#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 2.94 0.14 0.03 2.02 -1.23 -4.84 118.70 117.76 3a16 s GLU 2 Ca 0.00 1.92 -0.02 0.00 0.02 0.00 0.00 54.97 56.89 3a16 s GLU 2 Cb 0.00 -1.97 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 3a16 s GLU 2 CO 0.00 -1.26 0.34 0.45 0.02 0.00 0.00 175.26 174.81 3a16 s SER 3 N -1.47 6.42 0.48 -0.19 0.15 -1.26 -1.85 113.70 115.98 3a16 s SER 3 Ca 0.77 0.43 0.27 0.00 0.70 0.00 0.00 55.95 58.13 3a16 s SER 3 Cb -0.33 -2.03 1.12 0.00 -1.71 0.00 0.00 66.02 63.08 3a16 s SER 3 CO 0.36 0.05 1.90 0.00 1.20 0.00 0.00 173.24 176.75 3a16 h ALA 4 N 2.59 1.04 -2.28 5.45 0.00 -1.93 -3.43 119.26 120.71 3a16 h ALA 4 Ca -0.46 -0.13 -0.58 0.00 0.00 0.00 0.00 54.91 53.73 3a16 h ALA 4 Cb 1.17 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3a16 h ALA 4 CO 0.72 0.18 0.52 0.42 0.00 0.00 0.00 179.25 181.09 3a16 s ILE 5 N -3.72 4.82 0.34 0.00 1.01 -1.26 -4.99 121.20 117.39 3a16 s ILE 5 Ca 0.00 1.75 -0.27 0.00 0.00 0.00 0.00 60.65 62.12 3a16 s ILE 5 Cb 0.10 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.26 3a16 s ILE 5 CO 0.60 -0.04 1.14 0.61 0.00 0.00 0.00 174.94 177.25 3a16 n GLY 6 N 3.46 0.15 0.32 6.18 0.00 -1.26 -4.80 105.19 109.24 3a16 n GLY 6 Ca 0.07 0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.49 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 2.18 0.55 0.00 1.61 4.81 -1.93 0.26 114.58 122.05 3a16 h GLU 7 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3a16 h GLU 7 Cb 1.31 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3a16 h GLU 7 CO 0.61 0.36 0.00 -2.39 -0.73 0.00 0.00 179.01 176.86 3a16 n HIS 8 N -4.91 0.20 0.82 0.92 1.44 -1.26 -2.36 115.22 110.06 3a16 n HIS 8 Ca 0.21 0.07 0.10 0.00 -2.01 0.00 0.00 57.72 56.08 3a16 n HIS 8 Cb 0.57 -0.61 0.06 0.00 0.12 0.00 0.00 29.99 30.12 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 -1.68 2.39 -4.71 2.39 4.77 0.06 -4.95 117.00 115.27 3a16 n LEU 9 Ca 0.05 -0.93 -0.42 0.00 -0.03 0.00 0.00 56.01 54.67 3a16 n LEU 9 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3a16 n LEU 9 CO 0.20 0.42 0.86 -1.10 -1.33 0.00 0.00 177.39 176.44 3a16 s GLN 10 N -1.76 4.45 0.18 3.23 -0.21 -1.00 -4.95 119.66 119.60 3a16 s GLN 10 Ca 0.21 1.74 -0.03 0.00 0.02 0.00 0.00 55.36 57.30 3a16 s GLN 10 Cb 0.16 -3.35 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 3a16 s GLN 10 CO 0.31 -0.22 0.15 0.00 -2.12 0.00 0.00 175.29 173.41 3a16 s PRO 12 N -4.09 4.14 0.09 0.00 0.02 -1.26 -4.96 135.00 128.94 3a16 s PRO 12 Ca 0.30 2.56 -0.22 0.00 0.02 0.00 0.00 61.00 63.67 3a16 s PRO 12 Cb 0.06 -3.07 -0.07 0.00 0.02 0.00 0.00 34.50 31.44 3a16 s PRO 12 CO 0.07 -0.69 0.66 1.03 -0.33 0.00 0.00 177.00 177.74 3a16 s ARG 13 N 0.63 4.36 -0.06 5.54 0.52 -1.26 -4.86 118.95 123.82 3a16 s ARG 13 Ca 0.70 0.90 0.19 0.00 -0.52 0.00 0.00 55.73 57.01 3a16 s ARG 13 Cb -0.48 -3.27 -0.29 0.00 0.52 0.00 0.00 34.95 31.43 3a16 s ARG 13 CO 0.37 0.55 0.36 0.25 0.02 0.00 0.00 175.30 176.85 3a16 n THR 14 N 1.90 0.26 -5.17 0.02 -2.24 -0.50 -4.98 114.28 103.58 3a16 n THR 14 Ca -0.08 -0.52 -0.30 0.00 -2.27 0.00 0.00 64.05 60.89 3a16 n THR 14 Cb 0.50 -0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.50 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 -4.57 2.04 0.37 3.22 1.43 -0.65 -5.00 118.68 115.51 3a16 s LEU 15 Ca -0.08 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.66 3a16 s LEU 15 Cb 0.11 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 3a16 s LEU 15 CO 0.81 0.27 0.20 0.42 0.23 0.00 0.00 176.35 178.28 3a16 s THR 16 N -0.42 2.88 1.00 5.49 -4.23 -1.26 -4.62 115.64 114.47 3a16 s THR 16 Ca 0.05 -1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 58.80 3a16 s THR 16 Cb -0.10 -3.01 0.19 0.00 1.34 0.00 0.00 72.50 70.92 3a16 s THR 16 CO 0.00 -0.12 1.17 -0.13 -0.54 0.00 0.00 174.62 175.01 3a16 s ARG 17 N -3.91 0.40 0.00 3.99 0.52 -1.26 -5.01 118.95 113.68 3a16 s ARG 17 Ca 0.40 0.05 0.17 0.00 -0.52 0.00 0.00 55.73 55.83 3a16 s ARG 17 Cb -0.02 -1.78 0.24 0.00 0.52 0.00 0.00 34.95 33.92 3a16 s ARG 17 CO 0.24 -2.65 1.16 2.89 0.02 0.00 0.00 175.30 176.95 3a16 n ARG 18 N -4.03 1.83 -4.61 3.54 1.85 -1.26 -4.96 116.66 109.02 3a16 n ARG 18 Ca 0.10 -1.79 -0.28 0.00 -1.00 0.00 0.00 57.85 54.89 3a16 n ARG 18 Cb 0.59 -1.36 -0.14 0.00 -1.05 0.00 0.00 32.46 30.51 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 -1.31 1.96 1.01 8.89 -7.23 -1.26 -5.15 120.40 117.32 3a16 s VAL 19 Ca 0.25 -1.45 -0.13 0.00 -1.81 0.00 0.00 61.98 58.84 3a16 s VAL 19 Cb 0.16 -1.72 0.20 0.00 0.56 0.00 0.00 36.38 35.58 3a16 s VAL 19 CO 0.23 0.19 1.11 -2.16 -0.31 0.00 0.00 175.10 174.15 3a16 s PRO 20 N -1.52 0.30 0.49 4.82 0.04 -1.26 -4.95 135.00 132.93 3a16 s PRO 20 Ca 0.10 0.34 0.21 0.00 0.04 0.00 0.00 61.00 61.68 3a16 s PRO 20 Cb -0.10 -1.74 1.27 0.00 0.04 0.00 0.00 34.50 33.98 3a16 s PRO 20 CO 0.03 -2.78 2.06 -0.44 0.04 0.00 0.00 177.00 175.91 3a16 h ASP 21 N -1.92 0.00 0.94 6.66 3.32 -2.02 -2.45 116.42 120.94 3a16 h ASP 21 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3a16 h ASP 21 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3a16 h ASP 21 CO 0.55 0.13 0.00 0.35 -1.72 0.00 0.00 179.24 178.55 3a16 n THR 22 N -4.06 0.72 -1.62 0.35 -2.24 -1.26 -4.87 114.28 101.30 3a16 n THR 22 Ca -0.02 0.07 -0.51 0.00 -2.27 0.00 0.00 64.05 61.32 3a16 n THR 22 Cb 0.21 -0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 67.45 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 -2.11 1.78 -4.29 4.78 9.36 -0.93 -4.99 117.16 120.77 3a16 n TYR 23 Ca 0.04 0.51 -0.24 0.00 3.32 0.00 0.00 57.90 61.52 3a16 n TYR 23 Cb 0.29 -2.41 -0.17 0.00 -0.63 0.00 0.00 39.34 36.42 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 0.93 0.98 0.51 2.97 2.01 -1.26 -5.02 115.64 116.76 3a16 s THR 24 Ca 0.84 -0.34 -0.20 0.00 0.31 0.00 0.00 61.69 62.30 3a16 s THR 24 Cb -0.88 -0.94 -0.07 0.00 0.01 0.00 0.00 72.50 70.61 3a16 s THR 24 CO 0.46 0.33 1.09 -2.16 -0.69 0.00 0.00 174.62 173.65 3a16 s PRO 25 N 1.05 3.57 0.00 4.92 0.04 -1.26 -4.95 135.00 138.38 3a16 s PRO 25 Ca -0.08 1.49 0.29 0.00 0.04 0.00 0.00 61.00 62.74 3a16 s PRO 25 Cb -0.14 -2.05 1.17 0.00 0.04 0.00 0.00 34.50 33.52 3a16 s PRO 25 CO -0.01 -0.65 1.85 -0.35 0.04 0.00 0.00 177.00 177.89 3a16 n PRO 26 N -1.13 0.27 -3.93 0.56 -0.04 -1.26 -4.82 135.00 124.64 3a16 n PRO 26 Ca 0.10 -0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.41 3a16 n PRO 26 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.78 0.19 0.24 0.54 -0.71 -1.26 -5.15 117.98 109.05 3a16 s PHE 27 Ca 0.20 -0.45 -0.30 0.00 -1.04 0.00 0.00 56.93 55.35 3a16 s PHE 27 Cb 0.19 -0.14 -0.09 0.00 -1.21 0.00 0.00 43.02 41.77 3a16 s PHE 27 CO 0.53 -0.31 1.06 -1.25 -1.34 0.00 0.00 175.22 173.92 3a16 s PRO 28 N -2.12 4.67 0.04 1.99 0.04 -1.26 -5.02 135.00 133.35 3a16 s PRO 28 Ca -0.09 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.63 3a16 s PRO 28 Cb -0.04 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 3a16 s PRO 28 CO -0.02 0.23 0.01 -1.64 0.04 0.00 0.00 177.00 175.62 3a16 s MET 29 N -1.02 0.52 0.21 4.56 -1.94 -1.26 -4.87 119.30 115.50 3a16 s MET 29 Ca 0.45 -0.89 0.07 0.00 -1.71 0.00 0.00 55.69 53.61 3a16 s MET 29 Cb -0.30 0.19 -0.05 0.00 2.01 0.00 0.00 34.83 36.68 3a16 s MET 29 CO 0.37 -0.11 -0.11 -1.58 -0.01 0.00 0.00 175.02 173.58 3a16 s TRP 30 N -2.80 1.67 0.11 -0.03 0.51 -0.15 -1.77 118.94 116.49 3a16 s TRP 30 Ca -0.03 -0.65 0.04 0.00 -2.12 0.00 0.00 56.10 53.34 3a16 s TRP 30 Cb -0.00 -0.83 -0.04 0.00 -0.81 0.00 0.00 33.47 31.79 3a16 s TRP 30 CO -0.06 0.27 -0.11 0.14 -0.51 0.00 0.00 176.95 176.69 3a16 s VAL 31 N -3.07 1.05 0.37 4.03 -7.23 -1.26 0.18 120.40 114.48 3a16 s VAL 31 Ca 0.23 -1.76 -0.26 0.00 -1.81 0.00 0.00 61.98 58.38 3a16 s VAL 31 Cb 0.01 -1.51 -0.09 0.00 0.56 0.00 0.00 36.38 35.35 3a16 s VAL 31 CO 0.07 -0.59 1.15 -0.83 -0.31 0.00 0.00 175.10 174.59 3a16 s GLY 32 N -2.64 2.89 0.02 2.32 0.00 -1.26 -0.97 107.32 107.68 3a16 s GLY 32 Ca 0.09 0.94 0.06 0.00 0.00 0.00 0.00 44.72 45.81 3a16 s GLY 32 CO 0.00 1.47 -0.16 0.50 0.00 0.00 0.00 173.10 174.91 3a16 s ARG 33 N -2.14 2.19 -0.07 2.90 1.81 0.07 -4.83 118.95 118.88 3a16 s ARG 33 Ca 0.54 -0.91 -0.08 0.00 -1.72 0.00 0.00 55.73 53.56 3a16 s ARG 33 Cb -0.30 -2.25 0.02 0.00 -0.45 0.00 0.00 34.95 31.96 3a16 s ARG 33 CO 0.39 0.56 0.22 0.00 -0.68 0.00 0.00 175.30 175.79 3a16 s ALA 34 N -0.91 -0.55 1.02 2.13 0.00 -1.26 0.23 121.76 122.42 3a16 s ALA 34 Ca 0.15 0.51 -0.09 0.00 0.00 0.00 0.00 51.96 52.53 3a16 s ALA 34 Cb -0.11 -0.27 0.13 0.00 0.00 0.00 0.00 23.12 22.87 3a16 s ALA 34 CO 0.05 -0.14 0.69 -0.40 0.00 0.00 0.00 175.76 175.96 3a16 n ASP 35 N 2.60 -0.20 -0.31 0.00 5.68 -1.26 -4.91 116.55 118.14 3a16 n ASP 35 Ca -0.15 -1.19 0.24 0.00 -0.50 0.00 0.00 54.79 53.18 3a16 n ASP 35 Cb 0.58 -0.54 0.53 0.00 -1.14 0.00 0.00 41.12 40.55 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 -1.09 0.40 -0.70 -1.12 3.58 -2.02 -2.59 116.42 112.88 3a16 h ASP 36 Ca -0.23 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.30 3a16 h ASP 36 Cb 0.64 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 3a16 h ASP 36 CO 0.16 0.09 0.46 0.00 -2.88 0.00 0.00 179.24 177.07 3a16 h ALA 37 N 1.60 1.51 -1.83 -0.78 0.00 -2.03 -3.39 119.26 114.34 3a16 h ALA 37 Ca 0.58 -0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.87 3a16 h ALA 37 Cb 1.54 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 3a16 h ALA 37 CO -0.25 0.46 1.04 -1.17 0.00 0.00 0.00 179.25 179.32 3a16 s LEU 38 N -9.79 3.66 -0.08 0.00 2.96 -0.98 -4.84 118.68 109.61 3a16 s LEU 38 Ca -0.11 0.91 0.06 0.00 -0.22 0.00 0.00 54.13 54.78 3a16 s LEU 38 Cb 0.18 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.23 3a16 s LEU 38 CO 0.77 -1.34 0.01 0.00 -1.32 0.00 0.00 176.35 174.48 3a16 n GLN 39 N 7.87 2.36 -3.64 1.98 1.13 -1.26 -4.72 117.38 121.10 3a16 n GLN 39 Ca 0.16 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.15 3a16 n GLN 39 Cb 0.48 -1.20 -0.07 0.00 0.11 0.00 0.00 30.24 29.55 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 -2.19 0.64 0.37 -1.09 0.74 -1.26 -1.64 119.66 115.23 3a16 s GLN 40 Ca -0.05 0.98 0.08 0.00 0.05 0.00 0.00 55.36 56.41 3a16 s GLN 40 Cb 0.03 0.20 -0.03 0.00 1.10 0.00 0.00 33.01 34.31 3a16 s GLN 40 CO 0.31 -0.11 0.32 0.14 -0.55 0.00 0.00 175.29 175.40 3a16 s VAL 41 N 1.13 3.09 -0.07 1.34 -7.23 -0.76 -3.54 120.40 114.36 3a16 s VAL 41 Ca -0.06 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 3a16 s VAL 41 Cb -0.05 -3.08 0.01 0.00 0.56 0.00 0.00 36.38 33.82 3a16 s VAL 41 CO -0.13 -0.09 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.74 3a16 s VAL 42 N -2.39 1.31 -0.33 1.32 1.01 -0.69 -3.32 120.40 117.31 3a16 s VAL 42 Ca 0.44 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3a16 s VAL 42 Cb -0.04 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.21 3a16 s VAL 42 CO 0.27 0.40 0.07 -0.04 0.00 0.00 0.00 175.10 175.79 3a16 s MET 43 N 0.65 2.35 -0.33 2.72 -1.94 0.14 -1.03 119.30 121.85 3a16 s MET 43 Ca -0.15 -1.39 -0.05 0.00 -1.71 0.00 0.00 55.69 52.40 3a16 s MET 43 Cb -0.16 -3.32 0.05 0.00 2.01 0.00 0.00 34.83 33.40 3a16 s MET 43 CO 0.04 -0.74 0.08 0.20 -0.01 0.00 0.00 175.02 174.60 3a16 s GLY 44 N 1.41 1.83 -0.43 -0.03 0.00 -0.47 -1.21 107.32 108.42 3a16 s GLY 44 Ca -0.01 -1.80 -0.19 0.00 0.00 0.00 0.00 44.72 42.72 3a16 s GLY 44 CO -0.01 0.77 0.52 -0.19 0.00 0.00 0.00 173.10 174.19 3a16 s TYR 45 N 1.35 3.13 -0.25 1.90 1.51 -0.33 -0.62 117.35 124.03 3a16 s TYR 45 Ca -0.02 -0.26 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 3a16 s TYR 45 Cb -0.20 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 38.57 3a16 s TYR 45 CO 0.01 -0.78 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.15 3a16 s LEU 46 N 2.42 3.24 0.20 -1.29 1.02 0.41 -0.39 118.68 124.29 3a16 s LEU 46 Ca 0.16 -0.62 0.10 0.00 0.02 0.00 0.00 54.13 53.79 3a16 s LEU 46 Cb -0.16 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.25 3a16 s LEU 46 CO 0.16 -0.10 -0.16 -0.83 0.02 0.00 0.00 176.35 175.44 3a16 s GLY 47 N 1.44 1.73 -0.05 -3.19 0.00 0.30 -0.55 107.32 107.00 3a16 s GLY 47 Ca 0.03 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.20 3a16 s GLY 47 CO -0.02 -1.60 -0.11 0.14 0.00 0.00 0.00 173.10 171.50 3a16 s VAL 48 N -1.77 1.03 0.02 1.40 1.01 0.77 -1.95 120.40 120.91 3a16 s VAL 48 Ca 0.24 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.83 3a16 s VAL 48 Cb -0.08 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3a16 s VAL 48 CO 0.13 0.32 -0.19 -1.58 0.00 0.00 0.00 175.10 173.78 3a16 s GLN 49 N 0.43 1.40 0.05 2.72 0.74 0.37 -0.51 119.66 124.86 3a16 s GLN 49 Ca -0.09 -0.83 -0.27 0.00 0.05 0.00 0.00 55.36 54.22 3a16 s GLN 49 Cb -0.13 -1.45 0.09 0.00 1.10 0.00 0.00 33.01 32.63 3a16 s GLN 49 CO 0.02 0.38 0.86 -0.59 -0.55 0.00 0.00 175.29 175.41 3a16 s PHE 50 N -0.67 -0.33 0.00 1.67 -0.71 -0.43 -0.43 117.98 117.07 3a16 s PHE 50 Ca 0.07 0.16 0.00 0.00 -1.04 0.00 0.00 56.93 56.11 3a16 s PHE 50 Cb -0.08 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 3a16 s PHE 50 CO 0.01 -0.65 0.00 -2.13 -1.34 0.00 0.00 175.22 171.11 3a16 n ARG 51 N -0.30 1.80 -2.79 1.99 0.63 -1.26 0.36 116.66 117.09 3a16 n ARG 51 Ca -0.09 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.43 3a16 n ARG 51 Cb 0.62 -0.72 -0.05 0.00 0.45 0.00 0.00 32.46 32.76 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 -1.82 7.51 0.39 6.15 1.01 -1.26 -4.88 116.67 123.76 3a16 s ASP 52 Ca 0.00 1.79 0.12 0.00 0.71 0.00 0.00 52.55 55.17 3a16 s ASP 52 Cb 0.00 -2.57 0.93 0.00 1.01 0.00 0.00 42.92 42.29 3a16 s ASP 52 CO 0.00 0.04 1.89 -0.08 0.21 0.00 0.00 175.17 177.23 3a16 h GLU 53 N 4.99 0.54 0.00 8.23 4.57 -2.02 -1.39 114.58 129.50 3a16 h GLU 53 Ca -0.44 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3a16 h GLU 53 Cb 1.21 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3a16 h GLU 53 CO 0.70 0.36 0.00 -0.40 -1.18 0.00 0.00 179.01 178.49 3a16 n ASP 54 N -4.52 0.00 0.02 1.04 5.68 -1.26 -2.04 116.55 115.46 3a16 n ASP 54 Ca 0.16 0.24 0.11 0.00 -0.50 0.00 0.00 54.79 54.81 3a16 n ASP 54 Cb 0.51 -0.37 0.03 0.00 -1.14 0.00 0.00 41.12 40.15 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 -1.37 0.22 -0.15 0.11 6.02 -0.52 -4.56 117.38 117.14 3a16 n GLN 55 Ca 0.06 -0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 56.99 3a16 n GLN 55 Cb 0.14 -1.57 0.04 0.00 1.02 0.00 0.00 30.24 29.87 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 0.41 -0.33 -1.09 2.43 -1.50 -1.02 114.38 113.28 3a16 h ARG 56 Ca 0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3a16 h ARG 56 Cb 0.68 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3a16 h ARG 56 CO 0.00 0.27 0.20 -1.35 -1.51 0.00 0.00 179.97 177.58 3a16 h PRO 57 N 0.42 0.40 -0.45 0.20 0.11 -1.80 -0.69 132.00 130.18 3a16 h PRO 57 Ca 0.21 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 3a16 h PRO 57 Cb 0.15 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 3a16 h PRO 57 CO -0.17 0.26 0.12 0.00 -0.21 0.00 0.00 178.00 178.00 3a16 h ALA 58 N 1.14 1.37 -0.27 -0.75 0.00 -1.79 -0.96 119.26 117.99 3a16 h ALA 58 Ca 0.13 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3a16 h ALA 58 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3a16 h ALA 58 CO -0.05 0.46 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 3a16 h ALA 59 N 1.48 0.36 -0.37 0.00 0.00 -0.73 0.17 119.26 120.18 3a16 h ALA 59 Ca 0.15 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3a16 h ALA 59 Cb 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3a16 h ALA 59 CO -0.00 0.14 -0.20 -0.07 0.00 0.00 0.00 179.25 179.12 3a16 h LEU 60 N 0.26 0.70 -0.67 0.00 3.38 -0.98 -1.47 115.31 116.53 3a16 h LEU 60 Ca 0.07 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 3a16 h LEU 60 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3a16 h LEU 60 CO 0.02 0.89 -0.38 -0.61 0.09 0.00 0.00 178.44 178.45 3a16 h GLN 61 N 0.62 0.61 -0.64 1.13 5.75 -1.05 -1.07 115.11 120.45 3a16 h GLN 61 Ca 0.09 -0.30 -0.06 0.00 -0.15 0.00 0.00 58.65 58.23 3a16 h GLN 61 Cb 0.67 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.20 3a16 h GLN 61 CO 0.05 0.89 0.16 0.00 -2.65 0.00 0.00 178.83 177.27 3a16 h ALA 62 N 1.08 1.06 -0.51 3.38 0.00 -0.78 0.27 119.26 123.77 3a16 h ALA 62 Ca 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3a16 h ALA 62 Cb 0.88 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3a16 h ALA 62 CO 0.08 0.62 0.11 1.98 0.00 0.00 0.00 179.25 182.04 3a16 h MET 63 N 0.96 0.82 -0.49 0.00 1.85 -1.07 -1.51 114.93 115.50 3a16 h MET 63 Ca 0.20 -0.20 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 3a16 h MET 63 Cb 0.34 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.24 3a16 h MET 63 CO 0.00 0.80 0.12 0.00 -0.40 0.00 0.00 176.91 177.43 3a16 h ARG 64 N 0.71 0.73 -0.71 0.39 3.08 -0.93 -1.28 114.38 116.37 3a16 h ARG 64 Ca 0.16 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3a16 h ARG 64 Cb 0.35 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3a16 h ARG 64 CO 0.00 0.67 0.21 -0.44 -1.07 0.00 0.00 179.97 179.34 3a16 h ASP 65 N 0.71 1.04 -0.05 7.04 3.32 -0.59 0.02 116.42 127.91 3a16 h ASP 65 Ca 0.16 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3a16 h ASP 65 Cb 0.26 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3a16 h ASP 65 CO -0.00 0.97 0.01 0.40 -1.72 0.00 0.00 179.24 178.90 3a16 h ILE 66 N 1.06 1.21 -0.82 0.35 2.04 -0.87 -1.85 117.51 118.62 3a16 h ILE 66 Ca 0.23 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.50 3a16 h ILE 66 Cb 0.31 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 3a16 h ILE 66 CO -0.01 0.18 0.50 0.58 0.00 0.00 0.00 178.15 179.40 3a16 h VAL 67 N -0.16 1.03 -0.92 1.67 2.07 -1.15 -2.00 116.25 116.80 3a16 h VAL 67 Ca 0.02 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3a16 h VAL 67 Cb 0.28 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 3a16 h VAL 67 CO 0.00 0.17 0.61 0.00 0.02 0.00 0.00 177.57 178.36 3a16 h ALA 68 N 1.39 1.17 -0.01 1.67 0.00 -0.84 -1.46 119.26 121.18 3a16 h ALA 68 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3a16 h ALA 68 Cb 0.17 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3a16 h ALA 68 CO -0.17 0.54 0.06 0.78 0.00 0.00 0.00 179.25 180.46 3a16 h GLY 69 N 1.23 0.00 2.00 0.00 0.00 -0.57 -2.06 103.07 103.67 3a16 h GLY 69 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 3a16 h GLY 69 CO -0.08 0.00 -0.07 0.74 0.00 0.00 0.00 176.54 177.13 3a16 h PHE 70 N 0.00 0.00 0.00 5.60 -1.00 -1.08 -2.87 116.94 117.58 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 0.12 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.68 3a16 h PHE 70 CO 0.00 0.07 0.00 -0.25 -1.61 0.00 0.00 178.31 176.52 3a16 n ASP 71 N -3.18 0.17 -4.81 2.17 8.00 -0.77 -4.19 116.55 113.93 3a16 n ASP 71 Ca 0.01 0.52 -0.31 0.00 0.71 0.00 0.00 54.79 55.71 3a16 n ASP 71 Cb 0.37 -0.56 0.05 0.00 -0.02 0.00 0.00 41.12 40.95 3a16 n ASP 71 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a16 s LEU 72 N -3.32 3.18 0.33 0.64 1.43 -1.09 -4.93 118.68 114.92 3a16 s LEU 72 Ca 0.12 1.67 -0.27 0.00 -1.03 0.00 0.00 54.13 54.62 3a16 s LEU 72 Cb 0.16 -4.50 -0.13 0.00 0.03 0.00 0.00 46.19 41.75 3a16 s LEU 72 CO 0.51 -1.46 0.94 -2.65 0.23 0.00 0.00 176.35 173.92 3a16 n PRO 73 N -3.00 1.22 -1.23 1.29 -0.02 -1.26 -1.71 135.00 130.29 3a16 n PRO 73 Ca 0.08 0.43 -0.08 0.00 -2.02 0.00 0.00 63.50 61.91 3a16 n PRO 73 Cb 0.53 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.12 -4.50 -4.61 2.55 8.00 -1.26 -4.64 116.55 113.21 3a16 n ASP 74 Ca 0.10 0.19 -0.29 0.00 0.71 0.00 0.00 54.79 55.50 3a16 n ASP 74 Cb 0.34 -2.69 0.20 0.00 -0.02 0.00 0.00 41.12 38.94 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 -2.59 1.60 0.68 0.44 0.00 -0.70 -4.47 107.32 102.28 3a16 s GLY 75 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 44.72 44.59 3a16 s GLY 75 CO 0.00 0.61 1.18 2.56 0.00 0.00 0.00 173.10 177.45 3a16 s PRO 76 N -4.67 2.49 0.37 2.90 0.04 -1.26 -4.94 135.00 129.93 3a16 s PRO 76 Ca 0.66 1.67 0.20 0.00 0.04 0.00 0.00 61.00 63.58 3a16 s PRO 76 Cb -0.22 -1.89 0.56 0.00 0.04 0.00 0.00 34.50 33.00 3a16 s PRO 76 CO 0.60 -1.55 1.67 0.00 0.04 0.00 0.00 177.00 177.77 3a16 h ALA 77 N 0.04 0.90 -2.51 8.56 0.00 -1.07 -3.46 119.26 121.72 3a16 h ALA 77 Ca -0.48 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.01 3a16 h ALA 77 Cb 1.28 -0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.83 3a16 h ALA 77 CO 0.52 0.43 -0.26 -1.58 0.00 0.00 0.00 179.25 178.36 3a16 s HIS 78 N -3.40 -0.17 0.13 0.00 5.65 -1.19 -4.97 115.29 111.34 3a16 s HIS 78 Ca 0.02 0.20 -0.13 0.00 0.25 0.00 0.00 55.06 55.40 3a16 s HIS 78 Cb 0.09 0.10 0.02 0.00 -1.18 0.00 0.00 32.58 31.61 3a16 s HIS 78 CO 0.69 -0.42 0.34 -3.38 -0.65 0.00 0.00 174.74 171.31 3a16 s HIS 79 N -1.65 0.02 0.13 3.88 -0.00 -1.26 -0.78 115.29 115.63 3a16 s HIS 79 Ca -0.11 -0.38 -0.08 0.00 -0.00 0.00 0.00 55.06 54.49 3a16 s HIS 79 Cb -0.04 0.13 -0.01 0.00 -0.00 0.00 0.00 32.58 32.66 3a16 s HIS 79 CO 0.02 -0.69 0.22 0.16 -0.00 0.00 0.00 174.74 174.45 3a16 s ASP 80 N -2.86 0.10 -0.04 7.38 1.47 -0.68 -5.00 116.67 117.04 3a16 s ASP 80 Ca 0.07 -0.82 0.06 0.00 1.18 0.00 0.00 52.55 53.04 3a16 s ASP 80 Cb 0.03 0.38 -0.01 0.00 -0.34 0.00 0.00 42.92 42.98 3a16 s ASP 80 CO -0.08 -0.81 -0.24 -0.76 0.68 0.00 0.00 175.17 173.95 3a16 s LEU 81 N -2.94 2.05 0.15 2.11 1.43 -1.26 -1.13 118.68 119.08 3a16 s LEU 81 Ca 0.13 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3a16 s LEU 81 Cb 0.04 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 3a16 s LEU 81 CO -0.04 0.26 0.05 0.42 0.23 0.00 0.00 176.35 177.27 3a16 s THR 82 N -0.29 0.20 -0.01 5.49 -4.23 -0.22 -0.88 115.64 115.70 3a16 s THR 82 Ca 0.01 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 3a16 s THR 82 Cb -0.12 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 3a16 s THR 82 CO 0.02 -0.41 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.32 3a16 s HIS 83 N -3.99 0.82 0.15 3.99 5.04 0.35 -1.10 115.29 120.54 3a16 s HIS 83 Ca 0.26 -0.16 -0.12 0.00 -1.54 0.00 0.00 55.06 53.50 3a16 s HIS 83 Cb 0.07 -0.54 0.01 0.00 0.04 0.00 0.00 32.58 32.16 3a16 s HIS 83 CO 0.03 -0.03 0.34 -3.38 -2.34 0.00 0.00 174.74 169.36 3a16 s HIS 84 N -0.14 0.16 -0.20 3.88 -3.43 -0.80 -0.98 115.29 113.78 3a16 s HIS 84 Ca 0.02 -0.52 -0.04 0.00 -0.80 0.00 0.00 55.06 53.72 3a16 s HIS 84 Cb -0.04 0.09 -0.02 0.00 -1.43 0.00 0.00 32.58 31.17 3a16 s HIS 84 CO -0.00 -0.73 -0.02 0.42 -2.00 0.00 0.00 174.74 172.41 3a16 s ILE 85 N -3.91 3.80 0.96 -5.38 1.01 -1.26 -0.55 121.20 115.88 3a16 s ILE 85 Ca 0.11 -0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 3a16 s ILE 85 Cb 0.02 -2.71 0.20 0.00 0.01 0.00 0.00 42.46 39.99 3a16 s ILE 85 CO -0.04 0.44 1.31 1.51 0.00 0.00 0.00 174.94 178.16 3a16 s ASP 86 N 0.98 3.10 0.00 3.58 1.47 -0.16 -4.93 116.67 120.71 3a16 s ASP 86 Ca 0.01 0.17 0.30 0.00 1.18 0.00 0.00 52.55 54.21 3a16 s ASP 86 Cb -0.14 -0.20 1.82 0.00 -0.34 0.00 0.00 42.92 44.06 3a16 s ASP 86 CO 0.01 -2.74 2.15 -0.46 0.68 0.00 0.00 175.17 174.81 3a16 n ASN 87 N -3.73 0.00 -1.08 2.11 0.23 -1.26 -1.83 115.26 109.70 3a16 n ASN 87 Ca 0.16 -0.95 0.11 0.00 -0.53 0.00 0.00 54.58 53.37 3a16 n ASN 87 Cb 0.59 -0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.49 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 -1.00 2.41 -0.90 -3.83 1.13 -1.26 -4.97 117.38 108.96 3a16 n GLN 88 Ca 0.23 -2.21 0.00 0.00 -1.94 0.00 0.00 57.00 53.07 3a16 n GLN 88 Cb 0.11 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.98 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 0.67 3.79 1.08 0.00 -0.76 -5.05 105.19 106.30 3a16 n GLY 89 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 3.82 0.22 1.61 1.51 -1.26 -4.79 117.35 