0.81 0.46 2.97 2.01 -1.26 -5.02 115.64 116.70 3a16 s THR 24 Ca 0.82 -0.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.38 3a16 s THR 24 Cb -0.78 -0.83 -0.07 0.00 0.01 0.00 0.00 72.50 70.82 3a16 s THR 24 CO 0.43 0.31 1.14 -2.16 -0.69 0.00 0.00 174.62 173.65 3a16 s PRO 25 N 1.32 3.77 0.15 4.92 0.04 -1.26 -4.95 135.00 138.99 3a16 s PRO 25 Ca -0.03 1.71 0.24 0.00 0.04 0.00 0.00 61.00 62.95 3a16 s PRO 25 Cb -0.14 -2.37 0.92 0.00 0.04 0.00 0.00 34.50 32.96 3a16 s PRO 25 CO -0.03 -0.53 1.75 -0.35 0.04 0.00 0.00 177.00 177.88 3a16 n PRO 26 N -0.54 0.15 -3.87 0.56 -0.04 -1.26 -4.80 135.00 125.20 3a16 n PRO 26 Ca 0.08 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.66 3a16 n PRO 26 Cb 0.49 -1.72 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 3a16 n PRO 26 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a16 s PHE 27 N -3.12 0.08 0.24 0.54 -0.71 -1.26 -5.15 117.98 108.59 3a16 s PHE 27 Ca 0.09 -0.27 -0.30 0.00 -1.04 0.00 0.00 56.93 55.41 3a16 s PHE 27 Cb 0.12 -0.06 -0.09 0.00 -1.21 0.00 0.00 43.02 41.79 3a16 s PHE 27 CO 0.48 -0.37 0.97 -2.14 -1.34 0.00 0.00 175.22 172.81 3a16 s PRO 28 N -2.20 4.82 0.06 1.99 0.02 -1.26 -5.02 135.00 133.42 3a16 s PRO 28 Ca -0.08 1.54 -0.01 0.00 0.02 0.00 0.00 61.00 62.46 3a16 s PRO 28 Cb -0.03 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 3a16 s PRO 28 CO -0.02 0.46 -0.01 -1.64 -0.33 0.00 0.00 177.00 175.45 3a16 s MET 29 N -1.16 0.65 0.18 5.54 -1.94 -1.26 -4.87 119.30 116.44 3a16 s MET 29 Ca 0.42 -1.24 0.05 0.00 -1.71 0.00 0.00 55.69 53.21 3a16 s MET 29 Cb -0.27 0.22 -0.05 0.00 2.01 0.00 0.00 34.83 36.74 3a16 s MET 29 CO 0.33 -0.13 -0.08 -1.58 -0.01 0.00 0.00 175.02 173.55 3a16 s TRP 30 N -3.93 1.45 0.11 -0.03 0.51 -0.04 -1.99 118.94 115.01 3a16 s TRP 30 Ca 0.09 -0.76 0.04 0.00 -2.12 0.00 0.00 56.10 53.35 3a16 s TRP 30 Cb 0.08 -0.75 -0.04 0.00 -0.81 0.00 0.00 33.47 31.95 3a16 s TRP 30 CO -0.09 0.11 -0.11 0.14 -0.51 0.00 0.00 176.95 176.49 3a16 s VAL 31 N -3.27 1.08 0.35 4.03 -7.23 -1.26 -0.22 120.40 113.87 3a16 s VAL 31 Ca 0.21 -1.67 -0.27 0.00 -1.81 0.00 0.00 61.98 58.43 3a16 s VAL 31 Cb 0.03 -1.43 -0.09 0.00 0.56 0.00 0.00 36.38 35.45 3a16 s VAL 31 CO 0.04 -0.52 1.20 -0.83 -0.31 0.00 0.00 175.10 174.68 3a16 s GLY 32 N -2.46 2.96 -0.02 2.32 0.00 -1.26 -0.84 107.32 108.01 3a16 s GLY 32 Ca 0.07 1.05 0.04 0.00 0.00 0.00 0.00 44.72 45.88 3a16 s GLY 32 CO 0.01 1.63 -0.13 0.50 0.00 0.00 0.00 173.10 175.11 3a16 s ARG 33 N -1.91 2.42 -0.05 2.90 1.81 0.28 -4.82 118.95 119.59 3a16 s ARG 33 Ca 0.51 -0.76 -0.06 0.00 -1.72 0.00 0.00 55.73 53.70 3a16 s ARG 33 Cb -0.34 -2.37 0.01 0.00 -0.45 0.00 0.00 34.95 31.80 3a16 s ARG 33 CO 0.44 0.60 0.15 0.00 -0.68 0.00 0.00 175.30 175.82 3a16 s ALA 34 N -0.83 -0.37 1.09 2.13 0.00 -1.26 0.26 121.76 122.78 3a16 s ALA 34 Ca 0.13 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 3a16 s ALA 34 Cb -0.11 -0.18 0.26 0.00 0.00 0.00 0.00 23.12 23.09 3a16 s ALA 34 CO 0.03 -0.10 1.27 -0.40 0.00 0.00 0.00 175.76 176.56 3a16 n ASP 35 N 2.69 -0.67 -0.36 0.00 5.68 -1.26 -4.90 116.55 117.72 3a16 n ASP 35 Ca -0.15 -1.38 0.29 0.00 -0.50 0.00 0.00 54.79 53.05 3a16 n ASP 35 Cb 0.58 -1.03 0.58 0.00 -1.14 0.00 0.00 41.12 40.11 3a16 n ASP 35 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3a16 h ASP 36 N -2.12 0.33 -0.86 -1.12 3.58 -2.02 -2.16 116.42 112.06 3a16 h ASP 36 Ca -0.43 0.09 0.11 0.00 0.42 0.00 0.00 57.03 57.21 3a16 h ASP 36 Cb 1.23 0.04 -0.06 0.00 1.72 0.00 0.00 39.33 42.26 3a16 h ASP 36 CO 0.30 -0.00 0.56 0.00 -2.88 0.00 0.00 179.24 177.21 3a16 h ALA 37 N 1.58 1.71 -1.83 -0.78 0.00 -2.03 -3.38 119.26 114.53 3a16 h ALA 37 Ca 0.66 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 55.00 3a16 h ALA 37 Cb 1.92 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 3a16 h ALA 37 CO -0.30 0.10 0.99 -1.17 0.00 0.00 0.00 179.25 178.87 3a16 s LEU 38 N -9.85 3.70 -0.08 0.00 2.96 -0.81 -4.85 118.68 109.74 3a16 s LEU 38 Ca -0.10 0.85 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 3a16 s LEU 38 Cb 0.21 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.28 3a16 s LEU 38 CO 0.79 -1.25 -0.03 0.00 -1.32 0.00 0.00 176.35 174.54 3a16 n GLN 39 N 7.72 1.50 -3.64 1.98 1.13 -1.26 -4.73 117.38 120.09 3a16 n GLN 39 Ca 0.15 0.03 -0.07 0.00 -1.94 0.00 0.00 57.00 55.16 3a16 n GLN 39 Cb 0.48 -1.19 -0.07 0.00 0.11 0.00 0.00 30.24 29.57 3a16 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3a16 s GLN 40 N -2.18 0.71 0.33 -1.09 0.74 -1.26 -1.07 119.66 115.84 3a16 s GLN 40 Ca -0.08 1.21 0.07 0.00 0.05 0.00 0.00 55.36 56.61 3a16 s GLN 40 Cb 0.03 0.15 -0.02 0.00 1.10 0.00 0.00 33.01 34.26 3a16 s GLN 40 CO 0.26 -0.15 0.36 0.14 -0.55 0.00 0.00 175.29 175.35 3a16 s VAL 41 N 1.59 3.80 -0.09 1.34 -7.23 -0.84 -3.54 120.40 115.43 3a16 s VAL 41 Ca -0.10 -1.22 0.04 0.00 -1.81 0.00 0.00 61.98 58.89 3a16 s VAL 41 Cb -0.05 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.60 3a16 s VAL 41 CO -0.19 -0.17 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.50 3a16 s VAL 42 N -2.24 1.96 -0.34 1.32 1.01 -0.60 -3.32 120.40 118.19 3a16 s VAL 42 Ca 0.42 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 3a16 s VAL 42 Cb -0.07 -1.70 0.06 0.00 0.00 0.00 0.00 36.38 34.67 3a16 s VAL 42 CO 0.28 0.54 0.08 -0.04 0.00 0.00 0.00 175.10 175.97 3a16 s MET 43 N 0.33 2.40 -0.30 2.72 -1.94 0.44 -1.01 119.30 121.95 3a16 s MET 43 Ca -0.17 -1.37 -0.02 0.00 -1.71 0.00 0.00 55.69 52.42 3a16 s MET 43 Cb -0.17 -3.37 0.05 0.00 2.01 0.00 0.00 34.83 33.34 3a16 s MET 43 CO 0.08 -0.74 -0.00 0.20 -0.01 0.00 0.00 175.02 174.55 3a16 s GLY 44 N 1.45 1.75 -0.44 -0.03 0.00 -0.43 -1.33 107.32 108.28 3a16 s GLY 44 Ca -0.01 -1.73 -0.17 0.00 0.00 0.00 0.00 44.72 42.81 3a16 s GLY 44 CO -0.01 0.68 0.43 -0.19 0.00 0.00 0.00 173.10 174.02 3a16 s TYR 45 N 1.27 3.18 -0.23 1.90 1.51 -0.27 -0.77 117.35 123.94 3a16 s TYR 45 Ca -0.05 -0.53 -0.05 0.00 -1.01 0.00 0.00 57.07 55.43 3a16 s TYR 45 Cb -0.19 -2.97 -0.02 0.00 -0.11 0.00 0.00 41.96 38.67 3a16 s TYR 45 CO -0.01 -0.74 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.17 3a16 s LEU 46 N 2.04 3.08 0.18 -1.29 1.02 0.85 -0.77 118.68 123.79 3a16 s LEU 46 Ca 0.10 -0.32 0.11 0.00 0.02 0.00 0.00 54.13 54.04 3a16 s LEU 46 Cb -0.19 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 3a16 s LEU 46 CO 0.12 -0.02 -0.23 -0.83 0.02 0.00 0.00 176.35 175.41 3a16 s GLY 47 N 1.48 1.69 -0.05 -3.19 0.00 0.03 -0.04 107.32 107.25 3a16 s GLY 47 Ca 0.06 -1.59 0.02 0.00 0.00 0.00 0.00 44.72 43.21 3a16 s GLY 47 CO -0.01 -1.60 -0.07 0.14 0.00 0.00 0.00 173.10 171.56 3a16 s VAL 48 N -1.54 0.74 0.04 1.40 1.01 0.32 -1.98 120.40 120.39 3a16 s VAL 48 Ca 0.20 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.00 3a16 s VAL 48 Cb -0.08 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3a16 s VAL 48 CO 0.10 0.27 -0.20 -1.58 0.00 0.00 0.00 175.10 173.68 3a16 s GLN 49 N 0.80 1.38 0.02 2.72 0.74 0.33 -0.54 119.66 125.10 3a16 s GLN 49 Ca -0.13 -0.91 -0.28 0.00 0.05 0.00 0.00 55.36 54.09 3a16 s GLN 49 Cb -0.15 -1.47 0.10 0.00 1.10 0.00 0.00 33.01 32.58 3a16 s GLN 49 CO 0.02 0.38 0.83 -0.59 -0.55 0.00 0.00 175.29 175.38 3a16 s PHE 50 N -0.78 -0.39 0.00 1.67 -0.71 -0.48 -0.55 117.98 116.74 3a16 s PHE 50 Ca 0.07 0.27 0.00 0.00 -1.04 0.00 0.00 56.93 56.23 3a16 s PHE 50 Cb -0.09 0.54 0.00 0.00 -1.21 0.00 0.00 43.02 42.26 3a16 s PHE 50 CO 0.02 -0.60 0.00 -2.13 -1.34 0.00 0.00 175.22 171.17 3a16 n ARG 51 N -0.21 2.01 -2.96 1.99 0.63 -1.26 0.15 116.66 117.02 3a16 n ARG 51 Ca -0.11 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.43 3a16 n ARG 51 Cb 0.62 -0.82 -0.05 0.00 0.45 0.00 0.00 32.46 32.66 3a16 n ARG 51 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3a16 s ASP 52 N -2.57 7.28 0.47 6.15 1.01 -1.26 -4.89 116.67 122.87 3a16 s ASP 52 Ca 0.00 1.53 0.17 0.00 0.71 0.00 0.00 52.55 54.96 3a16 s ASP 52 Cb 0.00 -2.49 1.16 0.00 1.01 0.00 0.00 42.92 42.60 3a16 s ASP 52 CO 0.00 0.06 2.02 -0.08 0.21 0.00 0.00 175.17 177.38 3a16 h GLU 53 N 5.30 0.23 0.00 8.23 4.22 -2.02 -0.98 114.58 129.56 3a16 h GLU 53 Ca -0.45 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 3a16 h GLU 53 Cb 1.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3a16 h GLU 53 CO 0.70 0.15 0.00 -0.40 -2.18 0.00 0.00 179.01 177.28 3a16 n ASP 54 N -4.46 0.00 0.01 1.04 5.68 -1.26 -1.81 116.55 115.76 3a16 n ASP 54 Ca 0.07 0.22 0.11 0.00 -0.50 0.00 0.00 54.79 54.70 3a16 n ASP 54 Cb 0.37 -0.35 -0.02 0.00 -1.14 0.00 0.00 41.12 39.98 3a16 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a16 n GLN 55 N -1.35 0.23 -0.06 0.11 6.02 -0.37 -4.57 117.38 117.40 3a16 n GLN 55 Ca 0.05 -0.03 -0.07 0.00 -0.01 0.00 0.00 57.00 56.94 3a16 n GLN 55 Cb 0.11 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 3a16 n GLN 55 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3a16 h ARG 56 N 0.00 0.04 -0.41 -1.09 2.43 -1.44 -0.12 114.38 113.79 3a16 h ARG 56 Ca 0.00 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3a16 h ARG 56 Cb 0.68 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 3a16 h ARG 56 CO 0.00 0.02 0.10 -1.35 -1.51 0.00 0.00 179.97 177.23 3a16 h PRO 57 N 0.04 0.22 -0.49 0.20 0.11 -1.80 -1.12 132.00 129.16 3a16 h PRO 57 Ca 0.12 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 3a16 h PRO 57 Cb 0.17 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 3a16 h PRO 57 CO -0.24 0.15 0.10 0.00 -0.21 0.00 0.00 178.00 177.80 3a16 h ALA 58 N 1.30 1.25 -0.31 -0.75 0.00 -1.77 -1.68 119.26 117.29 3a16 h ALA 58 Ca 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3a16 h ALA 58 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a16 h ALA 58 CO -0.25 0.52 0.08 0.00 0.00 0.00 0.00 179.25 179.60 3a16 h ALA 59 N 1.38 0.41 -0.38 0.00 0.00 -0.59 0.12 119.26 120.19 3a16 h ALA 59 Ca 0.16 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3a16 h ALA 59 Cb 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3a16 h ALA 59 CO 0.00 0.06 -0.19 -0.07 0.00 0.00 0.00 179.25 179.05 3a16 h LEU 60 N 0.34 0.74 -0.55 0.00 3.38 -1.10 -1.65 115.31 116.46 3a16 h LEU 60 Ca 0.10 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3a16 h LEU 60 Cb 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3a16 h LEU 60 CO -0.00 0.92 -0.05 -0.61 0.09 0.00 0.00 178.44 178.79 3a16 h GLN 61 N 0.65 1.01 -0.45 1.13 5.75 -1.19 -0.79 115.11 121.21 3a16 h GLN 61 Ca 0.10 -0.35 -0.07 0.00 -0.15 0.00 0.00 58.65 58.18 3a16 h GLN 61 Cb 0.68 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 3a16 h GLN 61 CO 0.05 1.03 -0.02 0.00 -2.65 0.00 0.00 178.83 177.24 3a16 h ALA 62 N 0.95 1.12 -0.44 3.38 0.00 -0.80 0.43 119.26 123.89 3a16 h ALA 62 Ca 0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3a16 h ALA 62 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3a16 h ALA 62 CO 0.04 0.56 0.07 1.98 0.00 0.00 0.00 179.25 181.90 3a16 h MET 63 N 0.70 0.72 -0.39 0.00 1.85 -1.11 -1.80 114.93 114.91 3a16 h MET 63 Ca 0.14 -0.19 -0.05 0.00 -0.61 0.00 0.00 59.70 58.99 3a16 h MET 63 Cb 0.46 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.39 3a16 h MET 63 CO 0.02 0.75 0.05 0.00 -0.40 0.00 0.00 176.91 177.33 3a16 h ARG 64 N 0.58 0.59 -0.71 0.39 3.08 -0.83 -1.55 114.38 115.93 3a16 h ARG 64 Ca 0.13 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3a16 h ARG 64 Cb 0.38 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3a16 h ARG 64 CO 0.01 0.58 0.21 -0.44 -1.07 0.00 0.00 179.97 179.26 3a16 h ASP 65 N 0.57 1.04 0.01 7.04 3.32 -0.65 -0.66 116.42 127.10 3a16 h ASP 65 Ca 0.13 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3a16 h ASP 65 Cb 0.29 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3a16 h ASP 65 CO 0.00 0.98 -0.01 0.40 -1.72 0.00 0.00 179.24 178.89 3a16 h ILE 66 N 1.04 1.15 -0.79 0.35 2.04 -0.96 -2.15 117.51 118.19 3a16 h ILE 66 Ca 0.23 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.63 3a16 h ILE 66 Cb 0.32 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3a16 h ILE 66 CO -0.01 0.12 0.52 0.58 0.00 0.00 0.00 178.15 179.37 3a16 h VAL 67 N -0.23 1.14 -0.57 1.67 2.07 -1.23 -1.84 116.25 117.26 3a16 h VAL 67 Ca -0.00 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3a16 h VAL 67 Cb 0.22 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 3a16 h VAL 67 CO 0.00 0.18 0.13 0.00 0.02 0.00 0.00 177.57 177.91 3a16 h ALA 68 N 1.53 1.16 0.00 1.67 0.00 -0.98 -1.69 119.26 120.95 3a16 h ALA 68 Ca 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a16 h ALA 68 Cb 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3a16 h ALA 68 CO -0.08 0.57 -0.00 0.78 0.00 0.00 0.00 179.25 180.51 3a16 h GLY 69 N 1.00 0.00 2.00 0.00 0.00 -0.66 -2.17 103.07 103.25 3a16 h GLY 69 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3a16 h GLY 69 CO -0.00 0.00 -0.02 0.74 0.00 0.00 0.00 176.54 177.26 3a16 h PHE 70 N 0.00 0.00 0.00 5.60 -1.00 -1.10 -2.93 116.94 117.51 3a16 h PHE 70 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3a16 h PHE 70 Cb 0.