#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 2.72 0.01 0.03 2.02 -1.24 -4.82 118.70 117.41 3a16 s GLU 2 Ca 0.00 1.78 -0.02 0.00 0.02 0.00 0.00 54.97 56.75 3a16 s GLU 2 Cb 0.00 -1.90 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 3a16 s GLU 2 CO 0.00 -1.39 0.19 0.45 0.02 0.00 0.00 175.26 174.52 3a16 s SER 3 N -1.80 6.35 0.55 -0.19 0.15 -1.26 -1.63 113.70 115.86 3a16 s SER 3 Ca 0.76 0.32 0.24 0.00 0.70 0.00 0.00 55.95 57.97 3a16 s SER 3 Cb -0.29 -1.98 1.53 0.00 -1.71 0.00 0.00 66.02 63.57 3a16 s SER 3 CO 0.37 0.24 2.18 0.00 1.20 0.00 0.00 173.24 177.23 3a16 h ALA 4 N 3.65 1.67 -2.43 5.45 0.00 -1.93 -3.42 119.26 122.24 3a16 h ALA 4 Ca -0.48 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 3a16 h ALA 4 Cb 1.18 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 3a16 h ALA 4 CO 0.70 0.04 0.33 0.42 0.00 0.00 0.00 179.25 180.74 3a16 s ILE 5 N -4.73 4.91 0.46 0.00 1.01 -1.26 -4.98 121.20 116.61 3a16 s ILE 5 Ca -0.05 1.56 -0.23 0.00 0.00 0.00 0.00 60.65 61.93 3a16 s ILE 5 Cb 0.16 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.43 3a16 s ILE 5 CO 0.60 0.06 1.09 0.61 0.00 0.00 0.00 174.94 177.30 3a16 n GLY 6 N 3.47 0.03 0.26 6.18 0.00 -1.26 -4.76 105.19 109.12 3a16 n GLY 6 Ca 0.03 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3a16 n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a16 h GLU 7 N 1.51 0.28 0.00 1.61 4.81 -1.93 -0.05 114.58 120.81 3a16 h GLU 7 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3a16 h GLU 7 Cb 1.33 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3a16 h GLU 7 CO 0.57 0.19 0.00 1.12 -0.73 0.00 0.00 179.01 180.15 3a16 h HIS 8 N 0.29 0.00 -0.01 0.92 2.07 -1.92 -2.56 115.15 113.93 3a16 h HIS 8 Ca 0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.92 3a16 h HIS 8 Cb 0.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 3a16 h HIS 8 CO -0.25 0.00 -0.51 1.28 -3.07 0.00 0.00 177.93 175.39 3a16 n LEU 9 N -2.89 1.46 -4.76 6.12 4.77 -0.10 -4.91 117.00 116.69 3a16 n LEU 9 Ca 0.01 -0.52 -0.39 0.00 -0.03 0.00 0.00 56.01 55.08 3a16 n LEU 9 Cb 0.32 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3a16 n LEU 9 CO 0.27 0.29 0.80 -1.10 -1.33 0.00 0.00 177.39 176.31 3a16 s GLN 10 N -2.61 4.49 0.20 3.23 -0.21 -0.81 -4.92 119.66 119.02 3a16 s GLN 10 Ca 0.18 1.78 -0.16 0.00 0.02 0.00 0.00 55.36 57.18 3a16 s GLN 10 Cb 0.18 -3.03 0.02 0.00 1.00 0.00 0.00 33.01 31.18 3a16 s GLN 10 CO 0.62 0.08 0.49 0.00 -2.12 0.00 0.00 175.29 174.36 3a16 n PRO 12 N -0.33 2.14 -2.84 0.00 -0.02 -1.26 -4.92 135.00 127.77 3a16 n PRO 12 Ca -0.09 0.78 -0.36 0.00 -2.02 0.00 0.00 63.50 61.81 3a16 n PRO 12 Cb 0.62 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 3a16 n PRO 12 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3a16 s ARG 13 N 1.79 4.49 -0.03 -0.52 0.52 -1.26 -4.91 118.95 119.02 3a16 s ARG 13 Ca 0.83 1.23 0.04 0.00 -0.52 0.00 0.00 55.73 57.30 3a16 s ARG 13 Cb -0.69 -2.73 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 3a16 s ARG 13 CO 0.42 0.26 0.03 2.41 0.02 0.00 0.00 175.30 178.44 3a16 n THR 14 N 0.43 0.20 -4.36 0.02 -1.04 -0.29 -5.03 114.28 104.21 3a16 n THR 14 Ca 0.02 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.05 61.56 3a16 n THR 14 Cb 0.51 -0.60 -0.09 0.00 -1.82 0.00 0.00 70.33 68.32 3a16 n THR 14 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3a16 s LEU 15 N -4.05 3.39 0.35 -4.42 1.43 -0.52 -5.00 118.68 