115.90 3a16 s TYR 90 Ca 0.00 1.42 -0.23 0.00 -1.01 0.00 0.00 57.07 57.24 3a16 s TYR 90 Cb 0.00 -2.64 -0.08 0.00 -0.11 0.00 0.00 41.96 39.13 3a16 s TYR 90 CO 0.00 0.50 0.79 -1.21 -1.11 0.00 0.00 175.55 174.52 3a16 s GLU 91 N -0.91 4.44 -0.09 -0.62 2.02 0.16 -0.98 118.70 122.72 3a16 s GLU 91 Ca 0.33 1.07 -0.01 0.00 0.02 0.00 0.00 54.97 56.38 3a16 s GLU 91 Cb -0.21 -3.01 0.03 0.00 0.10 0.00 0.00 34.13 31.04 3a16 s GLU 91 CO 0.22 0.44 -0.02 -0.80 0.02 0.00 0.00 175.26 175.12 3a16 s ASN 92 N -1.45 1.80 -0.23 -0.19 0.01 0.29 -1.31 114.94 113.86 3a16 s ASN 92 Ca 0.42 -0.17 -0.13 0.00 -0.71 0.00 0.00 52.86 52.26 3a16 s ASN 92 Cb -0.20 -0.57 -0.04 0.00 0.41 0.00 0.00 41.25 40.86 3a16 s ASN 92 CO 0.24 -0.17 0.30 -0.76 -1.51 0.00 0.00 177.10 175.19 3a16 s LEU 93 N 1.89 4.11 -0.14 0.60 1.43 0.34 -1.91 118.68 124.99 3a16 s LEU 93 Ca 0.05 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3a16 s LEU 93 Cb -0.12 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.79 3a16 s LEU 93 CO -0.06 -0.04 -0.13 -0.63 0.23 0.00 0.00 176.35 175.72 3a16 s ILE 94 N 1.39 1.44 -0.28 -0.59 1.01 -0.26 -0.16 121.20 123.74 3a16 s ILE 94 Ca 0.13 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.11 3a16 s ILE 94 Cb -0.15 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 3a16 s ILE 94 CO 0.07 0.44 0.28 -0.69 0.00 0.00 0.00 174.94 175.04 3a16 s VAL 95 N 1.54 5.24 -0.20 2.92 1.01 0.29 -1.05 120.40 130.15 3a16 s VAL 95 Ca 0.05 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 3a16 s VAL 95 Cb -0.13 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3a16 s VAL 95 CO -0.10 0.17 0.02 0.54 0.00 0.00 0.00 175.10 175.73 3a16 s VAL 96 N 1.91 4.17 0.02 2.92 0.11 -0.28 -0.44 120.40 128.80 3a16 s VAL 96 Ca 0.11 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.94 3a16 s VAL 96 Cb -0.16 -2.89 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 3a16 s VAL 96 CO 0.11 0.42 0.02 -0.83 -3.33 0.00 0.00 175.10 171.48 3a16 s GLY 97 N 0.95 1.91 -0.13 6.54 0.00 0.21 -1.68 107.32 115.11 3a16 s GLY 97 Ca 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.80 3a16 s GLY 97 CO 0.02 -0.87 -0.22 -0.19 0.00 0.00 0.00 173.10 171.85 3a16 s TYR 98 N -1.16 2.65 0.08 1.90 1.51 0.04 -1.37 117.35 121.00 3a16 s TYR 98 Ca 0.22 -1.17 0.07 0.00 -1.01 0.00 0.00 57.07 55.18 3a16 s TYR 98 Cb -0.12 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 3a16 s TYR 98 CO 0.13 -0.50 -0.11 -1.58 -1.11 0.00 0.00 175.55 172.37 3a16 s TRP 99 N 0.61 2.72 -1.17 2.71 0.51 -0.20 -0.35 118.94 123.77 3a16 s TRP 99 Ca -0.12 -0.16 0.27 0.00 -2.12 0.00 0.00 56.10 53.97 3a16 s TRP 99 Cb -0.16 -1.46 0.88 0.00 -0.81 0.00 0.00 33.47 31.91 3a16 s TRP 99 CO 0.03 0.39 1.66 1.63 -0.51 0.00 0.00 176.95 180.15 3a16 n LYS 100 N 0.99 0.18 -3.63 4.98 5.02 -1.26 -1.70 118.16 122.74 3a16 n LYS 100 Ca -0.14 -0.08 -0.15 0.00 -2.02 0.00 0.00 58.31 55.93 3a16 n LYS 100 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.87 -0.40 0.14 4.39 -4.77 -1.23 -4.53 116.67 107.40 3a16 s ASP 101 Ca 0.16 0.26 -0.13 0.00 -3.30 0.00 0.00 52.55 49.54 3a16 s ASP 101 Cb 0.19 0.44 0.01 0.00 -1.09 0.00 0.00 42.92 42.47 3a16 s ASP 101 CO 0.60 -0.61 1.62 0.58 0.70 0.00 0.00 175.17 178.06 3a16 h VAL 102 N 3.18 1.25 -0.50 2.11 2.07 -1.88 -3.11 116.25 119.37 3a16 h VAL 102 Ca -0.30 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.21 3a16 h VAL 102 Cb 1.18 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3a16 h VAL 102 CO 0.41 0.33 0.03 0.77 0.02 0.00 0.00 177.57 179.13 3a16 h SER 103 N 0.66 0.77 -0.49 0.57 4.64 -1.97 -1.58 113.55 116.14 3a16 h SER 103 Ca 0.14 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 3a16 h SER 103 Cb 0.41 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3a16 h SER 103 CO 0.01 0.82 -0.06 0.77 -0.87 0.00 0.00 176.83 177.50 3a16 h SER 104 N 0.76 0.94 -0.43 4.97 4.64 -1.91 -0.13 113.55 122.38 3a16 h SER 104 Ca 0.15 -0.28 -0.11 0.00 -0.47 0.00 0.00 61.79 61.09 3a16 h SER 104 Cb 0.41 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3a16 h SER 104 CO 0.01 1.03 -0.12 -0.61 -0.87 0.00 0.00 176.83 176.27 3a16 h GLN 105 N 0.86 0.90 -0.32 4.77 -0.00 -1.42 -1.50 115.11 118.40 3a16 h GLN 105 Ca 0.15 -0.32 -0.04 0.00 -0.00 0.00 0.00 58.65 58.43 3a16 h GLN 105 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 3a16 h GLN 105 CO 0.04 0.97 0.04 1.25 0.00 0.00 0.00 178.83 181.12 3a16 h HIS 106 N 0.80 0.58 -0.78 3.99 2.76 -1.01 0.94 115.15 122.43 3a16 h HIS 106 Ca 0.13 -0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 3a16 h HIS 106 Cb 0.65 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.41 3a16 h HIS 106 CO 0.04 0.63 0.50 0.00 -1.30 0.00 0.00 177.93 177.80 3a16 h ARG 107 N 0.36 0.96 -0.13 5.26 3.08 -0.90 -0.74 114.38 122.27 3a16 h ARG 107 Ca 0.10 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3a16 h ARG 107 Cb 0.37 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3a16 h ARG 107 CO 0.01 0.63 0.01 2.35 -1.07 0.00 0.00 179.97 181.90 3a16 h TRP 108 N 0.99 0.23 -0.00 3.04 7.01 -1.05 -2.04 115.95 124.12 3a16 h TRP 108 Ca 0.31 -0.04 -0.06 0.00 2.11 0.00 0.00 58.89 61.21 3a16 h TRP 108 Cb -0.02 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 3a16 h TRP 108 CO -0.03 0.42 -0.28 0.77 -2.79 0.00 0.00 178.44 176.53 3a16 h SER 109 N -0.03 0.01 0.16 2.65 0.02 -0.56 -2.77 113.55 113.03 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 0.32 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3a16 h SER 109 CO 0.00 0.29 -0.61 0.35 -1.14 0.00 0.00 176.83 175.73 3a16 n THR 110 N -4.20 0.00 -1.90 -2.27 -2.24 -0.31 -3.45 114.28 99.91 3a16 n THR 110 Ca -0.02 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 3a16 n THR 110 Cb 0.33 0.77 0.03 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.77 5.51 0.16 3.42 1.04 -0.77 -4.67 113.70 115.62 3a16 s SER 111 Ca 0.15 2.66 -0.23 0.00 0.48 0.00 0.00 55.95 59.01 3a16 s SER 111 Cb 0.18 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.71 3a16 s SER 111 CO 0.69 -1.40 1.61 0.74 0.98 0.00 0.00 173.24 175.86 3a16 h THR 112 N 1.58 0.30 0.00 2.02 2.02 -1.91 0.14 112.91 117.06 3a16 h THR 112 Ca -0.50 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 3a16 h THR 112 Cb 1.29 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3a16 h THR 112 CO 0.58 0.00 -0.09 1.55 0.37 0.00 0.00 175.52 177.93 3a16 h PRO 113 N -0.26 0.00 0.00 6.66 0.13 -1.93 -0.21 132.00 136.39 3a16 h PRO 113 Ca 0.16 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.12 3a16 h PRO 113 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 3a16 h PRO 113 CO -0.46 0.09 -0.93 0.82 -0.23 0.00 0.00 178.00 177.29 3a16 h ILE 114 N 0.00 0.97 -0.55 -3.56 1.08 -1.66 -3.29 117.51 110.50 3a16 h ILE 114 Ca -0.00 -2.07 -0.07 0.00 -0.39 0.00 0.00 64.86 62.33 3a16 h ILE 114 Cb 0.21 2.18 -0.02 0.00 -3.07 0.00 0.00 36.82 36.12 3a16 h ILE 114 CO 0.01 0.33 0.08 0.00 -0.69 0.00 0.00 178.15 177.88 3a16 h ALA 115 N -0.46 1.10 -0.56 1.87 0.00 -0.68 -2.21 119.26 118.32 3a16 h ALA 115 Ca -0.25 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 3a16 h ALA 115 Cb 1.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3a16 h ALA 115 CO -0.15 0.59 0.03 0.66 0.00 0.00 0.00 179.25 180.38 3a16 h SER 116 N 0.84 0.90 -0.30 0.00 4.64 -1.23 -1.70 113.55 116.70 3a16 h SER 116 Ca 0.17 -0.22 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 3a16 h SER 116 Cb 0.39 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3a16 h SER 116 CO 0.01 0.94 -0.03 -0.25 -0.87 0.00 0.00 176.83 176.62 3a16 h TRP 117 N 0.87 0.60 -0.24 4.77 7.01 -1.56 -2.19 115.95 125.21 3a16 h TRP 117 Ca 0.17 -0.12 -0.11 0.00 2.11 0.00 0.00 58.89 60.94 3a16 h TRP 117 Cb 0.47 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 3a16 h TRP 117 CO 0.03 0.71 -0.32 2.35 -2.79 0.00 0.00 178.44 178.42 3a16 h TRP 118 N 0.32 0.57 -0.00 2.65 2.91 -1.29 -3.15 115.95 117.96 3a16 h TRP 118 Ca 0.08 -0.14 0.00 0.00 1.13 0.00 0.00 58.89 59.96 3a16 h TRP 118 Cb 0.49 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.01 3a16 h TRP 118 CO 0.04 0.76 -0.37 0.39 -1.03 0.00 0.00 178.44 178.23 3a16 n GLU 119 N -4.08 0.22 -1.83 2.65 1.02 -0.65 -4.93 120.64 113.04 3a16 n GLU 119 Ca -0.01 -0.11 -0.39 0.00 -0.02 0.00 0.00 57.16 56.62 3a16 n GLU 119 Cb 0.45 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.40 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 -2.86 5.73 0.29 1.62 0.15 -0.83 -4.89 113.70 112.92 3a16 s SER 120 Ca 0.15 2.83 0.25 0.00 0.70 0.00 0.00 55.95 59.88 3a16 s SER 120 Cb 0.18 -2.65 1.02 0.00 -1.71 0.00 0.00 66.02 62.87 3a16 s SER 120 CO 0.63 -1.26 1.74 -0.33 1.20 0.00 0.00 173.24 175.21 3a16 h GLU 121 N 2.08 0.00 -0.14 5.44 3.07 -1.91 -2.62 114.58 120.50 3a16 h GLU 121 Ca -0.51 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.31 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 0.60 0.00 -0.09 -0.44 -1.40 0.00 0.00 179.01 177.68 3a16 h ASP 122 N 0.00 0.19 -0.53 1.42 5.19 -1.93 -1.89 116.42 118.87 3a16 h ASP 122 Ca 0.00 -0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.41 3a16 h ASP 122 Cb 0.38 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.81 3a16 h ASP 122 CO 0.00 0.31 0.35 0.03 -3.12 0.00 0.00 179.24 176.81 3a16 h ARG 123 N 0.20 0.60 -0.02 3.56 2.47 -1.76 0.26 114.38 119.69 3a16 h ARG 123 Ca 0.04 -0.04 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 3a16 h ARG 123 Cb 0.29 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3a16 h ARG 123 CO 0.02 0.40 -0.77 -0.07 0.56 0.00 0.00 179.97 180.10 3a16 h LEU 124 N 0.62 0.20 0.00 3.04 3.38 -1.52 -3.33 115.31 117.69 3a16 h LEU 124 Ca 0.21 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3a16 h LEU 124 Cb 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3a16 h LEU 124 CO -0.05 0.90 -0.83 -1.54 0.09 0.00 0.00 178.44 177.00 3a16 n SER 125 N -3.71 0.64 0.20 -0.43 3.41 -0.73 -4.22 113.62 108.78 3a16 n SER 125 Ca -0.03 -0.28 0.06 0.00 -0.26 0.00 0.00 58.87 58.36 3a16 n SER 125 Cb 0.74 0.59 0.55 0.00 -0.26 0.00 0.00 64.21 65.83 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 0.09 0.00 4.04 5.19 -0.63 -3.46 116.42 121.65 3a16 h ASP 126 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3a16 h ASP 126 Cb 0.64 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.12 3a16 h ASP 126 CO 0.00 0.13 0.00 0.61 -3.12 0.00 0.00 179.24 176.86 3a16 n GLY 127 N -1.35 3.18 3.83 2.75 0.00 -1.26 -5.03 105.19 107.32 3a16 n GLY 127 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 3.47 0.21 0.99 1.43 -1.26 -5.01 118.68 118.51 3a16 s LEU 128 Ca 0.00 1.65 -0.20 0.00 -1.03 0.00 0.00 54.13 54.55 3a16 s LEU 128 Cb 0.00 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.63 3a16 s LEU 128 CO 0.00 -0.95 0.73 -0.83 0.23 0.00 0.00 176.35 175.53 3a16 s GLY 129 N -3.18 2.66 0.05 -3.19 0.00 0.42 -4.71 107.32 99.37 3a16 s GLY 129 Ca 0.60 0.19 0.05 0.00 0.00 0.00 0.00 44.72 45.56 3a16 s GLY 129 CO 0.39 0.57 -0.15 -1.36 0.00 0.00 0.00 173.10 172.56 3a16 s PHE 130 N -1.46 1.27 0.03 1.90 0.08 0.01 -0.48 117.98 119.33 3a16 s PHE 130 Ca 0.42 -0.38 -0.15 0.00 0.12 0.00 0.00 56.93 56.94 3a16 s PHE 130 Cb -0.18 -0.75 0.02 0.00 -0.57 0.00 0.00 43.02 41.55 3a16 s PHE 130 CO 0.22 0.05 0.33 -0.59 -0.10 0.00 0.00 175.22 175.12 3a16 s PHE 131 N -0.94 -0.16 -0.13 0.36 -0.12 -0.82 -0.25 117.98 115.92 3a16 s PHE 131 Ca 0.01 0.09 -0.01 0.00 -0.05 0.00 0.00 56.93 56.98 3a16 s PHE 131 Cb -0.08 0.12 0.04 0.00 -0.63 0.00 0.00 43.02 42.47 3a16 s PHE 131 CO 0.02 -0.50 -0.03 1.03 -0.05 0.00 0.00 175.22 175.69 3a16 s ARG 132 N -2.28 1.13 -0.41 1.99 0.52 -0.31 -0.54 118.95 119.06 3a16 s ARG 132 Ca -0.07 -0.26 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 3a16 s ARG 132 Cb -0.02 -1.62 0.11 0.00 0.52 0.00 0.00 34.95 33.94 3a16 s ARG 132 CO -0.01 -0.38 0.14 -1.21 0.02 0.00 0.00 175.30 173.86 3a16 s GLU 133 N 1.78 1.73 -0.17 