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.59 3a16 h PHE 70 CO 0.00 0.02 0.00 -0.25 -1.61 0.00 0.00 178.31 176.47 3a16 n ASP 71 N -3.13 0.81 -4.79 2.17 9.92 -0.81 -4.21 116.55 116.50 3a16 n ASP 71 Ca 0.01 0.61 -0.32 0.00 -0.53 0.00 0.00 54.79 54.56 3a16 n ASP 71 Cb 0.34 -0.81 0.04 0.00 -0.64 0.00 0.00 41.12 40.05 3a16 n ASP 71 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3a16 s LEU 72 N -4.59 3.32 0.36 0.64 1.43 -1.11 -4.92 118.68 113.81 3a16 s LEU 72 Ca 0.09 1.82 -0.26 0.00 -1.03 0.00 0.00 54.13 54.75 3a16 s LEU 72 Cb 0.11 -4.53 -0.12 0.00 0.03 0.00 0.00 46.19 41.68 3a16 s LEU 72 CO 0.54 -1.48 0.91 -2.65 0.23 0.00 0.00 176.35 173.90 3a16 n PRO 73 N -2.60 1.18 -1.13 1.29 -0.02 -1.26 -1.60 135.00 130.85 3a16 n PRO 73 Ca 0.09 0.42 -0.05 0.00 -2.02 0.00 0.00 63.50 61.94 3a16 n PRO 73 Cb 0.53 -1.84 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 3a16 n PRO 73 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a16 n ASP 74 N 0.97 -4.28 -4.62 2.55 8.00 -1.26 -4.65 116.55 113.26 3a16 n ASP 74 Ca 0.10 0.11 -0.30 0.00 0.71 0.00 0.00 54.79 55.42 3a16 n ASP 74 Cb 0.36 -2.18 0.19 0.00 -0.02 0.00 0.00 41.12 39.47 3a16 n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3a16 s GLY 75 N -2.43 1.63 0.62 0.44 0.00 -0.63 -4.44 107.32 102.52 3a16 s GLY 75 Ca 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 44.72 44.82 3a16 s GLY 75 CO 0.00 0.80 1.17 2.56 0.00 0.00 0.00 173.10 177.63 3a16 s PRO 76 N -4.62 2.87 0.34 2.90 0.04 -1.26 -4.94 135.00 130.33 3a16 s PRO 76 Ca 0.67 1.68 0.17 0.00 0.04 0.00 0.00 61.00 63.55 3a16 s PRO 76 Cb -0.23 -1.93 0.55 0.00 0.04 0.00 0.00 34.50 32.93 3a16 s PRO 76 CO 0.60 -1.25 1.68 0.00 0.04 0.00 0.00 177.00 178.07 3a16 h ALA 77 N 0.57 0.95 -2.68 8.56 0.00 -1.47 -3.46 119.26 121.73 3a16 h ALA 77 Ca -0.49 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 53.88 3a16 h ALA 77 Cb 1.28 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 3a16 h ALA 77 CO 0.54 0.55 -0.47 -1.58 0.00 0.00 0.00 179.25 178.29 3a16 s HIS 78 N -3.53 0.07 0.17 0.00 5.65 -1.19 -4.99 115.29 111.46 3a16 s HIS 78 Ca 0.00 -0.22 -0.15 0.00 0.25 0.00 0.00 55.06 54.94 3a16 s HIS 78 Cb 0.11 -0.06 0.02 0.00 -1.18 0.00 0.00 32.58 31.47 3a16 s HIS 78 CO 0.71 -0.33 0.44 -3.38 -0.65 0.00 0.00 174.74 171.52 3a16 s HIS 79 N -1.81 -0.03 0.12 3.88 -0.00 -1.26 -0.77 115.29 115.42 3a16 s HIS 79 Ca -0.11 -0.31 -0.12 0.00 -0.00 0.00 0.00 55.06 54.52 3a16 s HIS 79 Cb -0.05 0.26 0.01 0.00 -0.00 0.00 0.00 32.58 32.80 3a16 s HIS 79 CO -0.00 -0.81 0.31 0.16 -0.00 0.00 0.00 174.74 174.39 3a16 s ASP 80 N -2.87 -0.05 -0.05 7.38 1.47 -0.74 -5.00 116.67 116.80 3a16 s ASP 80 Ca 0.09 -0.54 0.05 0.00 1.18 0.00 0.00 52.55 53.33 3a16 s ASP 80 Cb 0.01 0.42 -0.02 0.00 -0.34 0.00 0.00 42.92 42.99 3a16 s ASP 80 CO -0.05 -0.82 -0.19 -0.76 0.68 0.00 0.00 175.17 174.03 3a16 s LEU 81 N -2.85 2.44 0.12 2.11 1.43 -1.26 -1.21 118.68 119.45 3a16 s LEU 81 Ca 0.06 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3a16 s LEU 81 Cb 0.03 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 3a16 s LEU 81 CO -0.09 0.30 0.07 0.42 0.23 0.00 0.00 176.35 177.27 3a16 s THR 82 N -0.47 0.12 -0.02 5.49 -4.23 0.00 -0.77 115.64 115.76 3a16 s THR 82 Ca 0.06 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.78 3a16 s THR 82 Cb -0.12 -1.90 -0.00 0.00 1.34 0.00 0.00 72.50 71.82 3a16 s THR 82 CO 0.01 -0.55 -0.10 -2.28 -0.54 0.00 0.00 174.62 171.16 3a16 s HIS 83 N -4.01 0.96 0.12 3.99 5.04 -0.10 -1.04 115.29 120.25 3a16 s HIS 83 Ca 0.20 -0.22 -0.12 0.00 -1.54 0.00 0.00 55.06 53.38 3a16 s HIS 83 Cb 0.07 -0.66 0.01 0.00 0.04 0.00 0.00 32.58 32.04 3a16 s HIS 83 CO -0.01 -0.07 0.30 -3.38 -2.34 0.00 0.00 174.74 169.24 3a16 s HIS 84 N 0.05 0.06 -0.24 3.88 -3.43 -0.77 -0.95 115.29 113.90 3a16 s HIS 84 Ca -0.01 -0.44 -0.06 0.00 -0.80 0.00 0.00 55.06 53.75 3a16 s HIS 84 Cb -0.07 0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 31.13 3a16 s HIS 84 CO 0.00 -0.66 0.04 0.42 -2.00 0.00 0.00 174.74 172.54 3a16 s ILE 85 N -3.86 4.04 0.77 -5.38 1.01 -1.26 -0.43 121.20 116.08 3a16 s ILE 85 Ca 0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 3a16 s ILE 85 Cb 0.03 -2.87 0.18 0.00 0.01 0.00 0.00 42.46 39.81 3a16 s ILE 85 CO -0.09 0.37 0.86 -0.90 0.00 0.00 0.00 174.94 175.18 3a16 n ASP 86 N 4.84 -0.80 -0.18 3.58 5.68 -0.35 -4.93 116.55 124.40 3a16 n ASP 86 Ca -0.17 -1.16 0.14 0.00 -0.50 0.00 0.00 54.79 53.10 3a16 n ASP 86 Cb 0.51 -0.71 0.75 0.00 -1.14 0.00 0.00 41.12 40.53 3a16 n ASP 86 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3a16 n ASN 87 N -3.94 0.54 -1.05 -1.12 0.23 -1.26 -2.51 115.26 106.16 3a16 n ASN 87 Ca 0.11 -1.24 0.11 0.00 -0.53 0.00 0.00 54.58 53.04 3a16 n ASN 87 Cb 0.41 -0.01 0.18 0.00 -2.08 0.00 0.00 39.78 38.28 3a16 n ASN 87 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a16 n GLN 88 N -0.55 2.36 -0.84 -3.83 1.13 -1.26 -4.97 117.38 109.43 3a16 n GLN 88 Ca 0.21 -2.15 0.00 0.00 -1.94 0.00 0.00 57.00 53.12 3a16 n GLN 88 Cb 0.19 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.07 3a16 n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a16 n GLY 89 N 1.37 0.70 3.74 1.08 0.00 -1.04 -5.04 105.19 105.99 3a16 n GLY 89 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3a16 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a16 s TYR 90 N -2.56 3.62 0.33 1.61 1.51 -1.26 -4.79 117.35 115.81 3a16 s TYR 90 Ca 0.00 1.16 -0.25 0.00 -1.01 0.00 0.00 57.07 56.97 3a16 s TYR 90 Cb 0.00 -2.66 -0.10 0.00 -0.11 0.00 0.00 41.96 39.09 3a16 s TYR 90 CO 0.00 0.24 0.94 -1.21 -1.11 0.00 0.00 175.55 174.41 3a16 s GLU 91 N 0.24 4.54 -0.06 -0.62 2.02 0.12 -1.21 118.70 123.75 3a16 s GLU 91 Ca 0.32 1.29 -0.01 0.00 0.02 0.00 0.00 54.97 56.59 3a16 s GLU 91 Cb -0.18 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.33 3a16 s GLU 91 CO 0.16 0.26 0.02 -0.80 0.02 0.00 0.00 175.26 174.92 3a16 s ASN 92 N -1.67 1.34 -0.25 -0.19 0.01 0.42 -1.38 114.94 113.23 3a16 s ASN 92 Ca 0.51 -0.03 -0.10 0.00 -0.71 0.00 0.00 52.86 52.53 3a16 s ASN 92 Cb -0.18 -0.32 -0.05 0.00 0.41 0.00 0.00 41.25 41.11 3a16 s ASN 92 CO 0.23 -0.20 0.15 -0.76 -1.51 0.00 0.00 177.10 175.00 3a16 s LEU 93 N 1.95 4.00 -0.16 0.60 1.43 0.30 -1.85 118.68 124.96 3a16 s LEU 93 Ca 0.04 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3a16 s LEU 93 Cb -0.12 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.04 3a16 s LEU 93 CO -0.04 0.03 -0.17 -0.63 0.23 0.00 0.00 176.35 175.78 3a16 s ILE 94 N 1.24 1.77 -0.29 -0.59 1.01 -0.20 -0.52 121.20 123.61 3a16 s ILE 94 Ca 0.07 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.84 3a16 s ILE 94 Cb -0.14 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 3a16 s ILE 94 CO 0.06 0.49 0.22 -0.69 0.00 0.00 0.00 174.94 175.02 3a16 s VAL 95 N 1.34 5.29 -0.23 2.92 1.01 0.95 -0.82 120.40 130.86 3a16 s VAL 95 Ca 0.03 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 3a16 s VAL 95 Cb -0.13 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3a16 s VAL 95 CO -0.10 0.19 0.07 0.54 0.00 0.00 0.00 175.10 175.80 3a16 s VAL 96 N 1.80 4.47 -0.01 2.92 0.11 -0.35 -0.10 120.40 129.24 3a16 s VAL 96 Ca 0.08 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3a16 s VAL 96 Cb -0.16 -3.06 -0.03 0.00 -1.53 0.00 0.00 36.38 31.59 3a16 s VAL 96 CO 0.11 0.38 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.37 3a16 s GLY 97 N 1.20 1.78 -0.13 6.54 0.00 0.05 -1.78 107.32 114.98 3a16 s GLY 97 Ca 0.05 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.80 3a16 s GLY 97 CO 0.03 -0.84 -0.20 -0.19 0.00 0.00 0.00 173.10 171.90 3a16 s TYR 98 N -0.99 2.66 0.07 1.90 2.02 0.05 -1.32 117.35 121.74 3a16 s TYR 98 Ca 0.17 -1.10 0.07 0.00 -0.37 0.00 0.00 57.07 55.84 3a16 s TYR 98 Cb -0.11 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 3a16 s TYR 98 CO 0.07 -0.47 -0.15 -1.58 -1.57 0.00 0.00 175.55 171.85 3a16 s TRP 99 N 0.58 2.62 -1.34 2.71 0.51 -0.18 -1.04 118.94 122.80 3a16 s TRP 99 Ca -0.12 -0.21 0.27 0.00 -2.12 0.00 0.00 56.10 53.92 3a16 s TRP 99 Cb -0.16 -1.44 0.87 0.00 -0.81 0.00 0.00 33.47 31.92 3a16 s TRP 99 CO 0.03 0.33 1.65 1.63 -0.51 0.00 0.00 176.95 180.09 3a16 n LYS 100 N 1.20 0.37 -3.65 4.98 5.02 -1.26 -1.56 118.16 123.26 3a16 n LYS 100 Ca -0.15 -0.17 -0.15 0.00 -2.02 0.00 0.00 58.31 55.81 3a16 n LYS 100 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 3a16 n LYS 100 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3a16 s ASP 101 N -2.75 -0.39 0.16 4.39 -4.77 -1.23 -4.49 116.67 107.59 3a16 s ASP 101 Ca 0.19 0.33 -0.13 0.00 -3.30 0.00 0.00 52.55 49.64 3a16 s ASP 101 Cb 0.19 0.41 0.06 0.00 -1.09 0.00 0.00 42.92 42.49 3a16 s ASP 101 CO 0.57 -0.54 1.74 0.58 0.70 0.00 0.00 175.17 178.23 3a16 h VAL 102 N 3.43 1.21 -0.77 2.11 2.07 -1.88 -3.08 116.25 119.33 3a16 h VAL 102 Ca -0.29 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 3a16 h VAL 102 Cb 1.17 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3a16 h VAL 102 CO 0.40 0.24 0.35 0.28 0.02 0.00 0.00 177.57 178.85 3a16 h SER 103 N 0.74 1.02 -0.32 0.57 0.02 -1.97 -1.31 113.55 112.28 3a16 h SER 103 Ca 0.19 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 3a16 h SER 103 Cb 0.14 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3a16 h SER 103 CO -0.02 0.87 -0.27 0.77 -1.14 0.00 0.00 176.83 177.04 3a16 h SER 104 N 1.10 0.86 -0.63 3.07 4.64 -1.91 -0.35 113.55 120.32 3a16 h SER 104 Ca 0.26 -0.34 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 3a16 h SER 104 Cb 0.14 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 3a16 h SER 104 CO -0.03 1.08 0.11 -0.61 -0.87 0.00 0.00 176.83 176.51 3a16 h GLN 105 N 0.71 1.04 -0.47 4.77 -0.00 -1.40 -1.56 115.11 118.21 3a16 h GLN 105 Ca 0.09 -0.28 -0.04 0.00 -0.00 0.00 0.00 58.65 58.42 3a16 h GLN 105 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 28.15 3a16 h GLN 105 CO 0.07 0.96 0.13 1.25 0.00 0.00 0.00 178.83 181.25 3a16 h HIS 106 N 0.96 0.77 -0.81 3.99 2.76 -0.93 0.50 115.15 122.39 3a16 h HIS 106 Ca 0.19 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3a16 h HIS 106 Cb 0.42 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 3a16 h HIS 106 CO 0.03 0.69 