3.54 2.02 0.48 -0.52 118.70 127.55 3a16 s GLU 133 Ca 0.03 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.90 3a16 s GLU 133 Cb -0.14 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.79 3a16 s GLU 133 CO -0.07 -1.01 -0.16 0.42 0.02 0.00 0.00 175.26 174.45 3a16 s ILE 134 N 0.54 2.45 0.03 -1.63 1.01 -0.06 -1.19 121.20 122.35 3a16 s ILE 134 Ca 0.13 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.98 3a16 s ILE 134 Cb -0.21 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 3a16 s ILE 134 CO -0.05 0.52 -0.09 0.68 0.00 0.00 0.00 174.94 175.99 3a16 s VAL 135 N 1.09 0.70 -0.46 2.92 -7.23 -0.35 -1.38 120.40 115.70 3a16 s VAL 135 Ca -0.00 -0.83 0.03 0.00 -1.81 0.00 0.00 61.98 59.37 3a16 s VAL 135 Cb -0.14 -0.67 0.16 0.00 0.56 0.00 0.00 36.38 36.28 3a16 s VAL 135 CO -0.06 -0.13 0.34 0.00 -0.31 0.00 0.00 175.10 174.94 3a16 s ALA 136 N -0.88 1.83 0.28 1.32 0.00 0.01 -0.68 121.76 123.64 3a16 s ALA 136 Ca -0.03 -2.62 -0.29 0.00 0.00 0.00 0.00 51.96 49.03 3a16 s ALA 136 Cb -0.07 -1.73 -0.09 0.00 0.00 0.00 0.00 23.12 21.23 3a16 s ALA 136 CO 0.01 -2.02 1.01 -1.25 0.00 0.00 0.00 175.76 173.50 3a16 s PRO 137 N -0.01 4.66 0.92 0.00 0.04 -1.21 -4.81 135.00 134.59 3a16 s PRO 137 Ca 0.27 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 3a16 s PRO 137 Cb -0.05 -3.09 0.15 0.00 0.04 0.00 0.00 34.50 31.55 3a16 s PRO 137 CO -0.14 0.30 1.10 1.03 0.04 0.00 0.00 177.00 179.34 3a16 s ARG 138 N -1.55 1.00 0.44 4.56 0.52 -1.26 -1.83 118.95 120.83 3a16 s ARG 138 Ca 0.45 1.21 0.13 0.00 -0.52 0.00 0.00 55.73 57.01 3a16 s ARG 138 Cb -0.27 -1.75 1.03 0.00 0.52 0.00 0.00 34.95 34.48 3a16 s ARG 138 CO 0.33 -2.53 2.00 0.00 0.02 0.00 0.00 175.30 175.12 3a16 h ALA 139 N -1.78 1.98 0.00 2.13 0.00 -1.60 0.18 119.26 120.18 3a16 h ALA 139 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3a16 h ALA 139 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3a16 h ALA 139 CO 0.48 -0.10 0.00 -0.85 0.00 0.00 0.00 179.25 178.78 3a16 n GLU 140 N -4.47 0.19 -0.22 0.00 0.28 -1.26 -3.84 120.64 111.33 3a16 n GLU 140 Ca 0.08 0.07 0.07 0.00 -0.16 0.00 0.00 57.16 57.22 3a16 n GLU 140 Cb 0.32 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 31.88 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 -1.38 2.81 -4.01 3.44 6.02 0.65 -1.36 117.38 123.55 3a16 n GLN 141 Ca 0.09 -2.19 -0.08 0.00 -0.01 0.00 0.00 57.00 54.81 3a16 n GLN 141 Cb 0.23 -1.34 -0.10 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.00 0.34 0.08 1.08 -0.12 -1.23 -0.88 117.98 116.25 3a16 s PHE 142 Ca 0.29 -0.72 0.03 0.00 -0.05 0.00 0.00 56.93 56.48 3a16 s PHE 142 Cb 0.15 -0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 3a16 s PHE 142 CO 0.20 -0.29 -0.09 -1.83 -0.05 0.00 0.00 175.22 173.16 3a16 s GLU 143 N -2.56 0.74 0.13 1.99 4.04 0.05 -4.63 118.70 118.45 3a16 s GLU 143 Ca -0.06 -1.05 0.06 0.00 0.04 0.00 0.00 54.97 53.96 3a16 s GLU 143 Cb -0.02 -0.41 -0.04 0.00 0.02 0.00 0.00 34.13 33.68 3a16 s GLU 143 CO -0.05 0.06 -0.14 0.95 -1.84 0.00 0.00 175.26 174.24 3a16 s THR 144 N -2.25 1.34 -0.14 1.83 -4.23 -1.26 -1.16 115.64 109.77 3a16 s THR 144 Ca 0.01 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 58.68 3a16 s THR 144 Cb -0.04 -1.60 0.06 0.00 1.34 0.00 0.00 72.50 72.27 3a16 s THR 144 CO -0.01 -0.46 0.32 -0.22 -0.54 0.00 0.00 174.62 173.72 3a16 s LEU 145 N -2.58 -0.12 -0.05 4.79 2.96 -0.42 -4.67 118.68 118.60 3a16 s LEU 145 Ca 0.11 0.72 0.05 0.00 -0.22 0.00 0.00 54.13 54.78 3a16 s LEU 145 Cb -0.04 0.98 -0.00 0.00 0.50 0.00 0.00 46.19 47.63 3a16 s LEU 145 CO 0.03 -0.21 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.35 3a16 s TYR 146 N 1.89 1.96 -0.25 5.38 2.02 0.13 -1.08 117.35 127.39 3a16 s TYR 146 Ca -0.05 -0.61 0.02 0.00 -0.37 0.00 0.00 57.07 56.06 3a16 s TYR 146 Cb -0.11 -1.31 0.34 0.00 -0.40 0.00 0.00 41.96 40.48 3a16 s TYR 146 CO -0.10 -0.21 1.55 0.00 -1.57 0.00 0.00 175.55 175.22 3a16 n ALA 147 N 3.18 4.28 -3.84 3.71 0.00 -0.10 -0.98 120.51 126.77 3a16 n ALA 147 Ca -0.18 -1.58 -0.07 0.00 0.00 0.00 0.00 53.44 51.61 3a16 n ALA 147 Cb 0.53 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.78 -0.07 -0.04 0.00 -0.71 -1.26 -4.75 117.98 109.36 3a16 s PHE 148 Ca 0.31 -0.46 0.05 0.00 -1.04 0.00 0.00 56.93 55.79 3a16 s PHE 148 Cb 0.26 0.75 -0.07 0.00 -1.21 0.00 0.00 43.02 42.75 3a16 s PHE 148 CO 0.05 -1.34 0.05 1.04 -1.34 0.00 0.00 175.22 173.68 3a16 n GLN 149 N -0.49 2.36 -4.11 1.99 6.02 -1.26 -4.59 117.38 117.31 3a16 n GLN 149 Ca -0.06 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.62 3a16 n GLN 149 Cb 0.59 -1.14 -0.07 0.00 1.02 0.00 0.00 30.24 30.65 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 -2.20 2.65 -1.01 -1.09 1.03 -1.26 -4.77 118.70 112.05 3a16 s GLU 150 Ca -0.02 -0.81 -0.12 0.00 0.03 0.00 0.00 54.97 54.04 3a16 s GLU 150 Cb 0.02 -2.59 -0.02 0.00 -0.80 0.00 0.00 34.13 30.75 3a16 s GLU 150 CO 0.22 0.54 0.77 -0.25 -1.33 0.00 0.00 175.26 175.22 3a16 n ASP 151 N 0.44 -5.95 -4.71 0.83 8.00 -1.26 -4.89 116.55 109.03 3a16 n ASP 151 Ca -0.10 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.19 3a16 n ASP 151 Cb 0.52 -3.81 -0.03 0.00 -0.02 0.00 0.00 41.12 37.78 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 -5.66 4.37 0.78 0.64 1.43 -1.26 -5.02 118.68 113.95 3a16 s LEU 152 Ca 0.33 2.62 -0.07 0.00 -1.03 0.00 0.00 54.13 55.97 3a16 s LEU 152 Cb -0.10 -3.58 0.12 0.00 0.03 0.00 0.00 46.19 42.65 3a16 s LEU 152 CO 0.83 -0.88 1.09 -2.16 0.23 0.00 0.00 176.35 175.45 3a16 s PRO 153 N 1.83 1.63 5.90 1.29 0.04 -1.26 -3.27 135.00 141.15 3a16 s PRO 153 Ca 0.73 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.22 3a16 s PRO 153 Cb -0.43 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3a16 s PRO 153 CO 0.32 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 176.16 3a16 n GLY 154 N -3.12 2.99 0.23 0.56 0.00 -1.26 -2.56 105.19 102.04 3a16 n GLY 154 Ca 0.12 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 0.84 -0.11 1.61 3.04 -1.99 -1.77 116.25 117.86 3a16 h VAL 155 Ca 0.00 -0.80 0.03 0.00 -1.01 0.00 0.00 66.70 64.92 3a16 h VAL 155 Cb 0.00 1.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.75 3a16 h VAL 155 CO 0.00 0.20 0.09 1.23 -1.01 0.00 0.00 177.57 178.08 3a16 h GLY 156 N 1.00 0.00 2.00 3.17 0.00 -1.78 -1.78 103.07 105.68 3a16 h GLY 156 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3a16 h GLY 156 CO 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.39 3a16 h ALA 157 N 1.92 1.41 -0.14 3.60 0.00 -1.30 -2.80 119.26 121.94 3a16 h ALA 157 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a16 h ALA 157 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3a16 h ALA 157 CO -0.00 0.22 0.00 1.33 0.00 0.00 0.00 179.25 180.80 3a16 n VAL 158 N -3.89 0.17 -1.98 0.00 0.24 -0.67 -4.95 118.33 107.25 3a16 n VAL 158 Ca -0.02 -0.58 -0.24 0.00 -2.04 0.00 0.00 64.34 61.46 3a16 n VAL 158 Cb 0.27 1.30 0.16 0.00 -1.47 0.00 0.00 33.84 34.09 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 1.28 -0.83 0.06 7.34 2.81 -1.06 -4.93 117.12 121.79 3a16 n MET 159 Ca 0.14 -1.90 0.09 0.00 -1.81 0.00 0.00 57.70 54.23 3a16 n MET 159 Cb 0.56 -1.02 -0.06 0.00 -0.71 0.00 0.00 33.22 31.99 3a16 n MET 159 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3a16 n ASP 160 N -3.53 0.63 0.00 7.83 8.00 0.14 -4.99 116.55 124.63 3a16 n ASP 160 Ca 0.14 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.89 3a16 n ASP 160 Cb 0.50 0.77 0.00 0.00 -0.02 0.00 0.00 41.12 42.37 3a16 n ASP 160 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a16 n GLY 161 N 1.25 -0.99 3.62 0.44 0.00 -0.88 -5.00 105.19 103.63 3a16 n GLY 161 Ca -0.03 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.00 3.69 0.90 -0.61 1.10 -1.26 -0.75 121.20 121.28 3a16 s ILE 162 Ca 0.00 -1.01 -0.14 0.00 -0.51 0.00 0.00 60.65 58.99 3a16 s ILE 162 Cb 0.00 -2.70 0.15 0.00 0.15 0.00 0.00 42.46 40.06 3a16 s ILE 162 CO 0.00 0.21 1.27 -0.94 -2.11 0.00 0.00 174.94 173.36 3a16 s SER 163 N -1.99 3.66 1.01 4.50 1.04 -0.15 -4.79 113.70 116.99 3a16 s SER 163 Ca 0.22 0.46 -0.07 0.00 0.48 0.00 0.00 55.95 57.04 3a16 s SER 163 Cb -0.11 -0.68 0.09 0.00 0.10 0.00 0.00 66.02 65.42 3a16 s SER 163 CO 0.13 -2.41 0.49 0.61 0.98 0.00 0.00 173.24 173.05 3a16 n GLY 164 N -3.59 -1.45 3.73 7.32 0.00 -1.26 -4.74 105.19 105.20 3a16 n GLY 164 Ca 0.12 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -4.08 4.14 0.11 1.61 2.02 -1.26 -4.56 118.70 116.69 3a16 s GLU 165 Ca 0.28 2.55 0.03 0.00 0.02 0.00 0.00 54.97 57.86 3a16 s GLU 165 Cb -0.01 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 3a16 s GLU 165 CO 0.20 -0.67 0.14 0.96 0.02 0.00 0.00 175.26 175.91 3a16 s ILE 166 N 0.63 4.70 0.04 -1.63 -4.36 -0.73 -3.52 121.20 116.34 3a16 s ILE 166 Ca 0.69 -0.82 -0.15 0.00 -0.26 0.00 0.00 60.65 60.10 3a16 s ILE 166 Cb -0.48 -3.33 -0.34 0.00 1.25 0.00 0.00 42.46 39.56 3a16 s ILE 166 CO 0.39 0.02 1.03 -1.13 0.24 0.00 0.00 174.94 175.49 3a16 h ASN 167 N 2.84 0.85 -0.61 4.36 -0.73 -1.69 -3.42 115.58 117.19 3a16 h ASN 167 Ca -0.47 -0.88 -0.73 0.00 1.87 0.00 0.00 56.30 56.10 3a16 h ASN 167 Cb 1.18 -0.28 -0.08 0.00 0.27 0.00 0.00 38.32 39.41 3a16 h ASN 167 CO 0.66 1.68 2.75 -0.62 -0.37 0.00 0.00 177.43 181.53 3a16 n GLU 168 N -3.73 3.39 -3.83 6.67 4.71 -1.26 -4.58 120.64 122.01 3a16 n GLU 168 Ca -0.16 -2.97 -0.08 0.00 -0.01 0.00 0.00 57.16 53.94 3a16 n GLU 168 Cb 1.08 -3.04 -0.03 0.00 -1.01 0.00 0.00 31.44 28.44 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 1.66 -0.13 0.00 -0.32 -3.43 -1.26 -4.68 115.29 107.12 3a16 s HIS 169 Ca 0.47 -0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 3a16 s HIS 169 Cb 0.13 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.87 3a16 s HIS 169 CO -0.05 -1.14 0.00 0.41 -2.00 0.00 0.00 174.74 171.96 3a16 n GLY 170 N -0.43 0.80 3.46 -1.38 0.00 -1.26 -4.69 105.19 101.69 3a16 n GLY 170 Ca -0.05 -0.16 -0.15 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 -0.58 0.32 1.61 1.13 -1.26 -4.97 117.35 111.60 3a16 s TYR 171 Ca 0.00 1.28 -0.29 0.00 -1.41 0.00 0.00 57.07 56.65 3a16 s TYR 171 Cb 0.00 0.25 -0.11 0.00 -1.10 0.00 0.00 41.96 41.00 3a16 s TYR 171 CO 0.00 -0.39 1.51 -1.58 -2.51 0.00 0.00 175.55 172.58 3a16 s TRP 172 N -0.28 2.76 0.00 -3.49 0.52 -1.26 -1.31 118.94 115.89 3a16 s TRP 172 Ca -0.04 1.01 0.00 0.00 0.02 0.00 0.00 56.10 57.08 3a16 s TRP 172 Cb -0.03 -3.98 0.00 0.00 -1.15 0.00 0.00 33.47 28.31 3a16 s TRP 172 CO 0.03 -3.09 0.00 0.41 0.02 0.00 0.00 176.95 174.32 3a16 n GLY 173 N 1.48 2.42 0.27 0.98 0.00 -1.26 -4.94 105.19 104.12 3a16 n GLY 173 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 0.51 -0.21 1.61 4.64 -1.53 -2.82 113.55 115.75 3a16 h SER 174 Ca 0.00 -0.11 0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3a16 h SER 174 Cb 0.00 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 61.90 3a16 h SER 174 CO 0.00 0.61 -0.10 -0.03 -0.87 0.00 0.00 176.83 176.44 3a16 h MET 175 N 0.51 -0.08 -0.74 4.77 -1.53 -1.83 -1.50 114.93 114.54 3a16 h MET 175 Ca 0.10 0.01 0.11 0.00 -3.44 0.00 0.00 59.70 56.48 3a16 h MET 175 Cb 0.39 0.02 -0.08 0.00 -0.55 0.00 0.00 31.60 31.38 3a16 h MET 175 CO 0.02 -0.05 0.36 -0.09 0.14 0.00 0.00 176.91 177.28 3a16 h ARG 176 N -0.08 0.56 0.00 0.39 2.43 -1.91 -2.37 114.38 113.40 3a16 h ARG 176 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3a16 h ARG 176 Cb 0.25 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3a16 h ARG 176 CO -0.27 0.37 0.00 0.93 -1.51 0.00 0.00 179.97 179.50 3a16 h GLU 177 N 0.58 0.00 0.00 0.20 5.08 -1.11 -1.95 114.58 117.37 3a16 h GLU 177 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3a16 h GLU 177 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3a16 h GLU 177 CO -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.71 3a16 h ARG 178 N 0.00 0.00 -6.24 2.33 3.08 -0.76 -3.44 114.38 109.35 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 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3a16 h ARG 178 CO 0.00 0.00 1.03 -0.06 -1.07 0.00 0.00 179.97 179.87 3a16 s PHE 179 N -3.30 2.38 0.47 3.04 0.40 -0.74 -4.60 117.98 115.63 3a16 s PHE 179 Ca 0.06 0.63 0.18 0.00 -0.60 0.00 0.00 56.93 57.20 3a16 s PHE 179 Cb 0.06 -3.80 1.17 0.00 0.51 0.00 0.00 43.02 40.97 3a16 s PHE 179 CO 0.63 -2.65 1.99 -1.35 0.70 0.00 0.00 175.22 174.55 3a16 h PRO 180 N 9.41 0.24 0.00 0.24 0.11 -1.81 -0.55 132.00 139.63 3a16 h PRO 180 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3a16 h PRO 180 Cb 1.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3a16 h PRO 180 CO 0.98 0.16 0.00 0.97 -0.21 0.00 0.00 178.00 179.90 3a16 h ILE 181 N 0.24 0.00 0.00 4.15 2.10 -1.57 -2.61 117.51 119.82 3a16 h ILE 181 Ca 0.26 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.90 3a16 h ILE 181 Cb 0.68 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.55 3a16 h ILE 181 CO -0.05 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.48 3a16 n SER 182 N -2.63 0.52 0.22 2.19 3.41 -0.22 0.09 113.62 117.21 3a16 n SER 182 Ca 0.01 0.72 0.07 0.00 -0.26 0.00 0.00 58.87 59.41 3a16 n SER 182 Cb 0.23 -0.80 0.49 0.00 -0.26 0.00 0.00 64.21 63.87 3a16 n SER 182 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3a16 h GLN 183 N 0.00 0.00 0.00 4.33 4.20 -1.64 -3.36 115.11 118.63 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 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3a16 h GLN 183 CO 0.00 0.27 -0.31 0.25 -0.67 0.00 0.00 178.83 178.37 3a16 n THR 184 N -3.82 0.00 -4.53 -0.54 -2.24 -0.68 -1.41 114.28 101.05 3a16 n THR 184 Ca -0.01 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.50 3a16 n THR 184 Cb 0.36 0.41 -0.15 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.73 1.57 0.00 3.42 -1.08 0.11 -4.79 116.67 115.18 3a16 s ASP 185 Ca 0.00 -0.30 0.27 0.00 -0.52 0.00 0.00 52.55 52.00 3a16 s ASP 185 Cb 0.00 -0.15 1.20 0.00 -1.46 0.00 0.00 42.92 42.51 3a16 s ASP 185 CO 0.00 0.13 1.88 0.79 0.52 0.00 0.00 175.17 178.49 3a16 n TRP 186 N 2.53 0.00 -4.10 -5.34 7.02 -1.26 -4.11 117.44 112.17 3a16 n TRP 186 Ca -0.15 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.04 3a16 n TRP 186 Cb 0.55 -0.45 -0.05 0.00 -2.42 0.00 0.00 31.31 28.94 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 -1.45 -2.04 -2.89 -0.99 2.81 -1.26 -4.90 117.12 106.40 3a16 n MET 187 Ca 0.08 0.26 -0.41 0.00 -1.81 0.00 0.00 57.70 55.82 3a16 n MET 187 Cb 0.29 -4.00 -0.04 0.00 -0.71 0.00 0.00 33.22 28.77 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 -6.93 4.49 0.41 0.03 0.74 -1.26 -4.60 119.66 112.54 3a16 s GLN 188 Ca 0.05 1.13 -0.26 0.00 0.05 0.00 0.00 55.36 56.34 3a16 s GLN 188 Cb -0.02 -3.46 -0.08 0.00 1.10 0.00 0.00 33.01 30.55 3a16 s GLN 188 CO 0.94 0.00 1.28 0.00 -0.55 0.00 0.00 175.29 176.96 3a16 s ALA 189 N 0.93 3.22 0.00 1.58 0.00 -1.26 -4.64 121.76 121.59 3a16 s ALA 189 Ca 0.44 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.41 3a16 s ALA 189 Cb -0.19 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.49 3a16 s ALA 189 CO 0.23 -0.79 0.38 -1.54 0.00 0.00 0.00 175.76 174.03 3a16 s SER 190 N -0.82 -0.26 0.00 0.00 1.04 -1.12 -5.03 113.70 107.50 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 -0.37 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3a16 s SER 190 CO 0.47 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.76 3a16 n GLY 191 N 0.98 -2.59 3.44 7.32 0.00 -1.26 -2.63 105.19 110.45 3a16 n GLY 191 Ca -0.20 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.47 1.91 -0.35 1.61 8.01 -1.26 -4.93 118.70 123.22 3a16 s GLU 192 Ca 0.00 -1.07 -0.29 0.00 0.01 0.00 0.00 54.97 53.62 3a16 s GLU 192 Cb 0.00 -2.11 0.01 0.00 -4.31 0.00 0.00 34.13 27.72 3a16 s GLU 192 CO 0.00 0.52 1.26 -1.17 0.01 0.00 0.00 175.26 175.88 3a16 s LEU 193 N -1.59 3.79 -0.08 1.80 2.96 -1.26 -4.09 118.68 120.21 3a16 s LEU 193 Ca 0.15 0.99 0.03 0.00 -0.22 0.00 0.00 54.13 55.07 3a16 s LEU 193 Cb -0.10 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.05 3a16 s LEU 193 CO 0.06 -1.15 -0.16 -0.13 -1.32 0.00 0.00 176.35 173.65 3a16 s ARG 194 N 4.29 2.13 0.11 1.98 0.52 -0.80 0.12 118.95 127.29 3a16 s ARG 194 Ca 0.54 -0.56 -0.31 0.00 -0.52 0.00 0.00 55.73 54.88 3a16 s ARG 194 Cb -0.14 -1.69 -0.08 0.00 0.52 0.00 0.00 34.95 33.56 3a16 s ARG 194 CO 0.25 0.08 1.38 0.08 0.02 0.00 0.00 175.30 177.12 3a16 s VAL 195 N 0.55 3.33 -0.01 3.52 1.01 0.47 -0.10 120.40 129.16 3a16 s VAL 195 Ca -0.16 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.78 3a16 s VAL 195 Cb -0.16 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3a16 s VAL 195 CO 0.05 0.07 0.02 2.30 0.00 0.00 0.00 175.10 177.54 3a16 n ILE 196 N 3.96 0.00 -3.72 2.22 -5.35 0.35 -4.46 119.36 112.37 3a16 n ILE 196 Ca 0.11 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 3a16 n ILE 196 Cb 0.42 0.76 -0.09 0.00 -1.74 0.00 0.00 39.64 38.99 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 -1.52 -1.10 0.00 -1.28 0.00 -1.13 -4.98 121.76 111.75 3a16 s ALA 197 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3a16 s ALA 197 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3a16 s ALA 197 CO 0.02 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3a16 n GLY 198 N 2.61 -2.23 2.83 0.00 0.00 -1.26 -0.55 105.19 106.60 3a16 n GLY 198 Ca -0.14 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.26 0.84 0.39 1.61 -1.08 -1.26 -4.90 116.67 109.00 3a16 s ASP 199 Ca 0.00 0.27 0.10 0.00 -0.52 0.00 0.00 52.55 52.40 3a16 s ASP 199 Cb 0.00 0.29 0.88 0.00 -1.46 0.00 0.00 42.92 42.63 3a16 s ASP 199 CO 0.00 -0.25 1.93 -0.65 0.52 0.00 0.00 175.17 176.72 3a16 h PRO 200 N 8.36 0.58 0.00 4.34 0.11 -1.92 -1.89 132.00 141.58 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 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3a16 h PRO 200 CO 0.16 0.39 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 3a16 h ALA 201 N 1.63 1.00 0.00 -0.75 0.00 -1.96 -2.99 119.26 116.19 3a16 h ALA 201 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3a16 h ALA 201 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3a16 h ALA 201 CO -0.13 0.00 -1.33 0.28 0.00 0.00 0.00 179.25 178.08 3a16 n VAL 202 N -3.07 0.00 -3.80 0.00 0.31 -0.73 -5.07 118.33 105.96 3a16 n VAL 202 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3a16 n VAL 202 Cb 0.27 0.63 0.00 0.00 -0.91 0.00 0.00 33.84 33.83 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 1.42 -0.14 7.00 2.92 0.00 -1.09 -5.03 105.19 110.27 3a16 n GLY 203 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 1.63 3.64 -0.02 0.00 -1.26 -4.56 105.19 104.63 3a16 n GLY 204 Ca 0.00 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 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 4.16 -0.02 1.61 0.52 -1.26 -0.99 118.95 122.98 3a16 s ARG 205 Ca 0.00 0.63 0.06 0.00 -0.52 0.00 0.00 55.73 55.90 3a16 s ARG 205 Cb 0.00 -3.62 -0.02 0.00 0.52 0.00 0.00 34.95 31.84 3a16 s ARG 205 CO 0.00 -0.35 -0.20 0.08 0.02 0.00 0.00 175.30 174.85 3a16 s VAL 206 N 2.29 1.61 -0.11 3.52 1.01 0.26 -4.15 120.40 124.83 3a16 s VAL 206 Ca 0.28 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3a16 s VAL 206 Cb -0.16 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.90 3a16 s VAL 206 CO 0.09 0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 3a16 s VAL 207 N -0.48 1.48 -0.08 2.92 1.01 0.29 -0.35 120.40 125.19 3a16 s VAL 207 Ca 0.08 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3a16 s VAL 207 Cb -0.08 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3a16 s VAL 207 CO -0.01 0.44 -0.21 -0.69 0.00 0.00 0.00 175.10 174.63 3a16 s VAL 208 N 0.98 2.39 -0.15 2.92 1.01 0.58 -0.49 120.40 127.64 3a16 s VAL 208 Ca -0.07 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 3a16 s VAL 208 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3a16 s VAL 208 CO -0.01 0.56 0.04 -0.60 0.00 0.00 0.00 175.10 175.09 3a16 s ARG 209 N -0.05 3.70 1.09 2.72 3.52 0.86 -2.16 118.95 128.63 3a16 s ARG 209 Ca -0.06 -0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 55.04 3a16 s ARG 209 Cb -0.15 -3.08 0.23 0.00 -1.56 0.00 0.00 34.95 30.39 3a16 s ARG 209 CO 0.05 0.40 1.08 0.20 -0.81 0.00 0.00 175.30 176.21 3a16 s GLY 210 N -0.00 1.55 0.37 8.12 0.00 -1.26 -1.91 107.32 114.19 3a16 s GLY 210 Ca 0.05 -0.45 0.08 0.00 0.00 0.00 0.00 44.72 44.40 3a16 s GLY 210 CO 0.01 0.25 0.02 -2.38 0.00 0.00 0.00 173.10 171.00 3a16 s HIS 211 N -2.86 2.53 0.20 1.90 -3.43 -1.26 -4.64 115.29 107.73 3a16 s HIS 211 Ca 0.67 -0.53 -0.32 0.00 -0.80 0.00 0.00 55.06 54.08 3a16 s HIS 211 Cb -0.18 -1.62 -0.14 0.00 -1.43 0.00 0.00 32.58 29.21 3a16 s HIS 211 CO 0.59 0.44 1.41 -0.25 -2.00 0.00 0.00 174.74 174.93 3a16 n ASP 212 N -0.98 2.60 -2.36 7.38 8.00 -1.08 -2.79 116.55 127.32 3a16 n ASP 212 Ca -0.04 1.13 -0.20 0.00 0.71 0.00 0.00 54.79 56.38 3a16 n ASP 212 Cb 0.64 -1.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.34 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 2.46 -5.81 -4.65 -2.24 3.02 0.12 -2.79 115.26 105.36 3a16 n ASN 213 Ca 0.14 -0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 3a16 n ASN 213 Cb 0.29 -4.81 0.01 0.00 -0.61 0.00 0.00 39.78 34.66 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 -4.05 2.43 -4.71 2.41 5.41 -1.12 -4.06 119.36 115.68 3a16 n ILE 214 Ca -0.23 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.69 3a16 n ILE 214 Cb 0.68 -1.35 -0.12 0.00 -0.71 0.00 0.00 39.64 38.13 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 -1.21 2.78 -0.12 -1.39 0.00 -0.66 -2.92 121.76 118.23 3a16 s ALA 215 Ca 0.61 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.57 3a16 s ALA 215 Cb -0.55 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 21.60 3a16 s ALA 215 CO 0.58 0.58 -0.14 -1.17 0.00 0.00 0.00 175.76 175.60 3a16 s LEU 216 N -1.04 1.68 -0.14 0.00 2.96 -0.19 -0.05 118.68 121.90 3a16 s LEU 216 Ca 0.14 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3a16 s LEU 216 Cb -0.11 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 3a16 s LEU 216 CO 0.03 -0.02 -0.07 -0.51 -1.32 0.00 0.00 176.35 174.46 3a16 s ILE 217 N 1.21 3.61 -0.34 6.68 2.07 -0.33 -1.23 121.20 132.87 3a16 s ILE 217 Ca -0.02 -0.46 -0.04 0.00 -1.41 0.00 0.00 60.65 58.72 3a16 s ILE 217 Cb -0.14 -2.55 0.06 0.00 0.13 0.00 0.00 42.46 39.95 3a16 s ILE 217 CO -0.05 0.51 0.08 -0.60 -1.91 0.00 0.00 174.94 172.97 3a16 s ARG 218 N 0.25 2.44 -0.22 3.50 3.52 -0.20 -1.18 118.95 127.06 3a16 s ARG 218 Ca -0.05 -1.33 -0.01 0.00 -0.13 0.00 0.00 55.73 54.21 3a16 s ARG 218 Cb -0.14 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 3a16 s ARG 218 CO 0.04 -0.72 -0.11 0.45 -0.81 0.00 0.00 175.30 174.15 3a16 s SER 219 N 1.44 3.91 0.25 -2.12 0.15 -0.99 -0.79 113.70 115.55 3a16 s SER 219 Ca -0.01 -0.69 0.11 0.00 0.70 0.00 0.00 55.95 56.06 3a16 s SER 219 Cb -0.20 -1.62 -0.05 0.00 -1.71 0.00 0.00 66.02 62.44 3a16 s SER 219 CO -0.00 -0.06 -0.16 -0.83 1.20 0.00 0.00 173.24 173.40 3a16 s GLY 220 N 1.35 1.79 -0.04 9.45 0.00 0.16 -0.55 107.32 119.48 3a16 s GLY 220 Ca 0.03 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 43.01 3a16 s GLY 220 CO -0.07 -1.82 -0.06 1.20 0.00 0.00 0.00 173.10 172.35 3a16 s GLN 221 N -3.34 0.87 -0.18 2.90 1.11 -0.18 -2.78 119.66 118.06 3a16 s GLN 221 Ca 0.28 -0.15 -0.03 0.00 0.01 0.00 0.00 55.36 55.47 3a16 s GLN 221 Cb -0.06 -0.85 0.06 0.00 -1.01 0.00 0.00 33.01 31.15 3a16 s GLN 221 CO 0.15 -0.04 0.04 0.34 0.01 0.00 0.00 175.29 175.80 3a16 s ASP 222 N 0.73 2.71 -0.10 5.90 2.15 -0.26 -0.56 116.67 127.24 3a16 s ASP 222 Ca -0.10 -0.72 0.14 0.00 0.43 0.00 0.00 52.55 52.29 3a16 s ASP 222 Cb -0.13 -0.54 0.31 0.00 -0.30 0.00 0.00 42.92 42.27 3a16 s ASP 222 CO 0.01 -0.30 1.22 -2.67 -0.17 0.00 0.00 175.17 173.26 3a16 n TRP 223 N 5.09 0.35 0.24 -5.34 2.14 -0.77 -1.08 117.44 118.07 3a16 n TRP 223 Ca -0.08 -0.80 0.08 0.00 2.07 0.00 0.00 57.50 58.76 3a16 n TRP 223 Cb 0.48 -0.17 0.59 0.00 -0.81 0.00 0.00 31.31 31.40 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 0.83 1.48 -0.02 -1.67 0.00 -1.88 -2.93 119.26 115.07 3a16 h ALA 224 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3a16 h ALA 224 Cb 1.