0.53 0.00 -1.30 0.00 0.00 177.93 177.88 3a16 h ARG 107 N 0.63 1.05 -0.12 5.26 3.08 -0.96 -0.68 114.38 122.63 3a16 h ARG 107 Ca 0.15 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3a16 h ARG 107 Cb 0.29 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3a16 h ARG 107 CO -0.00 0.69 0.02 2.35 -1.07 0.00 0.00 179.97 181.96 3a16 h TRP 108 N 1.08 0.22 0.00 3.04 7.01 -0.93 -2.03 115.95 124.33 3a16 h TRP 108 Ca 0.31 -0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.19 3a16 h TRP 108 Cb -0.09 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 3a16 h TRP 108 CO -0.02 0.38 -0.41 0.77 -2.79 0.00 0.00 178.44 176.37 3a16 h SER 109 N -0.01 0.00 0.37 2.65 0.02 -0.70 -2.73 113.55 113.15 3a16 h SER 109 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3a16 h SER 109 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3a16 h SER 109 CO 0.00 0.41 -0.52 0.35 -1.14 0.00 0.00 176.83 175.93 3a16 n THR 110 N -3.92 0.00 -1.86 -2.27 -2.24 -0.28 -3.30 114.28 100.40 3a16 n THR 110 Ca -0.01 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.36 3a16 n THR 110 Cb 0.46 0.41 0.04 0.00 -2.10 0.00 0.00 70.33 69.14 3a16 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a16 s SER 111 N -2.89 5.17 0.16 3.42 1.04 -0.76 -4.66 113.70 115.17 3a16 s SER 111 Ca 0.13 2.62 -0.25 0.00 0.48 0.00 0.00 55.95 58.93 3a16 s SER 111 Cb 0.18 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.70 3a16 s SER 111 CO 0.69 -1.63 1.59 0.74 0.98 0.00 0.00 173.24 175.61 3a16 h THR 112 N 1.15 0.18 0.00 2.02 2.02 -1.91 0.13 112.91 116.51 3a16 h THR 112 Ca -0.51 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3a16 h THR 112 Cb 1.30 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3a16 h THR 112 CO 0.56 0.00 -0.12 1.55 0.37 0.00 0.00 175.52 177.89 3a16 h PRO 113 N -0.30 0.00 0.00 6.66 0.13 -1.93 -0.42 132.00 136.14 3a16 h PRO 113 Ca 0.15 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.15 3a16 h PRO 113 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 3a16 h PRO 113 CO -0.54 0.12 -0.80 0.82 -0.23 0.00 0.00 178.00 177.36 3a16 h ILE 114 N 0.00 0.91 -0.85 -3.56 1.08 -1.68 -3.30 117.51 110.12 3a16 h ILE 114 Ca -0.00 -1.97 -0.03 0.00 -0.39 0.00 0.00 64.86 62.47 3a16 h ILE 114 Cb 0.45 2.01 -0.04 0.00 -3.07 0.00 0.00 36.82 36.17 3a16 h ILE 114 CO 0.01 0.31 0.43 0.00 -0.69 0.00 0.00 178.15 178.21 3a16 h ALA 115 N -0.49 1.09 -0.33 1.87 0.00 -0.71 -2.41 119.26 118.28 3a16 h ALA 115 Ca -0.20 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3a16 h ALA 115 Cb 1.04 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3a16 h ALA 115 CO -0.12 0.64 -0.16 0.66 0.00 0.00 0.00 179.25 180.26 3a16 h SER 116 N 1.20 0.58 -0.07 0.00 4.64 -1.27 -1.50 113.55 117.13 3a16 h SER 116 Ca 0.29 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 3a16 h SER 116 Cb 0.09 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3a16 h SER 116 CO -0.04 0.76 -0.02 -0.25 -0.87 0.00 0.00 176.83 176.41 3a16 h TRP 117 N 0.53 0.16 -0.08 4.77 7.01 -1.59 -2.41 115.95 124.35 3a16 h TRP 117 Ca 0.09 -0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.97 3a16 h TRP 117 Cb 0.58 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 3a16 h TRP 117 CO 0.02 0.47 -0.35 2.35 -2.79 0.00 0.00 178.44 178.13 3a16 h TRP 118 N -0.19 0.18 -0.01 2.65 2.91 -1.26 -3.00 115.95 117.23 3a16 h TRP 118 Ca 0.02 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.00 3a16 h TRP 118 Cb 0.41 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 3a16 h TRP 118 CO 0.05 0.50 -0.29 0.39 -1.03 0.00 0.00 178.44 178.06 3a16 n GLU 119 N -4.08 1.02 -1.97 2.65 1.02 -0.58 -4.93 120.64 113.77 3a16 n GLU 119 Ca -0.01 -0.69 -0.38 0.00 -0.02 0.00 0.00 57.16 56.06 3a16 n GLU 119 Cb 0.42 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.37 3a16 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a16 s SER 120 N -2.45 5.77 0.59 1.62 0.15 -0.91 -4.90 113.70 113.58 3a16 s SER 120 Ca 0.24 2.63 0.37 0.00 0.70 0.00 0.00 55.95 59.89 3a16 s SER 120 Cb 0.19 -2.63 1.72 0.00 -1.71 0.00 0.00 66.02 63.59 3a16 s SER 120 CO 0.52 -1.22 2.11 -0.33 1.20 0.00 0.00 173.24 175.52 3a16 h GLU 121 N 1.93 0.00 -0.29 5.44 3.07 -1.90 -2.50 114.58 120.33 3a16 h GLU 121 Ca -0.50 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.36 3a16 h GLU 121 Cb 1.27 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.17 3a16 h GLU 121 CO 0.59 0.00 0.19 -0.44 -1.40 0.00 0.00 179.01 177.96 3a16 h ASP 122 N 0.00 0.32 -0.35 1.42 5.19 -1.92 -1.41 116.42 119.67 3a16 h ASP 122 Ca -0.00 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3a16 h ASP 122 Cb 0.35 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 3a16 h ASP 122 CO 0.00 0.23 0.22 0.03 -3.12 0.00 0.00 179.24 176.61 3a16 h ARG 123 N 0.38 0.48 0.01 3.56 2.47 -1.74 0.15 114.38 119.69 3a16 h ARG 123 Ca 0.11 -0.03 -0.20 0.00 -1.26 0.00 0.00 59.98 58.60 3a16 h ARG 123 Cb -0.03 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.17 3a16 h ARG 123 CO -0.02 0.33 -0.90 -0.07 0.56 0.00 0.00 179.97 179.87 3a16 h LEU 124 N 0.49 0.17 0.00 3.04 3.38 -1.43 -3.34 115.31 117.61 3a16 h LEU 124 Ca 0.13 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a16 h LEU 124 Cb -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3a16 h LEU 124 CO -0.03 0.98 -0.90 -1.54 0.09 0.00 0.00 178.44 177.05 3a16 n SER 125 N -3.59 0.71 0.08 -0.43 3.41 -0.86 -4.23 113.62 108.72 3a16 n SER 125 Ca -0.03 -0.53 0.09 0.00 -0.26 0.00 0.00 58.87 58.14 3a16 n SER 125 Cb 0.83 0.76 0.55 0.00 -0.26 0.00 0.00 64.21 66.10 3a16 n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3a16 h ASP 126 N 0.00 0.22 0.00 4.04 3.32 -0.85 -3.46 116.42 119.69 3a16 h ASP 126 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a16 h ASP 126 Cb 0.58 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3a16 h ASP 126 CO 0.00 0.15 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 3a16 n GLY 127 N -1.53 3.05 3.82 2.75 0.00 -1.26 -5.03 105.19 107.00 3a16 n GLY 127 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3a16 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a16 s LEU 128 N 0.00 3.31 0.14 0.99 1.43 -1.26 -5.00 118.68 118.29 3a16 s LEU 128 Ca 0.00 1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 54.62 3a16 s LEU 128 Cb 0.00 -4.50 -0.07 0.00 0.03 0.00 0.00 46.19 41.65 3a16 s LEU 128 CO 0.00 -1.18 0.51 -0.83 0.23 0.00 0.00 176.35 175.07 3a16 s GLY 129 N -3.47 2.40 0.01 -3.19 0.00 0.29 -4.71 107.32 98.66 3a16 s GLY 129 Ca 0.59 -0.22 0.03 0.00 0.00 0.00 0.00 44.72 45.12 3a16 s GLY 129 CO 0.47 0.02 -0.08 -1.36 0.00 0.00 0.00 173.10 172.14 3a16 s PHE 130 N -1.51 0.75 0.04 1.90 0.08 -0.15 -0.52 117.98 118.58 3a16 s PHE 130 Ca 0.38 -0.25 -0.07 0.00 0.12 0.00 0.00 56.93 57.11 3a16 s PHE 130 Cb -0.14 -0.46 -0.01 0.00 -0.57 0.00 0.00 43.02 41.84 3a16 s PHE 130 CO 0.19 -0.02 0.14 -0.59 -0.10 0.00 0.00 175.22 174.84 3a16 s PHE 131 N -0.58 0.15 -0.11 0.36 -0.12 -0.84 -0.03 117.98 116.82 3a16 s PHE 131 Ca -0.01 -0.45 -0.01 0.00 -0.05 0.00 0.00 56.93 56.42 3a16 s PHE 131 Cb -0.05 -0.10 0.03 0.00 -0.63 0.00 0.00 43.02 42.26 3a16 s PHE 131 CO 0.00 -0.41 -0.06 1.03 -0.05 0.00 0.00 175.22 175.74 3a16 s ARG 132 N -2.75 1.32 -0.43 1.99 0.52 0.01 -0.79 118.95 118.82 3a16 s ARG 132 Ca -0.04 -0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 3a16 s ARG 132 Cb -0.00 -1.51 0.12 0.00 0.52 0.00 0.00 34.95 34.08 3a16 s ARG 132 CO -0.05 -0.29 0.16 -1.21 0.02 0.00 0.00 175.30 173.92 3a16 s GLU 133 N 1.76 1.67 -0.18 3.54 2.02 0.05 -0.37 118.70 127.19 3a16 s GLU 133 Ca 0.05 -2.20 -0.01 0.00 0.02 0.00 0.00 54.97 52.82 3a16 s GLU 133 Cb -0.13 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.93 3a16 s GLU 133 CO -0.08 -1.03 -0.12 0.42 0.02 0.00 0.00 175.26 174.47 3a16 s ILE 134 N 0.35 2.80 0.02 -1.63 1.01 -0.06 -1.11 121.20 122.58 3a16 s ILE 134 Ca 0.14 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3a16 s ILE 134 Cb -0.22 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 3a16 s ILE 134 CO -0.05 0.49 -0.08 0.68 0.00 0.00 0.00 174.94 175.99 3a16 s VAL 135 N 1.12 0.57 -0.44 2.92 -7.23 -0.45 -0.81 120.40 116.09 3a16 s VAL 135 Ca 0.01 -0.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 3a16 s VAL 135 Cb -0.14 -0.57 0.15 0.00 0.56 0.00 0.00 36.38 36.38 3a16 s VAL 135 CO -0.04 -0.14 0.29 0.00 -0.31 0.00 0.00 175.10 174.90 3a16 s ALA 136 N -0.84 1.79 0.25 1.32 0.00 0.27 -0.42 121.76 124.13 3a16 s ALA 136 Ca -0.04 -2.50 -0.30 0.00 0.00 0.00 0.00 51.96 49.12 3a16 s ALA 136 Cb -0.07 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.21 3a16 s ALA 136 CO 0.00 -2.05 0.96 -1.25 0.00 0.00 0.00 175.76 173.42 3a16 s PRO 137 N 0.24 4.83 0.97 0.00 0.04 -1.21 -4.83 135.00 135.05 3a16 s PRO 137 Ca 0.23 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 3a16 s PRO 137 Cb -0.13 -3.26 0.18 0.00 0.04 0.00 0.00 34.50 31.32 3a16 s PRO 137 CO -0.08 0.48 1.09 1.03 0.04 0.00 0.00 177.00 179.57 3a16 s ARG 138 N -1.22 0.59 0.43 4.56 0.52 -1.26 -1.98 118.95 120.58 3a16 s ARG 138 Ca 0.42 1.12 0.11 0.00 -0.52 0.00 0.00 55.73 56.86 3a16 s ARG 138 Cb -0.27 -1.71 0.97 0.00 0.52 0.00 0.00 34.95 34.46 3a16 s ARG 138 CO 0.33 -2.79 2.01 0.00 0.02 0.00 0.00 175.30 174.87 3a16 h ALA 139 N -1.96 1.90 0.00 2.13 0.00 -1.39 0.14 119.26 120.08 3a16 h ALA 139 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3a16 h ALA 139 Cb 1.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3a16 h ALA 139 CO 0.48 0.01 0.00 -0.85 0.00 0.00 0.00 179.25 178.90 3a16 n GLU 140 N -4.47 0.24 -0.16 0.00 0.28 -1.26 -3.91 120.64 111.35 3a16 n GLU 140 Ca 0.07 0.07 0.05 0.00 -0.16 0.00 0.00 57.16 57.19 3a16 n GLU 140 Cb 0.25 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.75 3a16 n GLU 140 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3a16 n GLN 141 N -1.35 2.86 -4.00 3.44 6.02 0.50 -1.41 117.38 123.44 3a16 n GLN 141 Ca 0.10 -2.02 -0.09 0.00 -0.01 0.00 0.00 57.00 54.98 3a16 n GLN 141 Cb 0.22 -1.27 -0.10 0.00 1.02 0.00 0.00 30.24 30.10 3a16 n GLN 141 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3a16 s PHE 142 N -1.24 0.31 0.11 1.08 -0.12 -1.22 -0.62 117.98 116.28 3a16 s PHE 142 Ca 0.20 -0.65 0.04 0.00 -0.05 0.00 0.00 56.93 56.47 3a16 s PHE 142 Cb 0.12 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 3a16 s PHE 142 CO 0.11 -0.28 -0.11 -1.83 -0.05 0.00 0.00 175.22 173.06 3a16 s GLU 143 N -2.34 0.92 0.10 1.99 4.04 0.30 -4.65 118.70 119.06 3a16 s GLU 143 Ca -0.08 -1.21 0.07 0.00 0.04 0.00 0.00 54.97 53.79 3a16 s GLU 143 Cb -0.03 -0.65 -0.03 0.00 0.02 0.00 0.00 34.13 33.43 3a16 s GLU 143 CO -0.04 0.11 -0.17 0.95 -1.84 0.00 0.00 175.26 174.27 3a16 s THR 144 N -2.43 1.42 -0.08 1.83 -4.23 -1.26 -1.06 115.64 109.83 3a16 s THR 144 Ca 0.07 -1.55 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 3a16 s THR 144 Cb -0.03 -1.41 0.04 0.00 1.34 0.00 0.00 72.50 72.44 3a16 s THR 144 CO 0.01 -0.23 0.18 -0.22 -0.54 0.00 0.00 174.62 173.81 3a16 s LEU 145 N -2.07 0.38 -0.06 4.79 2.96 -0.31 -4.65 118.68 119.73 3a16 s LEU 145 Ca 0.05 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 3a16 s LEU 145 Cb -0.08 0.44 0.00 0.00 0.50 0.00 0.00 46.19 47.05 3a16 s LEU 145 CO 0.03 -0.18 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.39 3a16 s TYR 146 N 1.57 1.93 -0.43 5.38 2.02 0.70 -0.63 117.35 127.88 3a16 s TYR 146 Ca -0.05 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.01 3a16 s TYR 146 Cb -0.12 -1.31 0.17 0.00 -0.40 0.00 0.00 41.96 40.30 3a16 s TYR 146 CO -0.07 -0.26 1.01 0.00 -1.57 0.00 0.00 175.55 174.67 3a16 n ALA 147 N 3.38 