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3a16 h ALA 224 CO 0.07 0.22 -0.39 -0.25 0.00 0.00 0.00 179.25 178.89 3a16 n ASP 225 N -4.00 2.02 -4.78 0.00 8.00 -1.26 -4.99 116.55 111.54 3a16 n ASP 225 Ca -0.02 -1.51 -0.36 0.00 0.71 0.00 0.00 54.79 53.61 3a16 n ASP 225 Cb 0.26 0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.27 2.85 0.71 2.24 0.00 -1.11 -4.96 121.76 119.22 3a16 s ALA 226 Ca 0.18 0.83 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 3a16 s ALA 226 Cb 0.17 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 20.00 3a16 s ALA 226 CO 0.50 -0.63 1.02 -1.21 0.00 0.00 0.00 175.76 175.45 3a16 s GLU 227 N -3.01 2.20 0.22 0.00 0.41 -1.26 -4.75 118.70 112.52 3a16 s GLU 227 Ca 0.68 -0.22 -0.11 0.00 -0.41 0.00 0.00 54.97 54.90 3a16 s GLU 227 Cb -0.24 -2.16 0.29 0.00 -1.78 0.00 0.00 34.13 30.24 3a16 s GLU 227 CO 0.29 -1.25 1.64 0.00 -0.49 0.00 0.00 175.26 175.44 3a16 h ALA 228 N -0.62 0.54 -0.45 5.21 0.00 -1.98 0.66 119.26 122.62 3a16 h ALA 228 Ca -0.45 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3a16 h ALA 228 Cb 1.32 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 3a16 h ALA 228 CO 0.61 -0.42 0.11 0.38 0.00 0.00 0.00 179.25 179.93 3a16 h ASP 229 N 0.05 0.62 0.27 0.00 2.03 -1.98 -1.17 116.42 116.24 3a16 h ASP 229 Ca 0.33 -0.10 -0.34 0.00 -0.73 0.00 0.00 57.03 56.20 3a16 h ASP 229 Cb 0.53 -0.16 0.04 0.00 -0.83 0.00 0.00 39.33 38.91 3a16 h ASP 229 CO -0.62 0.62 -1.50 -0.08 -1.03 0.00 0.00 179.24 176.62 3a16 h GLU 230 N 0.65 0.53 -0.53 4.15 4.81 -1.58 -2.93 114.58 119.68 3a16 h GLU 230 Ca 0.15 -0.90 0.10 0.00 -0.13 0.00 0.00 59.36 58.58 3a16 h GLU 230 Cb 0.24 0.34 -0.08 0.00 0.63 0.00 0.00 28.75 29.88 3a16 h GLU 230 CO -0.00 1.43 0.04 0.00 -0.73 0.00 0.00 179.01 179.75 3a16 h ARG 231 N 0.14 0.16 -0.75 1.92 3.08 -0.67 -0.51 114.38 117.76 3a16 h ARG 231 Ca -0.26 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 3a16 h ARG 231 Cb 2.17 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 32.15 3a16 h ARG 231 CO 0.27 0.11 0.39 0.77 -1.07 0.00 0.00 179.97 180.44 3a16 h SER 232 N 0.16 0.95 -0.08 7.04 0.02 -1.30 -0.25 113.55 120.09 3a16 h SER 232 Ca 0.27 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3a16 h SER 232 Cb 0.41 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3a16 h SER 232 CO -0.41 0.79 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.93 3a16 h LEU 233 N 1.04 -0.21 0.20 5.07 3.38 -1.14 0.20 115.31 123.86 3a16 h LEU 233 Ca 0.26 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3a16 h LEU 233 Cb 0.06 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3a16 h LEU 233 CO -0.04 -0.09 -0.10 0.22 0.09 0.00 0.00 178.44 178.52 3a16 h TYR 234 N -0.08 -0.25 -0.11 1.13 3.20 -0.96 -0.49 116.97 119.41 3a16 h TYR 234 Ca 0.06 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 3a16 h TYR 234 Cb 0.16 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3a16 h TYR 234 CO -0.17 -0.07 -0.34 -0.07 -1.64 0.00 0.00 178.16 175.87 3a16 h LEU 235 N -0.38 0.22 0.00 2.82 3.38 -0.93 0.54 115.31 120.96 3a16 h LEU 235 Ca -0.03 -0.08 -0.35 0.00 0.09 0.00 0.00 57.88 57.52 3a16 h LEU 235 Cb 0.29 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3a16 h LEU 235 CO 0.05 0.55 -2.20 0.47 0.09 0.00 0.00 178.44 177.40 3a16 n ASP 236 N -4.09 0.24 -0.06 -0.43 8.00 0.70 -4.30 116.55 116.61 3a16 n ASP 236 Ca -0.01 0.12 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 3a16 n ASP 236 Cb 0.42 0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 42.18 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 -2.83 0.27 -0.09 -1.24 -0.58 -0.21 -4.68 120.64 111.28 3a16 n GLU 237 Ca -0.28 0.07 -0.15 0.00 -0.42 0.00 0.00 57.16 56.38 3a16 n GLU 237 Cb 1.13 -1.17 -0.09 0.00 -0.57 0.00 0.00 31.44 30.74 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 -0.08 0.79 -0.69 -3.67 2.04 -1.15 -3.38 117.51 111.37 3a16 h ILE 238 Ca -0.26 -1.84 0.14 0.00 1.00 0.00 0.00 64.86 63.90 3a16 h ILE 238 Cb 1.36 1.75 -0.10 0.00 -0.74 0.00 0.00 36.82 39.09 3a16 h ILE 238 CO -0.07 0.27 0.15 0.25 0.00 0.00 0.00 178.15 178.75 3a16 h LEU 239 N -1.00 -0.01 -1.13 1.44 5.85 -0.14 -1.73 115.31 118.59 3a16 h LEU 239 Ca -0.18 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.75 3a16 h LEU 239 Cb 0.96 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 3a16 h LEU 239 CO -0.11 -0.03 0.60 -0.65 -0.34 0.00 0.00 178.44 177.91 3a16 h PRO 240 N 0.26 1.01 -0.62 5.25 0.11 -1.77 0.20 132.00 136.43 3a16 h PRO 240 Ca 0.38 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.36 3a16 h PRO 240 Cb 0.62 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 3a16 h PRO 240 CO -0.48 0.67 0.13 1.79 -0.21 0.00 0.00 178.00 179.89 3a16 h THR 241 N 1.04 1.26 -0.30 -1.15 1.35 -1.52 -1.91 112.91 111.68 3a16 h THR 241 Ca 0.40 -0.97 -0.06 0.00 -0.55 0.00 0.00 66.41 65.23 3a16 h THR 241 Cb 0.21 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 3a16 h THR 241 CO -0.15 0.36 -0.03 0.25 -0.25 0.00 0.00 175.52 175.70 3a16 h LEU 242 N 0.93 0.55 -0.53 3.87 5.85 -0.75 -1.94 115.31 123.29 3a16 h LEU 242 Ca 0.19 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3a16 h LEU 242 Cb 0.40 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3a16 h LEU 242 CO 0.01 0.75 0.23 -0.61 -0.34 0.00 0.00 178.44 178.47 3a16 h GLN 243 N 0.33 0.42 -0.45 1.25 5.75 -0.60 -0.14 115.11 121.68 3a16 h GLN 243 Ca 0.08 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.59 3a16 h GLN 243 Cb 0.48 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.90 3a16 h GLN 243 CO 0.02 0.28 0.23 1.03 -2.65 0.00 0.00 178.83 177.74 3a16 h SER 244 N 0.43 0.34 -0.69 -0.69 0.87 -1.13 0.22 113.55 112.91 3a16 h SER 244 Ca 0.25 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 3a16 h SER 244 Cb 0.23 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3a16 h SER 244 CO -0.22 0.24 0.22 1.23 -0.53 0.00 0.00 176.83 177.77 3a16 h GLY 245 N 0.46 1.15 0.90 5.77 0.00 -0.88 -1.31 103.07 109.16 3a16 h GLY 245 Ca 0.19 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 3a16 h GLY 245 CO -0.13 0.63 -0.06 -0.33 0.00 0.00 0.00 176.54 176.65 3a16 h MET 246 N 1.00 0.59 -0.86 4.80 2.07 -0.72 -1.86 114.93 119.96 3a16 h MET 246 Ca 0.22 -0.22 0.02 0.00 -2.07 0.00 0.00 59.70 57.65 3a16 h MET 246 Cb 0.29 -0.04 -0.05 0.00 -1.87 0.00 0.00 31.60 29.94 3a16 h MET 246 CO -0.01 0.77 0.56 -0.44 1.07 0.00 0.00 176.91 178.86 3a16 h ASP 247 N 0.36 0.96 0.17 1.22 3.32 -0.87 -0.09 116.42 121.49 3a16 h ASP 247 Ca 0.08 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3a16 h ASP 247 Cb 0.55 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3a16 h ASP 247 CO 0.03 0.68 -0.22 0.15 -1.72 0.00 0.00 179.24 178.16 3a16 h PHE 248 N 1.13 -0.59 -0.67 4.55 3.57 -0.99 -1.52 116.94 122.42 3a16 h PHE 248 Ca 0.32 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 3a16 h PHE 248 Cb -0.09 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3a16 h PHE 248 CO -0.01 -0.32 0.25 -0.07 -2.23 0.00 0.00 178.31 175.92 3a16 h LEU 249 N -0.45 0.92 -1.00 0.59 3.38 -1.09 0.44 115.31 118.10 3a16 h LEU 249 Ca 0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3a16 h LEU 249 Cb 0.44 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3a16 h LEU 249 CO -0.09 0.83 0.37 -0.09 0.09 0.00 0.00 178.44 179.55 3a16 h ARG 250 N 0.97 1.08 0.00 1.13 2.43 -0.89 -2.79 114.38 116.31 3a16 h ARG 250 Ca 0.22 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3a16 h ARG 250 Cb 0.22 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3a16 h ARG 250 CO -0.02 0.83 -1.16 -0.25 -1.51 0.00 0.00 179.97 177.86 3a16 n ASP 251 N -4.32 0.91 -1.36 -3.80 8.00 -0.59 -4.43 116.55 110.96 3a16 n ASP 251 Ca 0.07 -0.55 -0.02 0.00 0.71 0.00 0.00 54.79 55.01 3a16 n ASP 251 Cb 0.13 1.30 0.11 0.00 -0.02 0.00 0.00 41.12 42.64 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 -1.66 2.25 0.10 -2.24 3.02 0.15 -4.93 115.26 111.95 3a16 n ASN 252 Ca 0.01 -3.25 -0.14 0.00 -0.03 0.00 0.00 54.58 51.17 3a16 n ASN 252 Cb 0.33 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 39.00 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 1.44 -0.80 1.33 7.41 0.00 -1.66 -2.76 103.07 108.02 3a16 h GLY 253 Ca 0.02 0.49 0.07 0.00 0.00 0.00 0.00 47.33 47.91 3a16 h GLY 253 CO 0.21 -0.26 0.28 -2.55 0.00 0.00 0.00 176.54 174.22 3a16 h PRO 254 N -0.62 0.22 -0.39 4.80 0.11 -1.90 0.22 132.00 134.44 3a16 h PRO 254 Ca 0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 3a16 h PRO 254 Cb 0.66 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 3a16 h PRO 254 CO -0.25 0.15 0.10 0.00 -0.21 0.00 0.00 178.00 177.78 3a16 h ALA 255 N 1.79 1.44 -0.01 -0.75 0.00 -1.86 -3.25 119.26 116.61 3a16 h ALA 255 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a16 h ALA 255 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3a16 h ALA 255 CO -0.03 0.41 -0.11 1.33 0.00 0.00 0.00 179.25 180.85 3a16 n VAL 256 N -4.33 0.00 -0.85 0.00 0.24 -0.80 -5.00 118.33 107.59 3a16 n VAL 256 Ca 0.02 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3a16 n VAL 256 Cb 0.19 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 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 0.75 0.92 3.34 7.63 0.00 -0.09 -4.75 105.19 112.98 3a16 n GLY 257 Ca 0.05 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 8.64 0.81 -2.45 0.00 0.05 -0.83 -3.36 116.97 119.83 3a16 h TYR 259 Ca -0.27 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 58.38 3a16 h TYR 259 Cb 1.10 -0.24 -0.25 0.00 1.01 0.00 0.00 36.73 38.35 3a16 h TYR 259 CO 0.63 0.67 -0.23 0.45 -1.05 0.00 0.00 178.16 178.64 3a16 s SER 260 N -6.59 -0.61 -0.11 3.88 0.15 -1.09 -4.75 113.70 104.59 3a16 s SER 260 Ca -0.10 1.08 0.01 0.00 0.70 0.00 0.00 55.95 57.65 3a16 s SER 260 Cb 0.16 1.06 0.02 0.00 -1.71 0.00 0.00 66.02 65.55 3a16 s SER 260 CO 0.79 -0.21 -0.12 0.21 1.20 0.00 0.00 173.24 175.11 3a16 s ASN 261 N 1.70 2.26 -0.06 5.45 2.47 -1.26 -0.72 114.94 124.78 3a16 s ASN 261 Ca -0.08 -0.38 0.04 0.00 0.42 0.00 0.00 52.86 52.86 3a16 s ASN 261 Cb -0.08 -0.98 -0.00 0.00 -1.45 0.00 0.00 41.25 38.73 3a16 s ASN 261 CO -0.15 -0.02 -0.19 -0.13 -3.72 0.00 0.00 177.10 172.89 3a16 s ARG 262 N 1.17 2.08 -0.35 0.43 0.52 -0.35 -4.65 118.95 117.81 3a16 s ARG 262 Ca -0.04 -0.67 -0.04 0.00 -0.52 0.00 0.00 55.73 54.47 3a16 s ARG 262 Cb -0.14 -1.74 0.07 0.00 0.52 0.00 0.00 34.95 33.66 3a16 s ARG 262 CO -0.03 0.22 0.10 0.12 0.02 0.00 0.00 175.30 175.73 3a16 s PHE 263 N 0.15 3.37 0.13 -0.53 5.36 -1.26 -0.72 117.98 124.48 3a16 s PHE 263 Ca -0.08 -1.93 0.09 0.00 -0.96 0.00 0.00 56.93 54.05 3a16 s PHE 263 Cb -0.13 -2.55 -0.04 0.00 -0.34 0.00 0.00 43.02 39.96 3a16 s PHE 263 CO 0.04 -0.84 -0.15 0.14 -1.46 0.00 0.00 175.22 172.94 3a16 s VAL 264 N 1.26 2.97 -0.11 3.12 -7.23 0.16 -4.72 120.40 115.86 3a16 s VAL 264 Ca 0.00 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 3a16 s VAL 264 Cb -0.21 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 3a16 s VAL 264 CO -0.01 0.04 -0.15 -0.60 -0.31 0.00 0.00 175.10 174.07 3a16 s ARG 265 N -2.34 3.15 0.50 4.82 6.06 -0.15 -1.09 118.95 129.89 3a16 s ARG 265 Ca 0.20 -0.72 -0.23 0.00 -2.50 0.00 0.00 55.73 52.48 3a16 s ARG 265 Cb -0.10 -2.52 -0.06 0.00 0.06 0.00 0.00 34.95 32.32 3a16 s ARG 265 CO 0.12 0.29 1.40 -0.80 -2.50 0.00 0.00 175.30 173.82 3a16 s ASN 266 N 0.12 5.53 0.12 -2.12 -0.87 -0.01 -0.50 114.94 117.21 3a16 s ASN 266 Ca -0.07 2.87 0.03 0.00 -1.57 0.00 0.00 52.86 54.11 3a16 s ASN 266 Cb -0.15 -2.65 -0.04 0.00 -0.02 0.00 0.00 41.25 38.39 3a16 