3.02 -3.84 3.71 0.00 -0.20 -0.86 120.51 125.72 3a16 n ALA 147 Ca -0.19 -0.55 -0.06 0.00 0.00 0.00 0.00 53.44 52.63 3a16 n ALA 147 Cb 0.53 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 3a16 n ALA 147 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3a16 s PHE 148 N -1.03 -0.15 -0.04 0.00 -0.71 -1.26 -4.79 117.98 110.00 3a16 s PHE 148 Ca 0.13 -0.30 0.07 0.00 -1.04 0.00 0.00 56.93 55.79 3a16 s PHE 148 Cb 0.10 0.71 -0.11 0.00 -1.21 0.00 0.00 43.02 42.51 3a16 s PHE 148 CO 0.03 -1.18 0.10 1.04 -1.34 0.00 0.00 175.22 173.87 3a16 n GLN 149 N -0.47 1.57 -4.25 1.99 6.02 -1.26 -4.60 117.38 116.38 3a16 n GLN 149 Ca -0.05 -0.04 -0.32 0.00 -0.01 0.00 0.00 57.00 56.59 3a16 n GLN 149 Cb 0.59 -1.19 -0.09 0.00 1.02 0.00 0.00 30.24 30.57 3a16 n GLN 149 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3a16 s GLU 150 N -2.36 2.68 -1.02 -1.09 1.03 -1.26 -4.77 118.70 111.91 3a16 s GLU 150 Ca -0.03 -0.70 -0.09 0.00 0.03 0.00 0.00 54.97 54.17 3a16 s GLU 150 Cb 0.04 -2.60 -0.04 0.00 -0.80 0.00 0.00 34.13 30.72 3a16 s GLU 150 CO 0.32 0.59 0.84 -0.25 -1.33 0.00 0.00 175.26 175.43 3a16 n ASP 151 N 1.12 -6.40 -4.72 0.83 8.00 -1.26 -4.89 116.55 109.23 3a16 n ASP 151 Ca -0.13 -0.71 -0.42 0.00 0.71 0.00 0.00 54.79 54.24 3a16 n ASP 151 Cb 0.52 -4.58 -0.03 0.00 -0.02 0.00 0.00 41.12 37.01 3a16 n ASP 151 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a16 s LEU 152 N -5.47 4.37 0.76 0.64 1.43 -1.26 -5.03 118.68 114.13 3a16 s LEU 152 Ca 0.38 2.54 -0.08 0.00 -1.03 0.00 0.00 54.13 55.94 3a16 s LEU 152 Cb -0.08 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.65 3a16 s LEU 152 CO 0.78 -0.77 1.08 -2.16 0.23 0.00 0.00 176.35 175.51 3a16 s PRO 153 N 1.09 1.79 5.88 1.29 0.04 -1.26 -3.42 135.00 140.41 3a16 s PRO 153 Ca 0.68 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.31 3a16 s PRO 153 Cb -0.42 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3a16 s PRO 153 CO 0.31 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.24 3a16 n GLY 154 N -3.09 2.98 0.21 0.56 0.00 -1.26 -2.49 105.19 102.11 3a16 n GLY 154 Ca 0.11 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.81 3a16 n GLY 154 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a16 h VAL 155 N 0.00 1.14 -0.38 1.61 3.04 -1.99 -1.79 116.25 117.88 3a16 h VAL 155 Ca 0.00 -0.81 0.11 0.00 -1.01 0.00 0.00 66.70 64.99 3a16 h VAL 155 Cb 0.00 1.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.70 3a16 h VAL 155 CO 0.00 0.23 0.31 1.23 -1.01 0.00 0.00 177.57 178.33 3a16 h GLY 156 N 0.73 0.00 2.00 3.17 0.00 -1.78 -1.06 103.07 106.13 3a16 h GLY 156 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3a16 h GLY 156 CO 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.35 3a16 h ALA 157 N 1.74 1.24 -0.03 3.60 0.00 -1.34 -2.69 119.26 121.79 3a16 h ALA 157 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a16 h ALA 157 Cb 0.79 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3a16 h ALA 157 CO -0.00 0.27 -0.11 1.33 0.00 0.00 0.00 179.25 180.75 3a16 n VAL 158 N -3.70 0.00 -1.95 0.00 0.24 -0.41 -4.94 118.33 107.57 3a16 n VAL 158 Ca -0.01 -0.43 -0.28 0.00 -2.04 0.00 0.00 64.34 61.58 3a16 n VAL 158 Cb 0.33 1.38 0.19 0.00 -1.47 0.00 0.00 33.84 34.27 3a16 n VAL 158 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3a16 n MET 159 N 0.96 -1.16 -0.00 7.34 2.81 -1.01 -4.94 117.12 121.12 3a16 n MET 159 Ca 0.13 -2.04 -0.11 0.00 -1.81 0.00 0.00 57.70 53.87 3a16 n MET 159 Cb 0.56 -1.27 -0.14 0.00 -0.71 0.00 0.00 33.22 31.66 3a16 n MET 159 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3a16 h ASP 160 N -1.60 0.08 -0.03 7.83 3.32 -0.47 -3.49 116.42 122.05 3a16 h ASP 160 Ca -0.41 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.48 3a16 h ASP 160 Cb 1.15 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3a16 h ASP 160 CO 0.30 1.14 0.00 0.61 -1.72 0.00 0.00 179.24 179.57 3a16 n GLY 161 N 1.60 0.90 3.61 2.75 0.00 -0.84 -5.00 105.19 108.21 3a16 n GLY 161 Ca -0.17 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 3a16 n GLY 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a16 s ILE 162 N -2.13 3.54 0.95 -0.61 1.10 -1.26 -0.55 121.20 122.24 3a16 s ILE 162 Ca 0.00 -1.17 -0.16 0.00 -0.51 0.00 0.00 60.65 58.81 3a16 s ILE 162 Cb 0.00 -2.66 0.19 0.00 0.15 0.00 0.00 42.46 40.14 3a16 s ILE 162 CO 0.00 0.13 1.30 -0.94 -2.11 0.00 0.00 174.94 173.31 3a16 s SER 163 N -2.19 3.19 0.96 4.50 1.04 -0.02 -4.78 113.70 116.40 3a16 s SER 163 Ca 0.22 0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.96 3a16 s SER 163 Cb -0.11 -0.46 0.07 0.00 0.10 0.00 0.00 66.02 65.62 3a16 s SER 163 CO 0.15 -2.70 0.40 0.61 0.98 0.00 0.00 173.24 172.68 3a16 n GLY 164 N -3.58 -1.11 3.72 7.32 0.00 -1.26 -4.74 105.19 105.54 3a16 n GLY 164 Ca 0.14 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 3a16 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a16 s GLU 165 N -3.85 4.14 0.11 1.61 2.02 -1.26 -4.54 118.70 116.94 3a16 s GLU 165 Ca 0.23 2.57 0.03 0.00 0.02 0.00 0.00 54.97 57.82 3a16 s GLU 165 Cb -0.01 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 3a16 s GLU 165 CO 0.16 -0.74 0.14 0.96 0.02 0.00 0.00 175.26 175.81 3a16 s ILE 166 N 1.29 4.76 0.03 -1.63 -4.36 -0.84 -3.42 121.20 117.02 3a16 s ILE 166 Ca 0.74 -0.79 -0.17 0.00 -0.26 0.00 0.00 60.65 60.17 3a16 s ILE 166 Cb -0.48 -3.36 -0.27 0.00 1.25 0.00 0.00 42.46 39.60 3a16 s ILE 166 CO 0.32 0.03 1.08 -1.13 0.24 0.00 0.00 174.94 175.48 3a16 h ASN 167 N 2.83 0.72 -0.45 4.36 -0.73 -1.53 -3.42 115.58 117.37 3a16 h ASN 167 Ca -0.47 -0.81 -0.72 0.00 1.87 0.00 0.00 56.30 56.17 3a16 h ASN 167 Cb 1.18 -0.23 -0.07 0.00 0.27 0.00 0.00 38.32 39.47 3a16 h ASN 167 CO 0.67 1.45 2.82 -0.62 -0.37 0.00 0.00 177.43 181.38 3a16 n GLU 168 N -3.98 3.17 -3.71 6.67 4.71 -1.26 -4.58 120.64 121.66 3a16 n GLU 168 Ca -0.12 -2.89 -0.09 0.00 -0.01 0.00 0.00 57.16 54.05 3a16 n GLU 168 Cb 0.85 -3.14 -0.02 0.00 -1.01 0.00 0.00 31.44 28.12 3a16 n GLU 168 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 3a16 s HIS 169 N 2.17 -0.27 0.00 -0.32 -3.43 -1.26 -4.70 115.29 107.47 3a16 s HIS 169 Ca 0.46 -0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.63 3a16 s HIS 169 Cb 0.13 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 31.89 3a16 s HIS 169 CO -0.06 -1.07 0.00 0.41 -2.00 0.00 0.00 174.74 172.02 3a16 n GLY 170 N -0.42 0.82 3.40 -1.38 0.00 -1.26 -4.66 105.19 101.68 3a16 n GLY 170 Ca -0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 3a16 n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a16 s TYR 171 N -2.00 -0.51 0.24 1.61 1.13 -1.26 -4.97 117.35 111.58 3a16 s TYR 171 Ca 0.00 1.16 -0.31 0.00 -1.41 0.00 0.00 57.07 56.51 3a16 s TYR 171 Cb 0.00 0.21 -0.11 0.00 -1.10 0.00 0.00 41.96 40.95 3a16 s TYR 171 CO 0.00 -0.34 1.65 -1.58 -2.51 0.00 0.00 175.55 172.78 3a16 s TRP 172 N -0.18 2.87 0.00 -3.49 0.52 -1.26 -1.40 118.94 116.00 3a16 s TRP 172 Ca -0.04 0.55 0.00 0.00 0.02 0.00 0.00 56.10 56.63 3a16 s TRP 172 Cb -0.03 -4.08 0.00 0.00 -1.15 0.00 0.00 33.47 28.20 3a16 s TRP 172 CO 0.03 -3.92 0.00 0.41 0.02 0.00 0.00 176.95 173.48 3a16 n GLY 173 N 3.25 0.06 0.25 0.98 0.00 -1.26 -4.96 105.19 103.51 3a16 n GLY 173 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 3a16 n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a16 h SER 174 N 0.00 0.55 -0.12 1.61 4.64 -1.56 -2.88 113.55 115.78 3a16 h SER 174 Ca 0.00 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3a16 h SER 174 Cb 0.00 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 3a16 h SER 174 CO 0.00 0.75 -0.13 -0.03 -0.87 0.00 0.00 176.83 176.55 3a16 h MET 175 N 0.50 -0.15 -0.79 4.77 -1.53 -1.84 -0.64 114.93 115.26 3a16 h MET 175 Ca 0.08 0.01 0.14 0.00 -3.44 0.00 0.00 59.70 56.50 3a16 h MET 175 Cb 0.61 0.03 -0.09 0.00 -0.55 0.00 0.00 31.60 31.60 3a16 h MET 175 CO 0.04 -0.10 0.35 -0.09 0.14 0.00 0.00 176.91 177.25 3a16 h ARG 176 N -0.16 0.49 0.00 0.39 2.43 -1.94 -1.87 114.38 113.73 3a16 h ARG 176 Ca 0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3a16 h ARG 176 Cb 0.28 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3a16 h ARG 176 CO -0.22 0.32 0.00 0.93 -1.51 0.00 0.00 179.97 179.50 3a16 h GLU 177 N 0.51 0.00 0.00 0.20 5.08 -0.94 -1.96 114.58 117.47 3a16 h GLU 177 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3a16 h GLU 177 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3a16 h GLU 177 CO -0.39 0.00 -0.16 0.00 -1.00 0.00 0.00 179.01 177.46 3a16 h ARG 178 N 0.00 0.00 -6.17 2.33 3.08 -0.51 -3.44 114.38 109.67 3a16 h ARG 178 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3a16 h ARG 178 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3a16 h ARG 178 CO 0.00 0.00 0.94 -0.06 -1.07 0.00 0.00 179.97 179.78 3a16 s PHE 179 N -3.15 2.67 0.29 3.04 0.40 -0.74 -4.60 117.98 115.90 3a16 s PHE 179 Ca 0.08 0.84 0.05 0.00 -0.60 0.00 0.00 56.93 57.30 3a16 s PHE 179 Cb 0.11 -3.59 0.72 0.00 0.51 0.00 0.00 43.02 40.77 3a16 s PHE 179 CO 0.65 -2.13 1.74 -1.35 0.70 0.00 0.00 175.22 174.83 3a16 h PRO 180 N 8.46 0.59 0.00 0.24 0.11 -1.82 -1.14 132.00 138.45 3a16 h PRO 180 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3a16 h PRO 180 Cb 1.12 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3a16 h PRO 180 CO 0.97 0.39 0.00 0.97 -0.21 0.00 0.00 178.00 180.12 3a16 h ILE 181 N 0.61 0.00 0.00 4.15 2.10 -1.59 -2.34 117.51 120.44 3a16 h ILE 181 Ca 0.56 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 66.29 3a16 h ILE 181 Cb 0.95 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 3a16 h ILE 181 CO -0.43 0.00 0.00 0.77 -1.08 0.00 0.00 178.15 177.41 3a16 h SER 182 N 0.00 0.00 0.58 2.19 4.64 -1.36 0.42 113.55 120.02 3a16 h SER 182 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3a16 h SER 182 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3a16 h SER 182 CO 0.00 0.00 -0.22 1.56 -0.87 0.00 0.00 176.83 177.30 3a16 h GLN 183 N 0.00 0.00 0.00 4.77 4.20 -1.60 -3.36 115.11 119.12 3a16 h GLN 183 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3a16 h GLN 183 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3a16 h GLN 183 CO 0.00 0.22 -0.14 0.25 -0.67 0.00 0.00 178.83 178.49 3a16 n THR 184 N -3.62 0.00 -4.36 -0.54 -2.24 -0.64 -1.53 114.28 101.35 3a16 n THR 184 Ca -0.01 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 3a16 n THR 184 Cb 0.35 0.52 -0.14 0.00 -2.10 0.00 0.00 70.33 68.96 3a16 n THR 184 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a16 s ASP 185 N -0.39 1.28 0.06 3.42 -1.08 0.14 -4.81 116.67 115.27 3a16 s ASP 185 Ca 0.00 -0.30 0.26 0.00 -0.52 0.00 0.00 52.55 51.99 3a16 s ASP 185 Cb 0.00 -0.11 1.05 0.00 -1.46 0.00 0.00 42.92 42.40 3a16 s ASP 185 CO 0.00 0.06 1.82 0.79 0.52 0.00 0.00 175.17 178.36 3a16 n TRP 186 N 2.42 0.24 -3.97 -5.34 7.02 -1.26 -4.14 117.44 112.42 3a16 n TRP 186 Ca -0.16 0.08 -0.26 0.00 -1.02 0.00 0.00 57.50 56.13 3a16 n TRP 186 Cb 0.56 -0.62 -0.02 0.00 -2.42 0.00 0.00 31.31 28.81 3a16 n TRP 186 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3a16 n MET 187 N -1.70 -3.47 -2.63 -0.99 2.81 -1.26 -4.90 117.12 104.97 3a16 n MET 187 Ca 0.06 0.42 -0.42 0.00 -1.81 0.00 0.00 57.70 55.95 3a16 n MET 187 Cb 0.33 -4.67 -0.03 0.00 -0.71 0.00 0.00 33.22 28.14 3a16 n MET 187 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3a16 s GLN 188 N -6.56 4.53 0.41 0.03 0.74 -1.26 -4.59 119.66 112.95 3a16 s GLN 188 Ca 0.12 1.52 -0.25 0.00 0.05 0.00 0.00 55.36 56.80 3a16 s GLN 188 Cb -0.06 -3.42 -0.08 0.00 1.10 0.00 0.00 33.01 30.54 3a16 s GLN 188 CO 0.89 -0.10 1.19 0.00 -0.55 0.00 0.00 175.29 176.71 3a16 s ALA 189 N 0.99 3.14 0.01 1.58 0.00 -1.26 -4.60 121.76 121.61 3a16 s ALA 189 Ca 0.54 1.00 -0.18 0.00 0.00 0.00 0.00 51.96 53.31 3a16 s ALA 189 Cb -0.24 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.52 3a16 s ALA 189 CO 0.28 -0.59 0.40 -1.54 0.00 0.00 0.00 175.76 174.32 3a16 s SER 190 N -1.12 -0.29 0.00 0.00 1.04 -1.15 -5.03 113.70 107.16 3a16 s SER 190 Ca 0.58 0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.12 3a16 s SER 190 Cb -0.31 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3a16 s SER 190 CO 0.39 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3a16 n GLY 191 N 0.85 -2.68 3.41 7.32 0.00 -1.26 -2.79 105.19 110.04 3a16 n GLY 191 Ca -0.20 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 3a16 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a16 s GLU 192 N -0.56 1.48 -0.34 1.61 8.01 -1.26 -4.93 118.70 122.71 3a16 s GLU 192 Ca 0.00 -1.42 -0.29 0.00 0.01 0.00 0.00 54.97 53.27 3a16 s GLU 192 Cb 0.00 -1.89 0.01 0.00 -4.31 0.00 0.00 34.13 27.94 3a16 s GLU 192 CO 0.00 0.43 1.27 -1.17 0.01 0.00 0.00 175.26 175.80 3a16 s LEU 193 N -2.36 3.82 -0.07 1.80 2.96 -1.26 -4.03 118.68 119.53 3a16 s LEU 193 Ca 0.17 1.05 0.04 0.00 -0.22 0.00 0.00 54.13 55.17 3a16 s LEU 193 Cb -0.09 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3a16 s LEU 193 CO 0.08 -1.13 -0.18 -0.13 -1.32 0.00 0.00 176.35 173.67 3a16 s ARG 194 N 4.25 2.25 0.05 1.98 0.52 -0.82 -0.49 118.95 126.68 3a16 s ARG 194 Ca 0.55 -0.66 -0.31 0.00 -0.52 0.00 0.00 55.73 54.79 3a16 s ARG 194 Cb -0.15 -1.81 -0.07 0.00 0.52 0.00 0.00 34.95 33.45 3a16 s ARG 194 CO 0.24 0.16 1.46 0.08 0.02 0.00 0.00 175.30 177.27 3a16 s VAL 195 N 0.33 3.43 -0.17 3.52 1.01 0.46 -0.54 120.40 128.43 3a16 s VAL 195 Ca -0.12 0.90 0.07 0.00 0.00 0.00 0.00 61.98 62.82 3a16 s VAL 195 Cb -0.15 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 3a16 s VAL 195 CO 0.05 0.02 0.23 2.30 0.00 0.00 0.00 175.10 177.70 3a16 n ILE 196 N 4.50 0.00 -3.73 2.22 -5.35 0.27 -4.69 119.36 112.59 3a16 n ILE 196 Ca 0.13 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.23 3a16 n ILE 196 Cb 0.42 0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 38.90 3a16 n ILE 196 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a16 s ALA 197 N -2.08 -1.04 0.00 -1.28 0.00 -1.11 -4.97 121.76 111.29 3a16 s ALA 197 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3a16 s ALA 197 Cb 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3a16 s ALA 197 CO 0.29 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.26 3a16 n GLY 198 N 2.75 -2.17 2.77 0.00 0.00 -1.26 -0.60 105.19 106.68 3a16 n GLY 198 Ca -0.14 -1.57 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 3a16 n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a16 s ASP 199 N -3.46 0.94 0.38 1.61 -1.08 -1.26 -4.91 116.67 108.89 3a16 s ASP 199 Ca 0.00 0.21 0.07 0.00 -0.52 0.00 0.00 52.55 52.31 3a16 s ASP 199 Cb 0.00 0.13 0.78 0.00 -1.46 0.00 0.00 42.92 42.37 3a16 s ASP 199 CO 0.00 -0.25 1.98 -0.65 0.52 0.00 0.00 175.17 176.77 3a16 h PRO 200 N 8.39 0.68 0.00 4.34 0.11 -1.92 -1.93 132.00 141.66 3a16 h PRO 200 Ca -0.13 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3a16 h PRO 200 Cb 1.12 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3a16 h PRO 200 CO 0.15 0.45 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 3a16 h ALA 201 N 1.64 1.00 0.00 -0.75 0.00 -1.96 -2.90 119.26 116.29 3a16 h ALA 201 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3a16 h ALA 201 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a16 h ALA 201 CO -0.08 0.00 -1.62 0.28 0.00 0.00 0.00 179.25 177.82 3a16 n VAL 202 N -3.08 0.50 -3.54 0.00 0.31 -0.75 -5.07 118.33 106.70 3a16 n VAL 202 Ca -0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 3a16 n VAL 202 Cb 0.23 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 3a16 n VAL 202 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a16 n GLY 203 N 1.30 -0.18 7.00 2.92 0.00 -1.08 -5.04 105.19 110.11 3a16 n GLY 203 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3a16 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a16 n GLY 204 N 0.00 1.10 3.65 -0.02 0.00 -1.26 -4.56 105.19 104.10 3a16 n GLY 204 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 3a16 n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a16 s ARG 205 N 0.00 4.20 -0.02 1.61 0.52 -1.26 -0.98 118.95 123.02 3a16 s ARG 205 Ca 0.00 0.73 0.06 0.00 -0.52 0.00 0.00 55.73 56.00 3a16 s ARG 205 Cb 0.00 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 3a16 s ARG 205 CO 0.00 -0.34 -0.19 0.08 0.02 0.00 0.00 175.30 174.87 3a16 s VAL 206 N 2.23 1.55 -0.12 3.52 1.01 0.48 -4.19 120.40 124.88 3a16 s VAL 206 Ca 0.31 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3a16 s VAL 206 Cb -0.16 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3a16 s VAL 206 CO 0.10 0.44 -0.20 -0.69 0.00 0.00 0.00 175.10 174.75 3a16 s VAL 207 N -0.35 1.86 -0.07 2.92 1.01 0.23 -0.48 120.40 125.52 3a16 s VAL 207 Ca 0.05 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3a16 s VAL 207 Cb -0.09 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3a16 s VAL 207 CO 0.00 0.51 -0.23 -0.69 0.00 0.00 0.00 175.10 174.69 3a16 s VAL 208 N 0.83 2.18 -0.15 2.92 1.01 0.65 -0.57 120.40 127.28 3a16 s VAL 208 Ca -0.08 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 3a16 s VAL 208 Cb -0.16 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 3a16 s VAL 208 CO -0.01 0.57 0.10 -0.60 0.00 0.00 0.00 175.10 175.16 3a16 s ARG 209 N -0.04 3.66 1.04 2.72 3.52 0.30 -2.11 118.95 128.03 3a16 s ARG 209 Ca -0.07 -0.24 -0.12 0.00 -0.13 0.00 0.00 55.73 55.17 3a16 s ARG 209 Cb -0.15 -3.18 0.21 0.00 -1.56 0.00 0.00 34.95 30.27 3a16 s ARG 209 CO 0.05 0.55 1.08 0.20 -0.81 0.00 0.00 175.30 176.36 3a16 s GLY 210 N -0.38 1.56 0.32 8.12 0.00 -1.26 -1.95 107.32 113.74 3a16 s GLY 210 Ca 0.10 -0.27 0.09 0.00 0.00 0.00 0.00 44.72 44.64 3a16 s GLY 210 CO 0.01 0.36 0.05 -2.38 0.00 0.00 0.00 173.10 171.14 3a16 s HIS 211 N -2.83 2.62 0.24 1.90 -3.43 -1.26 -4.61 115.29 107.93 3a16 s HIS 211 Ca 0.66 -0.37 -0.31 0.00 -0.80 0.00 0.00 55.06 54.24 3a16 s HIS 211 Cb -0.20 -1.46 -0.14 0.00 -1.43 0.00 0.00 32.58 29.35 3a16 s HIS 211 CO 0.59 0.47 1.26 -0.25 -2.00 0.00 0.00 174.74 174.81 3a16 n ASP 212 N -1.00 2.13 -2.52 7.38 8.00 -1.12 -2.78 116.55 126.65 3a16 n ASP 212 Ca -0.04 1.16 -0.20 0.00 0.71 0.00 0.00 54.79 56.41 3a16 n ASP 212 Cb 0.61 -1.36 -0.00 0.00 -0.02 0.00 0.00 41.12 40.35 3a16 n ASP 212 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a16 n ASN 213 N 1.78 -5.76 -4.64 -2.24 3.02 0.93 -2.91 115.26 105.44 3a16 n ASN 213 Ca 0.11 -0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 3a16 n ASN 213 Cb 0.30 -4.77 0.01 0.00 -0.61 0.00 0.00 39.78 34.71 3a16 n ASN 213 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3a16 n ILE 214 N -4.04 2.49 -4.77 2.41 5.41 -1.12 -4.12 119.36 115.63 3a16 n ILE 214 Ca -0.21 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.71 3a16 n ILE 214 Cb 0.67 -1.29 -0.12 0.00 -0.71 0.00 0.00 39.64 38.18 3a16 n ILE 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3a16 s ALA 215 N -1.24 2.72 -0.12 -1.39 0.00 -0.56 -3.05 121.76 118.12 3a16 s ALA 215 Ca 0.62 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.57 3a16 s ALA 215 Cb -0.55 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 21.63 3a16 s ALA 215 CO 0.57 0.57 -0.16 -1.17 0.00 0.00 0.00 175.76 175.57 3a16 s LEU 216 N -0.99 1.78 -0.13 0.00 2.96 0.04 -0.26 118.68 122.09 3a16 s LEU 216 Ca 0.13 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3a16 s LEU 216 Cb -0.11 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 3a16 s LEU 216 CO 0.03 0.01 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.47 3a16 s ILE 217 N 1.06 3.41 -0.31 6.68 2.07 -0.31 -1.09 121.20 132.71 3a16 s ILE 217 Ca -0.04 -0.54 -0.00 0.00 -1.41 0.00 0.00 60.65 58.65 3a16 s ILE 217 Cb -0.15 -2.44 0.07 0.00 0.13 0.00 0.00 42.46 40.07 3a16 s ILE 217 CO -0.03 0.53 0.01 -0.60 -1.91 0.00 0.00 174.94 172.93 3a16 s ARG 218 N 0.14 2.22 -0.21 3.50 3.52 -0.06 -1.09 118.95 126.97 3a16 s ARG 218 Ca -0.05 -1.43 -0.03 0.00 -0.13 0.00 0.00 55.73 54.10 3a16 s ARG 218 Cb -0.14 -3.17 -0.00 0.00 -1.56 0.00 0.00 34.95 30.08 3a16 s ARG 218 CO 0.04 -0.70 -0.08 0.45 -0.81 0.00 0.00 175.30 174.19 3a16 s SER 219 N 1.25 4.02 0.20 -2.12 0.15 -1.00 -0.72 113.70 115.49 3a16 s SER 219 Ca -0.02 -0.47 0.10 0.00 0.70 0.00 0.00 55.95 56.26 3a16 s SER 219 Cb -0.20 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 3a16 s SER 219 CO -0.03 -0.02 -0.19 -0.83 1.20 0.00 0.00 173.24 173.37 3a16 s GLY 220 N 1.43 1.57 -0.05 9.45 0.00 -0.08 -0.43 107.32 119.21 3a16 s GLY 220 Ca 0.05 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.16 3a16 s GLY 220 CO -0.06 -1.70 -0.08 1.20 0.00 0.00 0.00 173.10 172.47 3a16 s GLN 221 N -3.07 1.13 -0.20 2.90 1.11 -0.40 -2.68 119.66 118.45 3a16 s GLN 221 Ca 0.21 -0.24 -0.01 0.00 0.01 0.00 0.00 55.36 55.33 3a16 s GLN 221 Cb -0.05 -1.03 0.06 0.00 -1.01 0.00 0.00 33.01 30.98 3a16 s GLN 221 CO 0.09 -0.01 -0.00 0.34 0.01 0.00 0.00 175.29 175.72 3a16 s ASP 222 N 0.71 3.20 -0.08 5.90 -1.08 0.07 -0.19 116.67 125.19 3a16 s ASP 222 Ca -0.11 -0.92 0.12 0.00 -0.52 0.00 0.00 52.55 51.12 3a16 s ASP 222 Cb -0.14 -0.81 0.23 0.00 -1.46 0.00 0.00 42.92 40.74 3a16 s ASP 222 CO 0.01 -0.27 1.15 -2.67 0.52 0.00 0.00 175.17 173.92 3a16 n TRP 223 N 4.91 0.19 0.26 -5.34 2.14 -0.75 -1.03 117.44 117.82 3a16 n TRP 223 Ca -0.10 -0.76 0.09 0.00 2.07 0.00 0.00 57.50 58.80 3a16 n TRP 223 Cb 0.46 -0.13 0.68 0.00 -0.81 0.00 0.00 31.31 31.52 3a16 n TRP 223 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3a16 h ALA 224 N 0.48 1.81 -0.01 -1.67 0.00 -1.87 -2.93 119.26 115.07 3a16 h ALA 224 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a16 h ALA 224 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3a16 h ALA 224 CO 0.03 0.05 -0.24 -0.25 0.00 0.00 0.00 179.25 178.83 3a16 n ASP 225 N -4.31 1.87 -4.77 0.00 8.00 -1.26 -4.99 116.55 111.08 3a16 n ASP 225 Ca -0.03 -1.43 -0.36 0.00 0.71 0.00 0.00 54.79 53.68 3a16 n ASP 225 Cb 0.12 0.34 -0.00 0.00 -0.02 0.00 0.00 41.12 41.55 3a16 n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a16 s ALA 226 N -1.79 2.86 0.76 2.24 0.00 -1.11 -4.96 121.76 119.77 3a16 s ALA 226 Ca 0.15 0.90 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 3a16 s ALA 226 Cb 0.14 -3.38 0.10 0.00 0.00 0.00 0.00 23.12 19.98 3a16 s ALA 226 CO 0.36 -0.71 1.07 -1.21 0.00 0.00 0.00 175.76 175.27 3a16 s GLU 227 N -2.93 1.82 0.20 0.00 0.41 -1.26 -4.74 118.70 112.21 3a16 s GLU 227 Ca 0.67 -0.40 -0.18 0.00 -0.41 0.00 0.00 54.97 54.66 3a16 s GLU 227 Cb -0.27 -2.13 0.17 0.00 -1.78 0.00 0.00 34.13 30.13 3a16 s GLU 227 CO 0.32 -1.50 1.60 0.00 -0.49 0.00 0.00 175.26 175.19 3a16 h ALA 228 N -0.80 0.14 -0.62 5.21 0.00 -1.98 0.89 119.26 122.09 3a16 h ALA 228 Ca -0.43 0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3a16 h ALA 228 Cb 1.29 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 3a16 h ALA 228 CO 0.53 -0.58 0.16 -0.44 0.00 0.00 0.00 179.25 178.93 3a16 h ASP 229 N -0.11 0.91 -0.02 0.00 3.32 -1.98 -1.52 116.42 117.02 3a16 h ASP 229 Ca 0.26 -0.17 -0.26 0.00 0.02 0.00 0.00 57.03 56.88 3a16 h ASP 229 Cb 0.53 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 39.86 3a16 h ASP 229 CO -0.67 0.87 -1.01 -0.08 -1.72 0.00 0.00 179.24 176.63 3a16 h GLU 230 N 0.93 0.72 -0.48 3.56 4.81 -1.65 -2.45 114.58 120.02 3a16 h GLU 230 Ca 0.20 -0.75 0.10 0.00 -0.13 0.00 0.00 