s ASN 266 CO 0.05 -1.40 -0.08 0.27 -2.57 0.00 0.00 177.10 173.37 3a16 s ILE 267 N -1.24 0.88 0.87 0.60 -4.36 -0.06 -0.30 121.20 117.58 3a16 s ILE 267 Ca 0.67 -1.99 -0.09 0.00 -0.26 0.00 0.00 60.65 58.98 3a16 s ILE 267 Cb -0.43 -1.75 0.18 0.00 1.25 0.00 0.00 42.46 41.71 3a16 s ILE 267 CO 0.53 -0.82 1.19 1.51 0.24 0.00 0.00 174.94 177.58 3a16 s ASP 268 N -3.09 3.54 0.65 4.36 1.47 -0.19 -4.43 116.67 118.97 3a16 s ASP 268 Ca 0.14 -0.14 0.38 0.00 1.18 0.00 0.00 52.55 54.10 3a16 s ASP 268 Cb 0.04 0.02 2.09 0.00 -0.34 0.00 0.00 42.92 44.73 3a16 s ASP 268 CO -0.03 -2.43 2.22 -0.29 0.68 0.00 0.00 175.17 175.33 3a16 h ILE 269 N -1.17 0.11 -0.02 2.11 6.09 -1.98 -0.61 117.51 122.04 3a16 h ILE 269 Ca -0.39 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 3a16 h ILE 269 Cb 1.24 0.90 0.00 0.00 0.47 0.00 0.00 36.82 39.43 3a16 h ILE 269 CO 0.35 0.00 -0.11 0.47 -3.07 0.00 0.00 178.15 175.80 3a16 n ASP 270 N -3.20 2.53 0.00 2.19 8.00 -1.26 -4.85 116.55 119.95 3a16 n ASP 270 Ca -0.02 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.69 3a16 n ASP 270 Cb 0.18 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3a16 n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a16 n GLY 271 N 1.34 0.77 3.75 0.44 0.00 -0.24 -5.06 105.19 106.19 3a16 n GLY 271 Ca 0.14 -0.07 -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 -2.07 7.39 0.40 1.61 0.01 -1.26 -4.80 114.94 116.23 3a16 s ASN 272 Ca 0.00 1.66 -0.26 0.00 -0.71 0.00 0.00 52.86 53.55 3a16 s ASN 272 Cb 0.00 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 39.05 3a16 s ASN 272 CO 0.00 0.06 1.28 -0.36 -1.51 0.00 0.00 177.10 176.57 3a16 s PHE 273 N -0.47 2.86 0.24 2.20 0.08 -1.26 -1.02 117.98 120.61 3a16 s PHE 273 Ca 0.40 1.44 0.09 0.00 0.12 0.00 0.00 56.93 58.99 3a16 s PHE 273 Cb -0.23 -3.62 -0.04 0.00 -0.57 0.00 0.00 43.02 38.56 3a16 s PHE 273 CO 0.27 -1.95 -0.05 -0.51 -0.10 0.00 0.00 175.22 172.89 3a16 s LEU 274 N -2.44 3.08 -0.54 -0.37 1.43 0.59 -4.84 118.68 115.59 3a16 s LEU 274 Ca 0.57 -0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 3a16 s LEU 274 Cb -0.37 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 3a16 s LEU 274 CO 0.47 0.04 3.00 0.47 0.23 0.00 0.00 176.35 180.56 3a16 n ASP 275 N -0.56 6.53 -3.99 2.29 8.00 -1.26 -4.37 116.55 123.18 3a16 n ASP 275 Ca -0.08 -2.91 -0.12 0.00 0.71 0.00 0.00 54.79 52.38 3a16 n ASP 275 Cb 0.58 -1.34 -0.12 0.00 -0.02 0.00 0.00 41.12 40.22 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 -1.28 2.16 0.18 0.64 1.02 -1.26 -1.84 118.68 118.30 3a16 s LEU 276 Ca 0.62 -0.36 -0.06 0.00 0.02 0.00 0.00 54.13 54.34 3a16 s LEU 276 Cb 0.32 -0.10 -0.02 0.00 0.02 0.00 0.00 46.19 46.41 3a16 s LEU 276 CO -0.12 -0.14 0.24 -0.94 0.02 0.00 0.00 176.35 175.41 3a16 s SER 277 N -1.01 0.09 -0.01 2.29 1.04 0.28 -0.83 113.70 115.55 3a16 s SER 277 Ca -0.07 -1.06 -0.28 0.00 0.48 0.00 0.00 55.95 55.01 3a16 s SER 277 Cb -0.07 0.43 0.10 0.00 0.10 0.00 0.00 66.02 66.57 3a16 s SER 277 CO -0.00 -0.90 0.82 -0.72 0.98 0.00 0.00 173.24 173.42 3a16 s TYR 278 N -4.04 -0.44 0.09 5.02 1.13 -0.25 -1.01 117.35 117.86 3a16 s TYR 278 Ca 0.25 0.45 -0.27 0.00 -1.41 0.00 0.00 57.07 56.08 3a16 s TYR 278 Cb 0.04 0.51 -0.06 0.00 -1.10 0.00 0.00 41.96 41.35 3a16 s TYR 278 CO 0.05 -0.58 0.84 1.21 -2.51 0.00 0.00 175.55 174.56 3a16 s ASN 279 N -2.10 7.35 -0.33 -0.18 3.04 0.29 -0.66 114.94 122.34 3a16 s ASN 279 Ca 0.01 1.61 -0.01 0.00 0.04 0.00 0.00 52.86 54.51 3a16 s ASN 279 Cb -0.01 -2.52 0.08 0.00 -1.54 0.00 0.00 41.25 37.26 3a16 s ASN 279 CO -0.05 0.03 0.05 -0.63 -3.04 0.00 0.00 177.10 173.46 3a16 s ILE 280 N -0.26 2.86 -0.14 -5.21 1.01 0.10 -2.36 121.20 117.21 3a16 s ILE 280 Ca 0.41 -1.76 0.02 0.00 0.00 0.00 0.00 60.65 59.32 3a16 s ILE 280 Cb -0.22 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3a16 s ILE 280 CO 0.26 -0.34 -0.20 -0.83 0.00 0.00 0.00 174.94 173.83 3a16 s GLY 281 N 1.34 1.29 -0.19 6.18 0.00 -0.32 -1.21 107.32 114.41 3a16 s GLY 281 Ca 0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 44.72 43.65 3a16 s GLY 281 CO -0.03 0.08 0.00 0.30 0.00 0.00 0.00 173.10 173.44 3a16 s HIS 282 N 0.92 3.07 0.05 1.90 3.76 0.10 -1.19 115.29 123.90 3a16 s HIS 282 Ca -0.05 -0.32 0.09 0.00 -0.15 0.00 0.00 55.06 54.62 3a16 s HIS 282 Cb -0.15 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 3a16 s HIS 282 CO -0.03 -0.12 -0.25 -1.58 -0.85 0.00 0.00 174.74 171.91 3a16 s TRP 283 N 0.74 2.19 0.46 1.40 0.52 0.92 -0.17 118.94 125.00 3a16 s TRP 283 Ca 0.00 -0.40 0.26 0.00 0.02 0.00 0.00 56.10 55.98 3a16 s TRP 283 Cb -0.14 -1.31 1.49 0.00 -1.15 0.00 0.00 33.47 32.36 3a16 s TRP 283 CO 0.02 0.13 2.11 0.00 0.02 0.00 0.00 176.95 179.22 3a16 h ALA 284 N 4.77 1.39 -2.70 0.98 0.00 -0.54 -1.74 119.26 121.43 3a16 h ALA 284 Ca -0.46 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3a16 h ALA 284 Cb 1.15 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 3a16 h ALA 284 CO 0.43 0.12 0.15 -1.54 0.00 0.00 0.00 179.25 178.41 3a16 s SER 285 N -6.26 -0.53 0.25 0.00 1.04 -1.26 -4.47 113.70 102.47 3a16 s SER 285 Ca -0.03 0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.48 3a16 s SER 285 Cb 0.14 0.56 0.28 0.00 0.10 0.00 0.00 66.02 67.09 3a16 s SER 285 CO 0.59 -0.84 1.82 0.25 0.98 0.00 0.00 173.24 176.03 3a16 h LEU 286 N 2.37 0.98 -0.79 2.42 5.85 -1.81 -2.98 115.31 121.34 3a16 h LEU 286 Ca -0.32 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.13 3a16 h LEU 286 Cb 1.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3a16 h LEU 286 CO 0.40 0.87 -0.57 -2.24 -0.34 0.00 0.00 178.44 176.55 3a16 h ASP 287 N 1.04 0.00 -0.58 1.25 2.03 -1.94 -0.39 116.42 117.83 3a16 h ASP 287 Ca 0.24 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.51 3a16 h ASP 287 Cb 0.20 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.67 3a16 h ASP 287 CO -0.02 0.57 0.25 1.56 -1.03 0.00 0.00 179.24 180.57 3a16 h GLN 288 N 0.00 0.89 -0.67 4.15 4.20 -1.86 0.34 115.11 122.16 3a16 h GLN 288 Ca -0.01 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 3a16 h GLN 288 Cb 1.06 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 3a16 h GLN 288 CO 0.07 0.72 0.17 1.25 -0.67 0.00 0.00 178.83 180.38 3a16 h LEU 289 N 0.88 1.01 -0.10 1.46 5.85 -1.27 -1.75 115.31 121.37 3a16 h LEU 289 Ca 0.21 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3a16 h LEU 289 Cb 0.16 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3a16 h LEU 289 CO -0.02 0.98 0.04 -0.33 -0.34 0.00 0.00 178.44 178.76 3a16 h GLU 290 N 0.99 0.09 -0.52 1.25 5.08 -0.64 -1.97 114.58 118.86 3a16 h GLU 290 Ca 0.21 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3a16 h GLU 290 Cb 0.36 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3a16 h GLU 290 CO 0.00 0.06 0.32 0.00 -1.00 0.00 0.00 179.01 178.39 3a16 h ARG 291 N 0.09 0.63 0.02 2.33 2.47 -0.73 -2.09 114.38 117.09 3a16 h ARG 291 Ca 0.04 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3a16 h ARG 291 Cb 0.02 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 3a16 h ARG 291 CO -0.04 0.41 -0.01 2.35 0.56 0.00 0.00 179.97 183.24 3a16 h TRP 292 N 0.64 -0.03 -0.79 3.04 7.01 -1.19 -1.49 115.95 123.14 3a16 h TRP 292 Ca 0.21 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.24 3a16 h TRP 292 Cb -0.00 0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 3a16 h TRP 292 CO -0.06 0.18 0.52 0.66 -2.79 0.00 0.00 178.44 176.95 3a16 h SER 293 N -0.22 0.85 0.41 2.65 4.64 -1.22 -1.53 113.55 119.13 3a16 h SER 293 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3a16 h SER 293 Cb 0.21 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3a16 h SER 293 CO 0.00 0.59 -1.36 -1.84 -0.87 0.00 0.00 176.83 173.35 3a16 n GLU 294 N -4.45 0.49 0.00 4.77 0.28 -0.80 -4.28 120.64 116.66 3a16 n GLU 294 Ca 0.10 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 3a16 n GLU 294 Cb 0.10 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.35 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 -2.23 0.39 -4.72 -1.84 3.41 -0.57 -4.95 113.62 103.10 3a16 n SER 295 Ca -0.01 -0.03 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 3a16 n SER 295 Cb 0.51 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.21 3.74 0.54 7.33 2.46 -0.58 -4.94 115.29 123.63 3a16 s HIS 296 Ca 0.00 1.69 0.26 0.00 0.47 0.00 0.00 55.06 57.48 3a16 s HIS 296 Cb 0.00 -3.02 1.43 0.00 -0.13 0.00 0.00 32.58 30.86 3a16 s HIS 296 CO 0.00 0.15 2.00 -1.00 -2.47 0.00 0.00 174.74 173.42 3a16 h PRO 297 N 6.03 0.00 0.30 2.88 0.13 -1.97 -2.32 132.00 137.04 3a16 h PRO 297 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 3a16 h PRO 297 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3a16 h PRO 297 CO 0.73 0.00 -0.14 1.79 -0.23 0.00 0.00 178.00 180.15 3a16 h THR 298 N 0.00 0.74 -0.06 1.56 1.35 -1.92 0.19 112.91 114.77 3a16 h THR 298 Ca 0.23 -0.28 -0.13 0.00 -0.55 0.00 0.00 66.41 65.68 3a16 h THR 298 Cb 0.95 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 3a16 h THR 298 CO -0.00 0.06 -0.53 -0.74 -0.25 0.00 0.00 175.52 174.05 3a16 h HIS 299 N -0.54 0.21 -0.63 4.73 -0.00 -1.75 -2.13 115.15 115.04 3a16 h HIS 299 Ca -0.04 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 60.19 3a16 h HIS 299 Cb 0.40 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 3a16 h HIS 299 CO -0.02 0.67 0.13 -0.07 -0.00 0.00 0.00 177.93 178.64 3a16 h LEU 300 N 0.13 0.94 -0.29 0.26 3.38 -1.30 0.25 115.31 118.68 3a16 h LEU 300 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3a16 h LEU 300 Cb 0.99 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3a16 h LEU 300 CO 0.08 0.93 0.18 -0.09 0.09 0.00 0.00 178.44 179.63 3a16 h ARG 301 N 0.95 0.39 -0.19 1.13 2.43 -0.40 0.30 114.38 118.98 3a16 h ARG 301 Ca 0.20 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3a16 h ARG 301 Cb 0.37 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3a16 h ARG 301 CO 0.00 0.28 -0.03 0.82 -1.51 0.00 0.00 179.97 179.53 3a16 h ILE 302 N 0.38 0.83 -0.40 1.20 2.04 -1.01 -0.76 117.51 119.78 3a16 h ILE 302 Ca 0.10 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3a16 h ILE 302 Cb -0.01 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3a16 h ILE 302 CO -0.02 0.00 0.12 0.15 0.00 0.00 0.00 178.15 178.40 3a16 h PHE 303 N 0.02 0.66 -0.22 1.37 3.04 -0.20 -1.93 116.94 119.68 3a16 h PHE 303 Ca 0.09 -0.07 -0.13 0.00 3.98 0.00 0.00 57.97 61.84 3a16 h PHE 303 Cb 0.13 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 3a16 h PHE 303 CO -0.20 0.62 -0.42 1.79 -2.02 0.00 0.00 178.31 178.07 3a16 h THR 304 N 0.51 1.30 -0.47 4.41 1.35 -0.32 -2.99 112.91 116.70 3a16 h THR 304 Ca 0.13 -1.60 -0.09 0.00 -0.55 0.00 0.00 66.41 64.30 3a16 h THR 304 Cb 0.27 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 3a16 h THR 304 CO -0.00 0.50 -0.07 0.74 -0.25 0.00 0.00 175.52 176.44 3a16 h THR 305 N 0.44 1.27 -0.19 6.82 2.02 -1.05 -1.79 112.91 120.42 3a16 h THR 305 Ca 0.03 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.10 3a16 h THR 305 Cb 0.92 1.08 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 3a16 h THR 305 CO 0.08 0.40 -0.17 0.15 0.37 0.00 0.00 175.52 176.35 3a16 h PHE 306 N 0.71 -0.43 0.00 3.16 3.57 -1.31 -1.70 116.94 120.95 3a16 h PHE 306 Ca 0.12 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3a16 h PHE 306 Cb 0.60 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3a16 h PHE 306 CO 0.05 -0.24 -0.24 0.74 -2.23 0.00 0.00 178.31 176.38 3a16 h PHE 307 N -0.18 0.00 -0.44 0.41 0.04 -1.47 0.33 116.94 115.62 3a16 h PHE 307 Ca 0.12 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.85 3a16 h PHE 307 Cb 0.36 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3a16 h PHE 307 CO -0.31 0.24 0.13 -0.09 -0.60 0.00 0.00 178.31 177.69 3a16 h ARG 308 N 0.00 0.69 -0.00 1.51 2.43 -0.56 -3.30 114.38 115.16 3a16 h ARG 308 Ca -0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3a16 h ARG 308 Cb 0.70 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3a16 h ARG 308 CO 0.03 0.67 -0.96 1.33 -1.51 0.00 0.00 179.97 179.53 3a16 n VAL 309 N -4.55 0.00 -0.51 0.20 0.24 -0.71 -4.65 118.33 108.35 3a16 n VAL 309 Ca 0.00 -0.00 0.43 0.00 -2.04 0.00 0.00 64.34 62.73 3a16 n VAL 309 Cb 0.19 0.95 0.70 0.00 -1.47 0.00 0.00 33.84 34.22 3a16 n VAL 309 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a16 n ALA 310 N -1.48 1.46 0.10 2.33 0.00 0.11 -0.15 120.51 122.88 3a16 n ALA 310 Ca 0.04 0.85 0.05 0.00 0.00 0.00 0.00 53.44 54.37 3a16 n ALA 310 Cb 0.33 -1.08 0.47 0.00 0.00 0.00 0.00 19.45 19.17 3a16 n ALA 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a16 h ALA 311 N 1.52 1.73 -0.07 0.00 0.00 -1.84 -2.34 119.26 118.25 3a16 h ALA 311 Ca 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.74 3a16 h ALA 311 Cb 3.