59.36 58.78 3a16 h GLU 230 Cb 0.32 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.82 3a16 h GLU 230 CO -0.00 1.32 -0.04 0.00 -0.73 0.00 0.00 179.01 179.56 3a16 h ARG 231 N 0.42 0.07 -0.63 1.92 3.08 -0.64 -0.53 114.38 118.07 3a16 h ARG 231 Ca -0.12 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3a16 h ARG 231 Cb 1.66 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.67 3a16 h ARG 231 CO 0.20 0.05 0.35 0.77 -1.07 0.00 0.00 179.97 180.26 3a16 h SER 232 N 0.07 0.79 -0.16 7.04 0.02 -1.30 -0.15 113.55 119.86 3a16 h SER 232 Ca 0.24 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3a16 h SER 232 Cb 0.37 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3a16 h SER 232 CO -0.44 0.65 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.76 3a16 h LEU 233 N 0.86 -0.25 0.12 5.07 3.38 -0.90 0.35 115.31 123.95 3a16 h LEU 233 Ca 0.22 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3a16 h LEU 233 Cb 0.04 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3a16 h LEU 233 CO -0.04 -0.10 -0.06 0.22 0.09 0.00 0.00 178.44 178.56 3a16 h TYR 234 N -0.05 -0.15 -0.12 1.13 3.20 -0.95 -0.53 116.97 119.50 3a16 h TYR 234 Ca 0.09 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 3a16 h TYR 234 Cb 0.18 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3a16 h TYR 234 CO -0.22 0.03 -0.44 -0.07 -1.64 0.00 0.00 178.16 175.82 3a16 h LEU 235 N -0.31 0.30 0.04 2.82 3.38 -0.89 0.36 115.31 121.01 3a16 h LEU 235 Ca -0.02 -0.13 -0.34 0.00 0.09 0.00 0.00 57.88 57.48 3a16 h LEU 235 Cb 0.25 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3a16 h LEU 235 CO 0.03 0.70 -1.99 0.47 0.09 0.00 0.00 178.44 177.74 3a16 n ASP 236 N -4.00 1.28 -0.09 -0.43 8.00 0.12 -4.32 116.55 117.10 3a16 n ASP 236 Ca -0.02 0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.55 3a16 n ASP 236 Cb 0.50 -0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 41.32 3a16 n ASP 236 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a16 n GLU 237 N -3.17 0.42 -0.09 -1.24 -0.58 -0.22 -4.66 120.64 111.10 3a16 n GLU 237 Ca -0.28 0.13 -0.16 0.00 -0.42 0.00 0.00 57.16 56.44 3a16 n GLU 237 Cb 1.06 -1.27 -0.10 0.00 -0.57 0.00 0.00 31.44 30.56 3a16 n GLU 237 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3a16 h ILE 238 N -0.29 1.01 -0.62 -3.67 2.04 -1.19 -3.38 117.51 111.40 3a16 h ILE 238 Ca -0.43 -2.00 0.11 0.00 1.00 0.00 0.00 64.86 63.55 3a16 h ILE 238 Cb 1.52 2.15 -0.08 0.00 -0.74 0.00 0.00 36.82 39.66 3a16 h ILE 238 CO -0.16 0.34 0.17 0.25 0.00 0.00 0.00 178.15 178.76 3a16 h LEU 239 N -1.00 0.09 -1.27 1.44 5.85 -0.50 -2.00 115.31 117.92 3a16 h LEU 239 Ca -0.17 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.76 3a16 h LEU 239 Cb 1.01 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 3a16 h LEU 239 CO -0.11 0.05 0.55 -0.65 -0.34 0.00 0.00 178.44 177.95 3a16 h PRO 240 N 0.32 0.77 -0.19 5.25 0.11 -1.77 0.27 132.00 136.76 3a16 h PRO 240 Ca 0.33 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.21 3a16 h PRO 240 Cb 0.47 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3a16 h PRO 240 CO -0.38 0.51 -0.61 1.79 -0.21 0.00 0.00 178.00 179.10 3a16 h THR 241 N 0.79 1.31 -0.36 -1.15 1.35 -1.56 -1.62 112.91 111.67 3a16 h THR 241 Ca 0.40 -1.86 -0.07 0.00 -0.55 0.00 0.00 66.41 64.33 3a16 h THR 241 Cb 0.49 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 3a16 h THR 241 CO -0.17 0.58 -0.05 0.25 -0.25 0.00 0.00 175.52 175.89 3a16 h LEU 242 N 0.48 0.66 -0.64 3.87 5.85 -0.72 -2.07 115.31 122.74 3a16 h LEU 242 Ca -0.01 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.39 3a16 h LEU 242 Cb 1.19 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3a16 h LEU 242 CO 0.12 0.85 0.41 -0.61 -0.34 0.00 0.00 178.44 178.87 3a16 h GLN 243 N 0.47 0.80 -0.27 1.25 5.75 -0.48 0.12 115.11 122.75 3a16 h GLN 243 Ca 0.10 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.60 3a16 h GLN 243 Cb 0.54 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 3a16 h GLN 243 CO 0.03 0.53 -0.01 1.03 -2.65 0.00 0.00 178.83 177.75 3a16 h SER 244 N 0.83 -0.14 -0.54 -0.69 0.87 -1.11 -0.49 113.55 112.28 3a16 h SER 244 Ca 0.24 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.79 3a16 h SER 244 Cb -0.05 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3a16 h SER 244 CO -0.07 -0.04 0.04 1.23 -0.53 0.00 0.00 176.83 177.47 3a16 h GLY 245 N 0.06 1.00 0.96 5.77 0.00 -1.02 -1.64 103.07 108.21 3a16 h GLY 245 Ca 0.13 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 3a16 h GLY 245 CO -0.23 0.65 0.10 -0.33 0.00 0.00 0.00 176.54 176.73 3a16 h MET 246 N 0.81 0.75 -0.86 4.80 2.07 -0.78 -1.67 114.93 120.05 3a16 h MET 246 Ca 0.16 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3a16 h MET 246 Cb 0.47 -0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 30.07 3a16 h MET 246 CO 0.02 0.75 0.55 -0.44 1.07 0.00 0.00 176.91 178.86 3a16 h ASP 247 N 0.62 1.01 0.07 1.22 3.32 -0.98 -0.30 116.42 121.39 3a16 h ASP 247 Ca 0.14 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3a16 h ASP 247 Cb 0.35 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3a16 h ASP 247 CO 0.00 0.75 -0.03 0.15 -1.72 0.00 0.00 179.24 178.39 3a16 h PHE 248 N 1.18 -0.09 -0.62 4.55 3.57 -0.88 -1.49 116.94 123.17 3a16 h PHE 248 Ca 0.31 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 3a16 h PHE 248 Cb -0.10 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3a16 h PHE 248 CO 0.00 0.00 0.06 -0.07 -2.23 0.00 0.00 178.31 176.07 3a16 h LEU 249 N -0.15 1.01 -0.94 0.59 3.38 -1.14 0.43 115.31 118.48 3a16 h LEU 249 Ca -0.01 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.75 3a16 h LEU 249 Cb 0.13 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3a16 h LEU 249 CO 0.02 1.03 0.61 -0.09 0.09 0.00 0.00 178.44 180.09 3a16 h ARG 250 N 0.97 1.13 -0.00 1.13 2.43 -0.96 -2.95 114.38 116.12 3a16 h ARG 250 Ca 0.18 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3a16 h ARG 250 Cb 0.48 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3a16 h ARG 250 CO 0.02 0.75 -0.56 -0.25 -1.51 0.00 0.00 179.97 178.42 3a16 n ASP 251 N -4.51 0.86 -1.61 -3.80 8.00 -0.57 -4.46 116.55 110.47 3a16 n ASP 251 Ca 0.13 -0.93 -0.01 0.00 0.71 0.00 0.00 54.79 54.69 3a16 n ASP 251 Cb 0.12 0.87 0.08 0.00 -0.02 0.00 0.00 41.12 42.17 3a16 n ASP 251 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a16 n ASN 252 N -1.03 2.03 0.06 -2.24 3.02 0.15 -4.93 115.26 112.31 3a16 n ASN 252 Ca 0.03 -2.87 -0.11 0.00 -0.03 0.00 0.00 54.58 51.61 3a16 n ASN 252 Cb 0.24 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 3a16 n ASN 252 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3a16 h GLY 253 N 1.54 -0.27 0.67 7.41 0.00 -1.69 -2.41 103.07 108.32 3a16 h GLY 253 Ca -0.04 0.23 0.16 0.00 0.00 0.00 0.00 47.33 47.69 3a16 h GLY 253 CO 0.21 -0.18 0.50 -2.55 0.00 0.00 0.00 176.54 174.52 3a16 h PRO 254 N -0.32 0.32 -0.11 4.80 0.11 -1.90 0.23 132.00 135.14 3a16 h PRO 254 Ca 0.06 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 3a16 h PRO 254 Cb 0.39 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3a16 h PRO 254 CO -0.18 0.21 -0.31 0.00 -0.21 0.00 0.00 178.00 177.51 3a16 h ALA 255 N 1.65 1.28 -0.00 -0.75 0.00 -1.80 -3.30 119.26 116.34 3a16 h ALA 255 Ca 0.36 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a16 h ALA 255 Cb 0.93 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3a16 h ALA 255 CO -0.10 0.49 -0.13 1.33 0.00 0.00 0.00 179.25 180.85 3a16 n VAL 256 N -4.12 0.00 -0.35 0.00 0.24 -0.92 -5.01 118.33 108.17 3a16 n VAL 256 Ca -0.01 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3a16 n VAL 256 Cb 0.40 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 3a16 n VAL 256 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a16 n GLY 257 N 0.73 0.78 3.43 7.63 0.00 -0.08 -4.76 105.19 112.91 3a16 n GLY 257 Ca 0.03 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 3a16 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a16 h TYR 259 N 8.82 1.03 -2.59 0.00 0.05 -0.50 -3.35 116.97 120.42 3a16 h TYR 259 Ca -0.28 -0.13 -0.11 0.00 0.05 0.00 0.00 58.73 58.26 3a16 h TYR 259 Cb 1.11 -0.29 -0.27 0.00 1.01 0.00 0.00 36.73 38.29 3a16 h TYR 259 CO 0.66 0.88 -0.32 0.45 -1.05 0.00 0.00 178.16 178.79 3a16 s SER 260 N -6.56 -0.43 -0.13 3.88 0.15 -1.03 -4.75 113.70 104.84 3a16 s SER 260 Ca -0.11 0.94 0.01 0.00 0.70 0.00 0.00 55.95 57.49 3a16 s SER 260 Cb 0.15 0.98 0.02 0.00 -1.71 0.00 0.00 66.02 65.45 3a16 s SER 260 CO 0.83 -0.21 -0.13 0.21 1.20 0.00 0.00 173.24 175.15 3a16 s ASN 261 N 1.82 2.45 -0.04 5.45 2.47 -1.26 -0.58 114.94 125.26 3a16 s ASN 261 Ca -0.07 -0.42 0.07 0.00 0.42 0.00 0.00 52.86 52.86 3a16 s ASN 261 Cb -0.10 -1.05 -0.01 0.00 -1.45 0.00 0.00 41.25 38.64 3a16 s ASN 261 CO -0.13 -0.05 -0.25 -0.13 -3.72 0.00 0.00 177.10 172.82 3a16 s ARG 262 N 1.39 2.29 -0.32 0.43 0.52 -0.22 -4.62 118.95 118.42 3a16 s ARG 262 Ca 0.01 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 3a16 s ARG 262 Cb -0.13 -2.05 0.08 0.00 0.52 0.00 0.00 34.95 33.37 3a16 s ARG 262 CO -0.07 0.45 0.02 0.12 0.02 0.00 0.00 175.30 175.83 3a16 s PHE 263 N -0.34 3.48 0.15 -0.53 5.36 -1.26 -0.64 117.98 124.20 3a16 s PHE 263 Ca 0.02 -2.45 0.09 0.00 -0.96 0.00 0.00 56.93 53.64 3a16 s PHE 263 Cb -0.12 -2.50 -0.04 0.00 -0.34 0.00 0.00 43.02 40.03 3a16 s PHE 263 CO 0.02 -0.90 -0.15 0.14 -1.46 0.00 0.00 175.22 172.86 3a16 s VAL 264 N 1.08 2.92 -0.13 3.12 -7.23 0.37 -4.74 120.40 115.79 3a16 s VAL 264 Ca 0.01 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 3a16 s VAL 264 Cb -0.20 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 3a16 s VAL 264 CO -0.05 -0.01 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.96 3a16 s ARG 265 N -2.47 3.22 0.44 4.82 6.06 -0.12 -0.86 118.95 130.05 3a16 s ARG 265 Ca 0.21 -0.77 -0.25 0.00 -2.50 0.00 0.00 55.73 52.43 3a16 s ARG 265 Cb -0.10 -2.53 -0.09 0.00 0.06 0.00 0.00 34.95 32.29 3a16 s ARG 265 CO 0.12 0.13 1.23 0.09 -2.50 0.00 0.00 175.30 174.37 3a16 n ASN 266 N 3.73 2.31 -4.26 -2.12 4.13 0.04 -0.92 115.26 118.18 3a16 n ASN 266 Ca -0.19 1.07 -0.15 0.00 1.68 0.00 0.00 54.58 57.00 3a16 n ASN 266 Cb 0.52 -1.48 -0.10 0.00 -1.54 0.00 0.00 39.78 37.18 3a16 n ASN 266 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3a16 s ILE 267 N -1.23 1.06 0.89 2.41 -4.36 0.05 -0.45 121.20 119.57 3a16 s ILE 267 Ca 0.63 -2.04 -0.11 0.00 -0.26 0.00 0.00 60.65 58.87 3a16 s ILE 267 Cb -0.50 -1.98 0.18 0.00 1.25 0.00 0.00 42.46 41.41 3a16 s ILE 267 CO 0.56 -0.63 1.23 1.51 0.24 0.00 0.00 174.94 177.85 3a16 s ASP 268 N -3.19 3.44 0.63 4.36 1.47 0.23 -4.43 116.67 119.18 3a16 s ASP 268 Ca 0.20 0.05 0.37 0.00 1.18 0.00 0.00 52.55 54.35 3a16 s ASP 268 Cb 0.04 -0.18 2.11 0.00 -0.34 0.00 0.00 42.92 44.55 3a16 s ASP 268 CO 0.02 -2.50 2.31 -0.29 0.68 0.00 0.00 175.17 175.39 3a16 h ILE 269 N -1.33 0.28 -0.00 2.11 6.09 -1.98 -0.76 117.51 121.92 3a16 h ILE 269 Ca -0.42 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 3a16 h ILE 269 Cb 1.24 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.52 3a16 h ILE 269 CO 0.38 0.00 -0.28 0.47 -3.07 0.00 0.00 178.15 175.65 3a16 n ASP 270 N -3.49 0.28 0.00 2.19 9.92 -1.26 -4.86 116.55 119.34 3a16 n ASP 270 Ca -0.03 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 3a16 n ASP 270 Cb 0.08 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 3a16 n ASP 270 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3a16 n GLY 271 N 1.50 0.80 3.74 0.44 0.00 -0.29 -5.07 105.19 106.32 3a16 n GLY 271 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3a16 n GLY 271 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a16 s ASN 272 N -2.00 7.32 0.46 1.61 0.01 -1.26 -4.79 114.94 116.30 3a16 s ASN 272 Ca 0.00 1.58 -0.24 0.00 -0.71 0.00 0.00 52.86 53.49 3a16 s ASN 272 Cb 0.00 -2.51 -0.07 0.00 0.41 0.00 0.00 41.25 39.08 3a16 s ASN 272 CO 0.00 -0.00 1.32 -0.36 -1.51 0.00 0.00 177.10 176.55 3a16 s PHE 273 N -0.10 2.60 0.26 2.20 0.08 -1.26 -0.60 117.98 121.16 3a16 s PHE 273 Ca 0.41 1.39 0.10 0.00 0.12 0.00 0.00 56.93 58.95 3a16 s PHE 273 Cb -0.22 -3.71 -0.04 0.00 -0.57 0.00 0.00 43.02 38.48 3a16 s PHE 273 CO 0.25 -2.39 -0.04 -0.51 -0.10 0.00 0.00 175.22 172.44 3a16 s LEU 274 N -2.91 3.10 -0.38 -0.37 1.43 0.40 -4.81 118.68 115.14 3a16 s LEU 274 Ca 0.63 -0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 3a16 s LEU 274 Cb -0.38 -1.63 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 3a16 s LEU 274 CO 0.48 0.02 3.16 0.47 0.23 0.00 0.00 176.35 180.71 3a16 n ASP 275 N -0.76 6.15 -3.92 2.29 8.00 -1.26 -4.44 116.55 122.61 3a16 n ASP 275 Ca -0.07 -2.82 -0.11 0.00 0.71 0.00 0.00 54.79 52.50 3a16 n ASP 275 Cb 0.59 -1.35 -0.13 0.00 -0.02 0.00 0.00 41.12 40.21 3a16 n ASP 275 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a16 s LEU 276 N -1.00 2.10 0.20 0.64 1.02 -1.26 -1.82 118.68 118.57 3a16 s LEU 276 Ca 0.63 -0.22 -0.02 0.00 0.02 0.00 0.00 54.13 54.54 3a16 s LEU 276 Cb 0.33 0.02 -0.04 0.00 0.02 0.00 0.00 46.19 46.52 3a16 s LEU 276 CO -0.10 -0.12 0.17 -0.94 0.02 0.00 0.00 176.35 175.38 3a16 s SER 277 N -0.63 0.12 0.06 2.29 1.04 0.73 -0.78 113.70 116.54 3a16 s SER 277 Ca -0.06 -1.32 -0.26 0.00 0.48 0.00 0.00 55.95 54.78 3a16 s SER 277 Cb -0.04 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.56 3a16 s SER 277 CO -0.00 -0.87 0.73 -0.72 0.98 0.00 0.00 173.24 173.35 3a16 s TYR 278 N -4.14 -0.48 0.10 5.02 1.13 -0.04 -1.27 117.35 117.67 3a16 s TYR 278 Ca 0.36 0.41 -0.27 0.00 -1.41 0.00 0.00 57.07 56.17 3a16 s TYR 278 Cb 0.06 0.53 -0.06 0.00 -1.10 0.00 0.00 41.96 41.39 3a16 s TYR 278 CO 0.11 -0.69 0.83 1.21 -2.51 0.00 0.00 175.55 174.50 3a16 s ASN 279 N -2.36 7.34 -0.30 -0.18 3.04 0.42 -0.48 114.94 122.42 3a16 s ASN 279 Ca 0.01 1.60 0.00 0.00 0.04 0.00 0.00 52.86 54.51 3a16 s ASN 279 Cb -0.01 -2.51 0.07 0.00 -1.54 0.00 0.00 41.25 37.26 3a16 s ASN 279 CO -0.08 0.04 -0.01 -0.63 -3.04 0.00 0.00 177.10 173.39 3a16 s ILE 280 N -0.33 2.67 -0.16 -5.21 1.01 0.19 -2.38 121.20 116.99 3a16 s ILE 280 Ca 0.40 -1.65 0.01 0.00 0.00 0.00 0.00 60.65 59.41 3a16 s ILE 280 Cb -0.22 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.64 3a16 s ILE 280 CO 0.26 -0.20 -0.19 -0.83 0.00 0.00 0.00 174.94 173.98 3a16 s GLY 281 N 1.22 1.29 -0.24 6.18 0.00 -0.25 -1.06 107.32 114.47 3a16 s GLY 281 Ca -0.03 -1.08 -0.09 0.00 0.00 0.00 0.00 44.72 43.52 3a16 s GLY 281 CO -0.03 0.26 0.13 0.30 0.00 0.00 0.00 173.10 173.75 3a16 s HIS 282 N 1.19 3.24 0.08 1.90 3.76 0.26 -1.17 115.29 124.56 3a16 s HIS 282 Ca 0.01 0.05 0.10 0.00 -0.15 0.00 0.00 55.06 55.07 3a16 s HIS 282 Cb -0.14 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.27 3a16 s HIS 282 CO -0.09 -0.04 -0.26 -1.58 -0.85 0.00 0.00 174.74 171.92 3a16 s TRP 283 N 1.16 2.27 0.27 1.40 0.52 0.65 0.21 118.94 125.41 3a16 s TRP 283 Ca 0.06 -0.40 0.25 0.00 0.02 0.00 0.00 56.10 56.03 3a16 s TRP 283 Cb -0.14 -1.30 1.12 0.00 -1.15 0.00 0.00 33.47 32.00 3a16 s TRP 283 CO 0.05 0.22 1.92 0.00 0.02 0.00 0.00 176.95 179.16 3a16 h ALA 284 N 4.37 1.14 -2.75 0.98 0.00 -0.51 -1.49 119.26 120.99 3a16 h ALA 284 Ca -0.48 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 3a16 h ALA 284 Cb 1.16 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 3a16 h ALA 284 CO 0.41 0.25 0.20 -1.54 0.00 0.00 0.00 179.25 178.57 3a16 s SER 285 N -6.22 -0.58 0.25 0.00 1.04 -1.26 -4.49 113.70 102.43 3a16 s SER 285 Ca -0.01 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.57 3a16 s SER 285 Cb 0.12 0.58 0.31 0.00 0.10 0.00 0.00 66.02 67.12 3a16 s SER 285 CO 0.62 -0.88 1.72 0.25 0.98 0.00 0.00 173.24 175.94 3a16 h LEU 286 N 2.26 0.73 -0.76 2.42 5.85 -1.81 -3.02 115.31 120.99 3a16 h LEU 286 Ca -0.32 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.07 3a16 h LEU 286 Cb 1.27 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3a16 h LEU 286 CO 0.38 0.86 -0.39 -2.24 -0.34 0.00 0.00 178.44 176.71 3a16 h ASP 287 N 0.68 0.50 -0.72 1.25 2.03 -1.95 -0.11 116.42 118.11 3a16 h ASP 287 Ca 0.12 -0.22 0.01 0.00 -0.73 0.00 0.00 57.03 56.21 3a16 h ASP 287 Cb 0.55 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 38.87 3a16 h ASP 287 CO 0.03 0.85 0.48 1.56 -1.03 0.00 0.00 179.24 181.12 3a16 h GLN 288 N 0.40 0.94 -0.42 4.15 4.20 -1.87 0.17 115.11 122.68 3a16 h GLN 288 Ca 0.04 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 3a16 h GLN 288 Cb 0.86 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3a16 h GLN 288 CO 0.07 0.62 0.04 1.25 -0.67 0.00 0.00 178.83 180.15 3a16 h LEU 289 N 0.97 0.69 -0.54 1.46 5.85 -1.31 -1.43 115.31 121.00 3a16 h LEU 289 Ca 0.26 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3a16 h LEU 289 Cb -0.11 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 3a16 h LEU 289 CO -0.06 0.80 0.29 -0.33 -0.34 0.00 0.00 178.44 178.80 3a16 h GLU 290 N 0.56 0.54 -0.42 1.25 5.08 -0.49 -1.55 114.58 119.55 3a16 h GLU 290 Ca 0.12 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3a16 h GLU 290 Cb 0.42 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3a16 h GLU 290 CO 0.01 0.36 0.23 0.00 -1.00 0.00 0.00 179.01 178.61 3a16 h ARG 291 N 0.56 0.59 0.09 2.33 2.47 -0.44 -2.27 114.38 117.71 3a16 h ARG 291 Ca 0.24 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.88 3a16 h ARG 291 Cb 0.13 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3a16 h ARG 291 CO -0.15 0.48 -0.04 2.35 0.56 0.00 0.00 179.97 183.17 3a16 h TRP 292 N 0.55 -0.11 -0.52 3.04 7.01 -1.11 -2.02 115.95 122.80 3a16 h TRP 292 Ca 0.15 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 3a16 h TRP 292 Cb 0.06 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 3a16 h TRP 292 CO -0.02 0.05 0.21 0.66 -2.79 0.00 0.00 178.44 176.56 3a16 h SER 293 N -0.25 0.67 0.42 2.65 4.64 -1.23 -1.66 113.55 118.79 3a16 h SER 293 Ca -0.01 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3a16 h SER 293 Cb 0.21 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3a16 h SER 293 CO 0.02 0.60 -1.24 -1.84 -0.87 0.00 0.00 176.83 173.50 3a16 n GLU 294 N -4.35 0.42 0.00 4.77 0.28 -0.86 -4.29 120.64 116.61 3a16 n GLU 294 Ca 0.04 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 3a16 n GLU 294 Cb 0.15 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.40 3a16 n GLU 294 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3a16 n SER 295 N -2.14 0.84 -4.72 -1.84 3.41 -0.76 -4.95 113.62 103.45 3a16 n SER 295 Ca 0.00 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 3a16 n SER 295 Cb 0.48 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 3a16 n SER 295 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3a16 s HIS 296 N -0.36 3.64 0.43 7.33 2.46 -0.63 -4.94 115.29 123.22 3a16 s HIS 296 Ca 0.00 1.62 0.21 0.00 0.47 0.00 0.00 55.06 57.36 3a16 s HIS 296 Cb 0.00 -3.20 1.17 0.00 -0.13 0.00 0.00 32.58 30.42 3a16 s HIS 296 CO 0.00 -0.34 1.82 -1.00 -2.47 0.00 0.00 174.74 172.75 3a16 h PRO 297 N 6.17 0.32 0.52 2.88 0.13 -1.97 -2.33 132.00 137.73 3a16 h PRO 297 Ca -0.42 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 3a16 h PRO 297 Cb 1.21 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.28 3a16 h PRO 297 CO 0.75 0.21 -0.25 1.79 -0.23 0.00 0.00 178.00 180.27 3a16 h THR 298 N 0.33 0.48 -0.14 1.56 1.35 -1.92 0.15 112.91 114.73 3a16 h THR 298 Ca 0.52 -0.07 -0.12 0.00 -0.55 0.00 0.00 66.41 66.19 3a16 h THR 298 Cb 1.44 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 3a16 h THR 298 CO -0.19 0.01 -0.45 -0.74 -0.25 0.00 0.00 175.52 173.90 3a16 h HIS 299 N -0.74 0.41 -0.85 4.73 -0.00 -1.75 -1.79 115.15 115.16 3a16 h HIS 299 Ca -0.07 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.16 3a16 h HIS 299 Cb 0.56 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.84 3a16 h HIS 299 CO -0.03 0.73 0.46 -0.07 -0.00 0.00 0.00 177.93 179.02 3a16 h LEU 300 N 0.28 1.06 -0.31 0.26 3.38 -1.32 0.35 115.31 119.01 3a16 h LEU 300 Ca 0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3a16 h LEU 300 Cb 0.90 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3a16 h LEU 300 CO 0.07 0.85 0.19 -0.09 0.09 0.00 0.00 178.44 179.56 3a16 h ARG 301 N 1.18 0.41 0.03 1.13 2.43 -0.36 0.33 114.38 119.54 3a16 h ARG 301 Ca 0.30 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 3a16 h ARG 301 Cb 0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3a16 h ARG 301 CO -0.05 0.29 -0.19 0.82 -1.51 0.00 0.00 179.97 179.33 3a16 h ILE 302 N 0.40 0.55 -0.51 1.20 2.04 -0.81 0.04 117.51 120.42 3a16 h ILE 302 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.02 3a16 h ILE 302 Cb -0.02 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 3a16 h ILE 302 CO -0.02 0.00 0.24 0.15 0.00 0.00 0.00 178.15 178.52 3a16 h PHE 303 N -0.33 0.44 -0.20 1.37 3.04 -0.07 -1.61 116.94 119.58 3a16 h PHE 303 Ca 0.05 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.85 3a16 h PHE 303 Cb 0.38 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.77 3a16 h PHE 303 CO -0.22 0.20 -0.57 1.15 -2.02 0.00 0.00 178.31 176.85 3a16 h THR 304 N 0.47 1.31 -0.46 4.41 2.02 -0.21 -3.04 112.91 117.42 3a16 h THR 304 Ca 0.23 -1.81 -0.06 0.00 0.77 0.00 0.00 66.41 65.54 3a16 h THR 304 Cb 0.17 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 3a16 h THR 304 CO -0.18 0.57 0.04 0.74 0.37 0.00 0.00 175.52 177.06 3a16 h THR 305 N 0.47 1.25 -0.34 3.16 2.02 -0.81 -1.86 112.91 116.81 3a16 h THR 305 Ca 0.01 -0.97 0.05 0.00 0.77 0.00 0.00 66.41 66.26 3a16 h THR 305 Cb 1.13 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3a16 h THR 305 CO 0.11 0.34 0.07 0.15 0.37 0.00 0.00 175.52 176.56 3a16 h PHE 306 N 0.64 0.11 0.00 3.16 3.57 -1.29 -1.99 116.94 121.14 3a16 h PHE 306 Ca 0.13 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 3a16 h PHE 306 Cb 0.44 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3a16 h PHE 306 CO 0.03 0.02 -0.43 0.74 -2.23 0.00 0.00 178.31 176.44 3a16 h PHE 307 N 0.18 0.00 -0.38 0.41 0.04 -1.47 0.22 116.94 115.95 3a16 h PHE 307 Ca 0.16 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3a16 h PHE 307 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3a16 h PHE 307 CO -0.18 0.43 0.19 -0.09 -0.60 0.00 0.00 178.31 178.06 3a16 h ARG 308 N 0.00 0.54 -0.02 1.51 2.43 -0.75 -3.27 114.38 114.81 3a16 h ARG 308 Ca -0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3a16 h ARG 308 Cb 0.95 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3a16 h ARG 308 CO 0.06 0.47 -0.31 1.33 -1.51 0.00 0.00 179.97 180.01 3a16 n VAL 309 N -4.72 0.00 -0.35 0.20 0.24 -0.80 -4.66 118.33 108.24 3a16 n VAL 309 Ca -0.00 -0.34 0.34 0.00 -2.04 0.00 0.00 64.34 62.29 3a16 n VAL 309 Cb 0.10 1.31 0.71 0.00 -1.47 0.00 0.00 33.84 34.49 3a16 n VAL 309 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a16 h ALA 310 N 3.85 2.98 0.00 2.33 0.00 -0.61 0.13 119.26 127.93 3a16 h ALA 310 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3a16 h ALA 310 Cb 0.77 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3a16 h ALA 310 CO 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 179.25 177.81 3a16 h ALA 311 N 1.44 1.64 -0.22 0.00 0.00 -1.84 -2.33 119.26 117.95 3a16 h ALA 311 Ca 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3a16 h ALA 311 Cb 2.