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.69 3a16 h ALA 311 CO -0.40 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.48 3a16 n GLY 312 N -1.32 -0.44 3.64 0.00 0.00 0.78 -4.85 105.19 103.00 3a16 n GLY 312 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.62 3.32 0.00 0.99 1.43 -0.88 -4.60 118.68 117.31 3a16 s LEU 313 Ca 0.31 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3a16 s LEU 313 Cb 0.16 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3a16 s LEU 313 CO 0.25 0.24 0.00 -1.54 0.23 0.00 0.00 176.35 175.53 3a16 n SER 314 N 1.16 0.00 -0.01 2.29 3.41 -1.26 -4.96 113.62 114.25 3a16 n SER 314 Ca -0.14 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.57 3a16 n SER 314 Cb 0.52 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.40 0.53 -1.82 4.33 4.76 -1.26 -4.95 118.16 118.35 3a16 n LYS 315 Ca 0.00 -0.10 -0.41 0.00 -2.87 0.00 0.00 58.31 54.93 3a16 n LYS 315 Cb 0.00 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.71 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 -3.73 4.34 -0.23 -0.35 2.96 -1.26 -4.57 118.68 115.84 3a16 s LEU 316 Ca -0.01 2.94 -0.02 0.00 -0.22 0.00 0.00 54.13 56.82 3a16 s LEU 316 Cb 0.14 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.20 3a16 s LEU 316 CO 0.84 -0.87 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.80 3a16 s ARG 317 N -0.95 3.08 0.00 1.98 0.52 -0.24 -5.00 118.95 118.35 3a16 s ARG 317 Ca 0.60 -0.81 0.07 0.00 -0.52 0.00 0.00 55.73 55.07 3a16 s ARG 317 Cb -0.47 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 3a16 s ARG 317 CO 0.52 -0.29 -0.23 -0.51 0.02 0.00 0.00 175.30 174.81 3a16 s LEU 318 N 1.39 2.08 0.13 2.53 1.43 -1.26 -1.10 118.68 123.88 3a16 s LEU 318 Ca 0.03 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 52.43 3a16 s LEU 318 Cb -0.15 -1.13 0.07 0.00 0.03 0.00 0.00 46.19 45.00 3a16 s LEU 318 CO -0.05 0.25 0.78 -0.72 0.23 0.00 0.00 176.35 176.84 3a16 s TYR 319 N -0.62 -0.35 0.15 0.29 1.13 -1.12 -0.92 117.35 115.92 3a16 s TYR 319 Ca 0.09 0.10 -0.07 0.00 -1.41 0.00 0.00 57.07 55.78 3a16 s TYR 319 Cb -0.09 0.59 -0.01 0.00 -1.10 0.00 0.00 41.96 41.35 3a16 s TYR 319 CO 0.00 -0.81 0.23 -3.38 -2.51 0.00 0.00 175.55 169.08 3a16 s HIS 320 N -3.49 0.48 -0.02 -3.49 -3.43 -0.24 -0.66 115.29 104.43 3a16 s HIS 320 Ca 0.06 -0.85 0.02 0.00 -0.80 0.00 0.00 55.06 53.49 3a16 s HIS 320 Cb -0.02 -0.15 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 3a16 s HIS 320 CO -0.06 -0.67 -0.08 -1.83 -2.00 0.00 0.00 174.74 170.10 3a16 s GLU 321 N -3.98 0.83 -0.02 -0.38 -1.05 0.03 -1.30 118.70 112.83 3a16 s GLU 321 Ca 0.18 -0.28 0.02 0.00 -0.15 0.00 0.00 54.97 54.74 3a16 s GLU 321 Cb 0.04 -0.79 0.01 0.00 -0.44 0.00 0.00 34.13 32.94 3a16 s GLU 321 CO -0.00 0.12 -0.06 0.08 0.95 0.00 0.00 175.26 176.34 3a16 s VAL 322 N 0.12 0.57 0.04 1.83 1.01 -0.31 -1.04 120.40 122.63 3a16 s VAL 322 Ca -0.02 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3a16 s VAL 322 Cb -0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3a16 s VAL 322 CO 0.00 0.19 -0.10 -0.44 0.00 0.00 0.00 175.10 174.75 3a16 s SER 323 N 0.24 1.15 0.19 3.32 0.01 -0.37 -0.77 113.70 117.47 3a16 s SER 323 Ca -0.03 -0.48 0.09 0.00 1.31 0.00 0.00 55.95 56.84 3a16 s SER 323 Cb -0.07 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 3a16 s SER 323 CO 0.00 -0.10 -0.19 0.68 0.41 0.00 0.00 173.24 174.05 3a16 s VAL 324 N -1.08 1.96 0.02 3.43 -7.23 -0.06 -1.02 120.40 116.42 3a16 s VAL 324 Ca -0.05 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.03 3a16 s VAL 324 Cb -0.08 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 3a16 s VAL 324 CO 0.01 -0.34 0.10 -0.36 -0.31 0.00 0.00 175.10 174.20 3a16 s PHE 325 N -2.19 0.15 0.75 2.82 0.40 -1.15 -4.58 117.98 114.18 3a16 s PHE 325 Ca 0.19 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 56.01 3a16 s PHE 325 Cb -0.05 -0.11 0.05 0.00 0.51 0.00 0.00 43.02 43.42 3a16 s PHE 325 CO 0.08 -0.32 1.22 -0.51 0.70 0.00 0.00 175.22 176.39 3a16 s ASP 326 N -1.77 4.01 0.24 1.36 1.01 -1.26 0.14 116.67 120.40 3a16 s ASP 326 Ca -0.10 2.39 -0.06 0.00 0.71 0.00 0.00 52.55 55.49 3a16 s ASP 326 Cb -0.05 -2.59 0.42 0.00 1.01 0.00 0.00 42.92 41.72 3a16 s ASP 326 CO -0.02 -2.39 1.71 0.00 0.21 0.00 0.00 175.17 174.69 3a16 h ALA 327 N -0.44 0.95 0.00 5.23 0.00 -1.83 -2.24 119.26 120.93 3a16 h ALA 327 Ca -0.47 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3a16 h ALA 327 Cb 1.30 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3a16 h ALA 327 CO 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3a16 h ALA 328 N 1.55 1.00 -0.57 0.00 0.00 -1.92 -2.86 119.26 116.46 3a16 h ALA 328 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3a16 h ALA 328 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3a16 h ALA 328 CO -0.43 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.57 3a16 n ASP 329 N -2.58 5.70 -4.01 0.00 8.00 -0.84 -4.87 116.55 117.94 3a16 n ASP 329 Ca -0.00 -2.92 -0.22 0.00 0.71 0.00 0.00 54.79 52.36 3a16 n ASP 329 Cb 0.17 -0.69 -0.16 0.00 -0.02 0.00 0.00 41.12 40.42 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 -2.74 1.27 -0.04 -1.24 -0.21 -1.08 -0.81 119.66 114.82 3a16 s GLN 330 Ca 0.54 -0.35 -0.01 0.00 0.02 0.00 0.00 55.36 55.56 3a16 s GLN 330 Cb 0.41 -1.13 0.03 0.00 1.00 0.00 0.00 33.01 33.33 3a16 s GLN 330 CO 0.16 0.07 0.06 -1.17 -2.12 0.00 0.00 175.29 172.30 3a16 s LEU 331 N 0.43 0.68 -0.30 2.90 0.20 -0.48 -4.29 118.68 117.81 3a16 s LEU 331 Ca -0.08 0.11 0.01 0.00 0.69 0.00 0.00 54.13 54.86 3a16 s LEU 331 Cb -0.12 -0.00 0.09 0.00 -0.43 0.00 0.00 46.19 45.73 3a16 s LEU 331 CO 0.02 -0.17 0.06 -0.31 -0.29 0.00 0.00 176.35 175.65 3a16 s TYR 332 N 1.48 2.35 -0.06 5.38 2.02 -0.92 -0.88 117.35 126.74 3a16 s TYR 332 Ca -0.04 -2.05 0.05 0.00 -0.37 0.00 0.00 57.07 54.66 3a16 s TYR 332 Cb -0.12 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 3a16 s TYR 332 CO -0.04 -0.87 -0.19 -1.21 -1.57 0.00 0.00 175.55 171.67 3a16 s GLU 333 N 1.40 2.54 -0.01 -0.62 2.02 0.33 -0.31 118.70 124.05 3a16 s GLU 333 Ca 0.07 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.29 3a16 s GLU 333 Cb -0.18 -2.28 -0.00 0.00 0.10 0.00 0.00 34.13 31.76 3a16 s GLU 333 CO -0.17 0.50 -0.10 0.71 0.02 0.00 0.00 175.26 176.22 3a16 s TYR 334 N -0.42 0.93 -0.15 1.61 1.51 0.53 -1.16 117.35 120.19 3a16 s TYR 334 Ca 0.04 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 55.91 3a16 s TYR 334 Cb -0.12 -0.62 0.03 0.00 -0.11 0.00 0.00 41.96 41.15 3a16 s TYR 334 CO 0.02 -0.04 -0.08 0.42 -1.11 0.00 0.00 175.55 174.76 3a16 s ILE 335 N -0.11 1.24 -1.50 2.71 1.01 0.65 -0.57 121.20 124.62 3a16 s ILE 335 Ca 0.02 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 3a16 s ILE 335 Cb -0.05 -1.31 0.05 0.00 0.01 0.00 0.00 42.46 41.16 3a16 s ILE 335 CO -0.00 0.26 0.56 0.59 0.00 0.00 0.00 174.94 176.35 3a16 n ASN 336 N 4.85 -1.49 -4.91 3.58 3.02 -0.16 -0.81 115.26 119.34 3a16 n ASN 336 Ca -0.13 -0.99 -0.31 0.00 -0.03 0.00 0.00 54.58 53.11 3a16 n ASN 336 Cb 0.49 -3.03 -0.04 0.00 -0.61 0.00 0.00 39.78 36.59 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 -1.49 2.38 -1.62 0.00 -3.43 -1.26 -4.82 115.29 105.05 3a16 s HIS 338 Ca 0.34 1.51 0.12 0.00 -0.80 0.00 0.00 55.06 56.23 3a16 s HIS 338 Cb -0.13 -3.50 0.65 0.00 -1.43 0.00 0.00 32.58 28.17 3a16 s HIS 338 CO 0.27 -2.25 1.25 -2.30 -2.00 0.00 0.00 174.74 169.71 3a16 n PRO 339 N -1.56 0.25 -0.10 -0.38 -0.02 -1.26 -1.51 135.00 130.41 3a16 n PRO 339 Ca 0.14 0.11 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 3a16 n PRO 339 Cb 0.49 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.75 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 -0.25 0.98 3.69 -1.23 0.00 -1.26 -3.12 105.19 103.99 3a16 n GLY 340 Ca 0.07 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 4.10 0.00 2.61 2.01 -0.57 -4.46 115.64 117.62 3a16 s THR 341 Ca 0.35 1.45 0.00 0.00 0.31 0.00 0.00 61.69 63.80 3a16 s THR 341 Cb 0.20 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.78 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 3.42 2.83 0.02 4.40 0.00 -1.26 -1.03 105.19 113.58 3a16 n GLY 342 Ca 0.11 0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.41 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 0.81 -0.01 1.61 2.81 -1.26 -3.41 117.12 131.67 3a16 n MET 343 Ca 0.00 -0.04 -0.01 0.00 -1.81 0.00 0.00 57.70 55.84 3a16 n MET 343 Cb 0.00 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.29 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 0.10 0.51 -0.08 4.03 3.38 -1.36 -3.03 115.31 118.86 3a16 h LEU 344 Ca 0.00 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3a16 h LEU 344 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3a16 h LEU 344 CO 0.00 0.60 -0.01 -0.09 0.09 0.00 0.00 178.44 179.03 3a16 h ARG 345 N 0.51 0.02 -0.01 1.13 2.43 -1.56 -3.23 114.38 113.66 3a16 h ARG 345 Ca 0.11 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3a16 h ARG 345 Cb 0.37 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3a16 h ARG 345 CO 0.01 0.01 -0.28 -0.25 -1.51 0.00 0.00 179.97 177.95 3a16 n ASP 346 N -5.12 1.87 -4.78 -3.80 8.00 -1.25 -4.99 116.55 106.48 3a16 n ASP 346 Ca -0.05 -1.43 -0.41 0.00 0.71 0.00 0.00 54.79 53.60 3a16 n ASP 346 Cb 0.06 0.37 -0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 -1.90 3.58 0.08 2.24 0.00 -1.14 -4.89 121.76 119.72 3a16 s ALA 347 Ca 0.16 1.58 -0.27 0.00 0.00 0.00 0.00 51.96 53.43 3a16 s ALA 347 Cb 0.14 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 3a16 s ALA 347 CO 0.39 -1.07 0.85 0.14 0.00 0.00 0.00 175.76 176.08 3a16 s VAL 348 N -1.07 4.61 0.83 0.00 -7.23 0.12 -4.78 120.40 112.88 3a16 s VAL 348 Ca 0.53 1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 62.40 3a16 s VAL 348 Cb -0.47 -4.21 0.09 0.00 0.56 0.00 0.00 36.38 32.36 3a16 s VAL 348 CO 0.63 0.35 1.18 0.42 -0.31 0.00 0.00 175.10 177.37 3a16 s THR 349 N -0.10 2.00 0.41 5.32 -4.23 -1.26 -0.40 115.64 117.38 3a16 s THR 349 Ca 0.42 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.07 3a16 s THR 349 Cb -0.22 -2.95 0.35 0.00 1.34 0.00 0.00 72.50 71.02 3a16 s THR 349 CO 0.26 0.00 1.90 -0.29 -0.54 0.00 0.00 174.62 175.95 3a16 h ILE 350 N -1.15 0.78 -0.00 2.99 6.09 -1.92 -2.40 117.51 121.90 3a16 h ILE 350 Ca -0.47 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 3a16 h ILE 350 Cb 1.33 0.26 0.00 0.00 0.47 0.00 0.00 36.82 38.88 3a16 h ILE 350 CO 0.65 0.09 -0.89 0.00 -3.07 0.00 0.00 178.15 174.92 3a16 n ALA 351 N -2.50 4.47 0.36 0.18 0.00 -1.26 -4.42 120.51 117.34 3a16 n ALA 351 Ca 0.16 -0.54 0.14 0.00 0.00 0.00 0.00 53.44 53.20 3a16 n ALA 351 Cb 0.55 -0.69 0.56 0.00 0.00 0.00 0.00 19.45 19.87 3a16 n ALA 351 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3a16 h GLU 352 N 0.01 0.00 0.00 0.00 5.08 -1.80 -3.55 114.58 114.32 3a16 h GLU 352 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a16 h GLU 352 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3a16 h GLU 352 CO 0.00 0.00 0.00 -2.39 -1.00 0.00 0.00 179.01 175.62