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.00 3a16 h ALA 311 CO -0.08 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3a16 n GLY 312 N -1.15 0.42 3.61 0.00 0.00 0.44 -4.86 105.19 103.66 3a16 n GLY 312 Ca -0.03 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 3a16 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a16 s LEU 313 N -1.44 3.23 0.00 0.99 1.43 -0.88 -4.60 118.68 117.41 3a16 s LEU 313 Ca 0.31 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3a16 s LEU 313 Cb 0.17 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.51 3a16 s LEU 313 CO 0.24 0.26 0.00 -1.54 0.23 0.00 0.00 176.35 175.55 3a16 n SER 314 N 1.38 0.00 -0.00 2.29 3.41 -1.26 -4.96 113.62 114.48 3a16 n SER 314 Ca -0.15 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.55 3a16 n SER 314 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 3a16 n SER 314 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a16 n LYS 315 N -1.31 1.02 -1.79 4.33 4.76 -1.26 -4.96 118.16 118.94 3a16 n LYS 315 Ca 0.00 -0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 54.95 3a16 n LYS 315 Cb 0.00 -1.35 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 3a16 n LYS 315 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3a16 s LEU 316 N -3.45 4.34 -0.24 -0.35 2.96 -1.26 -4.54 118.68 116.14 3a16 s LEU 316 Ca 0.00 2.96 -0.02 0.00 -0.22 0.00 0.00 54.13 56.86 3a16 s LEU 316 Cb 0.12 -3.64 0.02 0.00 0.50 0.00 0.00 46.19 43.19 3a16 s LEU 316 CO 0.70 -0.89 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.64 3a16 s ARG 317 N -0.88 2.88 -0.01 1.98 0.52 -0.19 -5.00 118.95 118.25 3a16 s ARG 317 Ca 0.61 -0.94 0.07 0.00 -0.52 0.00 0.00 55.73 54.94 3a16 s ARG 317 Cb -0.47 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 3a16 s ARG 317 CO 0.51 -0.38 -0.23 -0.51 0.02 0.00 0.00 175.30 174.72 3a16 s LEU 318 N 1.34 2.06 0.13 2.53 1.43 -1.26 -0.75 118.68 124.16 3a16 s LEU 318 Ca 0.01 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.43 3a16 s LEU 318 Cb -0.16 -1.15 0.07 0.00 0.03 0.00 0.00 46.19 44.98 3a16 s LEU 318 CO -0.05 0.26 0.78 -0.72 0.23 0.00 0.00 176.35 176.86 3a16 s TYR 319 N -0.57 -0.34 0.17 0.29 1.13 -1.09 -1.03 117.35 115.90 3a16 s TYR 319 Ca 0.09 0.08 -0.07 0.00 -1.41 0.00 0.00 57.07 55.76 3a16 s TYR 319 Cb -0.09 0.60 -0.02 0.00 -1.10 0.00 0.00 41.96 41.35 3a16 s TYR 319 CO -0.00 -0.83 0.24 -3.38 -2.51 0.00 0.00 175.55 169.07 3a16 s HIS 320 N -3.50 0.55 -0.01 -3.49 -3.43 0.20 -0.90 115.29 104.70 3a16 s HIS 320 Ca 0.06 -0.90 0.03 0.00 -0.80 0.00 0.00 55.06 53.45 3a16 s HIS 320 Cb -0.02 -0.16 -0.01 0.00 -1.43 0.00 0.00 32.58 30.96 3a16 s HIS 320 CO -0.05 -0.69 -0.10 -1.83 -2.00 0.00 0.00 174.74 170.06 3a16 s GLU 321 N -4.00 0.88 -0.01 -0.38 -1.05 0.11 -1.16 118.70 113.08 3a16 s GLU 321 Ca 0.21 -0.36 0.01 0.00 -0.15 0.00 0.00 54.97 54.68 3a16 s GLU 321 Cb 0.04 -0.84 0.00 0.00 -0.44 0.00 0.00 34.13 32.89 3a16 s GLU 321 CO 0.02 0.20 -0.04 0.08 0.95 0.00 0.00 175.26 176.47 3a16 s VAL 322 N -0.15 0.36 0.03 1.83 1.01 -0.23 -0.88 120.40 122.36 3a16 s VAL 322 Ca 0.03 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3a16 s VAL 322 Cb -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 3a16 s VAL 322 CO -0.00 0.12 -0.09 -0.44 0.00 0.00 0.00 175.10 174.69 3a16 s SER 323 N 0.16 1.03 0.21 3.32 0.01 -0.25 -0.54 113.70 117.65 3a16 s SER 323 Ca -0.01 -0.38 0.10 0.00 1.31 0.00 0.00 55.95 56.97 3a16 s SER 323 Cb -0.05 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 3a16 s SER 323 CO -0.00 -0.04 -0.12 0.68 0.41 0.00 0.00 173.24 174.16 3a16 s VAL 324 N -0.81 2.99 -0.01 3.43 -7.23 0.21 -0.78 120.40 118.19 3a16 s VAL 324 Ca -0.03 -1.87 -0.08 0.00 -1.81 0.00 0.00 61.98 58.20 3a16 s VAL 324 Cb -0.07 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.37 3a16 s VAL 324 CO 0.00 -0.20 0.16 -0.36 -0.31 0.00 0.00 175.10 174.40 3a16 s PHE 325 N -1.92 -0.03 0.80 2.82 0.08 -1.17 -4.57 117.98 114.00 3a16 s PHE 325 Ca 0.26 0.03 -0.14 0.00 0.12 0.00 0.00 56.93 57.21 3a16 s PHE 325 Cb -0.08 -0.01 0.08 0.00 -0.57 0.00 0.00 43.02 42.44 3a16 s PHE 325 CO 0.15 -0.25 1.17 -0.25 -0.10 0.00 0.00 175.22 175.94 3a16 n ASP 326 N 1.79 0.93 -0.16 1.36 9.92 -1.26 -0.05 116.55 129.08 3a16 n ASP 326 Ca -0.20 0.59 -0.02 0.00 -0.53 0.00 0.00 54.79 54.62 3a16 n ASP 326 Cb 0.56 -1.50 0.05 0.00 -0.64 0.00 0.00 41.12 39.60 3a16 n ASP 326 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3a16 h ALA 327 N -0.86 0.44 0.00 2.24 0.00 -1.82 -2.14 119.26 117.12 3a16 h ALA 327 Ca -0.46 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3a16 h ALA 327 Cb 1.30 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3a16 h ALA 327 CO 0.46 -0.40 0.02 0.00 0.00 0.00 0.00 179.25 179.33 3a16 h ALA 328 N 1.45 1.02 -0.54 0.00 0.00 -1.92 -2.60 119.26 116.67 3a16 h ALA 328 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3a16 h ALA 328 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3a16 h ALA 328 CO -0.43 -0.02 0.00 -0.25 0.00 0.00 0.00 179.25 178.55 3a16 n ASP 329 N -2.97 5.43 -4.04 0.00 8.00 -0.80 -4.87 116.55 117.29 3a16 n ASP 329 Ca -0.03 -2.86 -0.21 0.00 0.71 0.00 0.00 54.79 52.40 3a16 n ASP 329 Cb 0.08 -0.67 -0.15 0.00 -0.02 0.00 0.00 41.12 40.36 3a16 n ASP 329 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3a16 s GLN 330 N -2.62 1.10 -0.07 -1.24 -0.21 -0.98 -0.56 119.66 115.08 3a16 s GLN 330 Ca 0.51 -0.39 -0.03 0.00 0.02 0.00 0.00 55.36 55.47 3a16 s GLN 330 Cb 0.39 -1.02 0.04 0.00 1.00 0.00 0.00 33.01 33.42 3a16 s GLN 330 CO 0.15 0.17 0.15 -1.17 -2.12 0.00 0.00 175.29 172.48 3a16 s LEU 331 N 0.04 0.52 -0.28 2.90 2.96 0.01 -4.33 118.68 120.50 3a16 s LEU 331 Ca -0.01 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 3a16 s LEU 331 Cb -0.08 0.35 0.08 0.00 0.50 0.00 0.00 46.19 47.04 3a16 s LEU 331 CO 0.00 -0.17 0.02 -0.31 -1.32 0.00 0.00 176.35 174.57 3a16 s TYR 332 N 1.45 2.45 -0.05 5.38 2.02 -0.90 -0.88 117.35 126.82 3a16 s TYR 332 Ca -0.06 -1.99 0.04 0.00 -0.37 0.00 0.00 57.07 54.69 3a16 s TYR 332 Cb -0.12 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 3a16 s TYR 332 CO -0.06 -0.83 -0.17 -1.21 -1.57 0.00 0.00 175.55 171.70 3a16 s GLU 333 N 1.37 2.48 -0.01 -0.62 2.02 0.51 -0.25 118.70 124.20 3a16 s GLU 333 Ca 0.02 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.29 3a16 s GLU 333 Cb -0.18 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.73 3a16 s GLU 333 CO -0.12 0.57 -0.09 0.71 0.02 0.00 0.00 175.26 176.35 3a16 s TYR 334 N -0.61 0.81 -0.17 1.61 1.51 0.37 -0.81 117.35 120.06 3a16 s TYR 334 Ca 0.09 -0.15 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 3a16 s TYR 334 Cb -0.11 -0.52 0.05 0.00 -0.11 0.00 0.00 41.96 41.26 3a16 s TYR 334 CO 0.01 -0.01 -0.03 0.42 -1.11 0.00 0.00 175.55 174.82 3a16 s ILE 335 N -0.21 1.02 -1.46 2.71 1.01 0.96 -0.39 121.20 124.84 3a16 s ILE 335 Ca 0.03 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 3a16 s ILE 335 Cb -0.04 -1.27 0.04 0.00 0.01 0.00 0.00 42.46 41.21 3a16 s ILE 335 CO -0.00 0.04 0.58 0.59 0.00 0.00 0.00 174.94 176.15 3a16 n ASN 336 N 4.89 -1.43 -4.90 3.58 3.02 -0.15 -0.97 115.26 119.29 3a16 n ASN 336 Ca -0.11 -0.95 -0.31 0.00 -0.03 0.00 0.00 54.58 53.17 3a16 n ASN 336 Cb 0.47 -3.25 -0.04 0.00 -0.61 0.00 0.00 39.78 36.35 3a16 n ASN 336 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a16 s HIS 338 N -1.47 2.43 -1.30 0.00 -3.43 -1.26 -4.82 115.29 105.44 3a16 s HIS 338 Ca 0.33 1.52 0.07 0.00 -0.80 0.00 0.00 55.06 56.18 3a16 s HIS 338 Cb -0.13 -3.45 0.34 0.00 -1.43 0.00 0.00 32.58 27.91 3a16 s HIS 338 CO 0.26 -2.12 1.12 -2.30 -2.00 0.00 0.00 174.74 169.70 3a16 n PRO 339 N -1.59 0.07 -0.11 -0.38 -0.02 -1.26 -1.25 135.00 130.46 3a16 n PRO 339 Ca 0.13 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 3a16 n PRO 339 Cb 0.50 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.74 3a16 n PRO 339 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a16 n GLY 340 N -0.71 1.07 3.69 -1.23 0.00 -1.26 -3.09 105.19 103.66 3a16 n GLY 340 Ca 0.03 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3a16 n GLY 340 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a16 s THR 341 N -1.72 4.12 0.00 2.61 2.01 -0.38 -4.45 115.64 117.84 3a16 s THR 341 Ca 0.35 1.47 0.00 0.00 0.31 0.00 0.00 61.69 63.82 3a16 s THR 341 Cb 0.21 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.77 3a16 s THR 341 CO 0.30 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 3a16 n GLY 342 N 3.41 2.71 0.08 4.40 0.00 -1.26 -1.08 105.19 113.45 3a16 n GLY 342 Ca 0.11 0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.49 3a16 n GLY 342 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a16 n MET 343 N 14.00 1.02 0.07 1.61 2.81 -1.26 -3.41 117.12 131.96 3a16 n MET 343 Ca 0.00 -0.17 -0.00 0.00 -1.81 0.00 0.00 57.70 55.72 3a16 n MET 343 Cb 0.00 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.31 3a16 n MET 343 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3a16 h LEU 344 N 0.41 0.33 0.02 4.03 3.38 -1.37 -3.14 115.31 118.97 3a16 h LEU 344 Ca 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3a16 h LEU 344 Cb 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3a16 h LEU 344 CO 0.00 0.54 -0.01 -0.09 0.09 0.00 0.00 178.44 178.97 3a16 h ARG 345 N 0.32 -0.03 -0.04 1.13 2.43 -1.56 -3.27 114.38 113.36 3a16 h ARG 345 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3a16 h ARG 345 Cb 0.51 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3a16 h ARG 345 CO 0.03 0.05 0.00 -0.25 -1.51 0.00 0.00 179.97 178.29 3a16 n ASP 346 N -5.07 2.60 -4.77 -3.80 8.00 -1.25 -4.99 116.55 107.27 3a16 n ASP 346 Ca -0.07 -1.79 -0.40 0.00 0.71 0.00 0.00 54.79 53.23 3a16 n ASP 346 Cb 0.07 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 3a16 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a16 s ALA 347 N -1.56 3.43 0.44 2.24 0.00 -1.19 -4.86 121.76 120.27 3a16 s ALA 347 Ca 0.23 1.22 -0.07 0.00 0.00 0.00 0.00 51.96 53.34 3a16 s ALA 347 Cb 0.16 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 3a16 s ALA 347 CO 0.24 -0.65 0.77 0.14 0.00 0.00 0.00 175.76 176.26 3a16 s VAL 348 N -1.18 4.87 0.00 0.00 -7.23 0.36 -4.78 120.40 112.44 3a16 s VAL 348 Ca 0.50 0.37 0.00 0.00 -1.81 0.00 0.00 61.98 61.04 3a16 s VAL 348 Cb -0.39 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 32.75 3a16 s VAL 348 CO 0.51 -0.69 0.00 0.35 -0.31 0.00 0.00 175.10 174.96 3a16 n THR 349 N -1.80 0.00 -0.02 5.32 -2.24 -1.26 -0.40 114.28 113.88 3a16 n THR 349 Ca 0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 3a16 n THR 349 Cb 0.55 -0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 67.74 3a16 n THR 349 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3a16 h ILE 350 N 0.03 0.00 -0.38 2.28 5.03 -1.96 -3.01 117.51 119.49 3a16 h ILE 350 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 3a16 h ILE 350 Cb 0.00 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.79 3a16 h ILE 350 CO 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.47 3a16 n ALA 351 N -2.91 2.77 1.56 1.87 0.00 -1.26 -4.45 120.51 118.09 3a16 n ALA 351 Ca -0.04 -1.76 0.05 0.00 0.00 0.00 0.00 53.44 51.69 3a16 n ALA 351 Cb 0.28 -0.70 0.30 0.00 0.00 0.00 0.00 19.45 19.33 3a16 n ALA 351 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a16 n GLU 352 N 0.22 0.78 0.00 0.00 1.02 -1.14 -5.25 120.64 116.27 3a16 n GLU 352 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3a16 n GLU 352 Cb 0.75 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 3a16 n GLU 352 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92