109.86 3a16 s LEU 15 Ca -0.02 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.13 3a16 s LEU 15 Cb 0.01 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 3a16 s LEU 15 CO 0.16 0.29 0.03 0.42 0.23 0.00 0.00 176.35 177.48 3a16 s THR 16 N -1.03 2.61 0.96 5.49 -4.23 -1.26 -4.63 115.64 113.55 3a16 s THR 16 Ca 0.18 -1.94 -0.14 0.00 -1.18 0.00 0.00 61.69 58.61 3a16 s THR 16 Cb -0.11 -2.83 0.17 0.00 1.34 0.00 0.00 72.50 71.07 3a16 s THR 16 CO 0.08 -0.18 1.17 -0.13 -0.54 0.00 0.00 174.62 175.02 3a16 s ARG 17 N -3.74 0.72 0.00 3.99 0.52 -1.26 -5.00 118.95 114.19 3a16 s ARG 17 Ca 0.35 0.10 0.16 0.00 -0.52 0.00 0.00 55.73 55.82 3a16 s ARG 17 Cb 0.00 -1.81 0.15 0.00 0.52 0.00 0.00 34.95 33.82 3a16 s ARG 17 CO 0.20 -2.44 1.03 2.89 0.02 0.00 0.00 175.30 177.00 3a16 n ARG 18 N -3.90 1.34 -4.57 3.54 1.85 -1.26 -4.91 116.66 108.75 3a16 n ARG 18 Ca 0.09 -1.52 -0.30 0.00 -1.00 0.00 0.00 57.85 55.12 3a16 n ARG 18 Cb 0.59 -1.31 -0.12 0.00 -1.05 0.00 0.00 32.46 30.57 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 2.75 0.71 8.89 -7.23 -1.26 -5.14 120.40 117.82 3a16 s VAL 19 Ca 0.20 -1.30 -0.14 0.00 -1.81 0.00 0.00 61.98 58.93 3a16 s VAL 19 Cb 0.14 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 34.92 3a16 s VAL 19 CO 0.20 0.27 1.13 -2.16 -0.31 0.00 0.00 175.10 174.23 3a16 s PRO 20 N -1.63 2.46 0.00 4.82 0.04 -1.26 -4.93 135.00 134.51 3a16 s PRO 20 Ca 0.15 1.42 0.14 0.00 0.04 0.00 0.00 61.00 62.76 3a16 s PRO 20 Cb -0.10 -1.91 0.86 0.00 0.04 0.00 0.00 34.50 33.39 3a16 s PRO 20 CO 0.06 -1.52 1.30 -0.25 0.04 0.00 0.00 177.00 176.64 3a16 n ASP 21 N -2.81 0.00 0.02 6.66 8.00 -1.26 -1.57 116.55 125.60 3a16 n ASP 21 Ca 0.11 -0.73 0.14 0.00 0.71 0.00 0.00 54.79 55.01 3a16 n ASP 21 Cb 0.52 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 42.19 3a16 n ASP 21 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3a16 n THR 22 N -0.88 0.09 -1.67 -3.53 -2.24 -1.26 -4.94 114.28 99.85 3a16 n THR 22 Ca 0.11 -0.04 -0.45 0.00 -2.27 0.00 0.00 64.05 61.39 3a16 n THR 22 Cb 0.05 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 3a16 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a16 n TYR 23 N -1.62 2.12 -3.95 4.78 9.36 -0.61 -5.01 117.16 122.24 3a16 n TYR 23 Ca 0.07 0.44 -0.26 0.00 3.32 0.00 0.00 57.90 61.47 3a16 n TYR 23 Cb 0.35 -2.45 -0.17 0.00 -0.63 0.00 0.00 39.34 36.44 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 -0.04 0.88 0.62 2.97 2.01 -1.26 -5.04 115.64 115.78 3a16 s THR 24 Ca 0.69 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 62.29 3a16 s THR 24 Cb -0.66 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 3a16 s THR 24 CO 0.49 0.34 1.29 -2.16 -0.69 0.00 0.00 174.62 173.90 3a16 s PRO 25 N 1.64 2.73 0.18 4.92 0.04 -1.26 -4.94 135.00 138.30 3a16 s PRO 25 Ca 0.03 2.06 0.26 0.00 0.04 0.00 0.00 61.00 63.39 3a16 s PRO 25 Cb -0.13 -1.94 0.89 0.00 0.04 0.00 0.00 34.50 33.37 3a16 s PRO 25 CO -0.06 -1.46 1.79 -0.35 0.04 0.00 0.00 177.00 176.96 3a16 n PRO 26 N -1.69 0.21 -3.67 0.56 -0.04 -1.26 -4.87 135.00 124.24 3a16 n PRO 26 Ca 0.14 0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 3a16 n PRO 26 Cb 0.48 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 3a16 n PRO 26 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a16 s PHE 27 N -3.10 -0.14 0.18 0.54 -0.12 -1.26 -5.08 117.98 108.99 3a16 s PHE 27 Ca 0.11 -0.19 -0.30 0.00 -0.05 0.00 0.00 56.93 56.50 3a16 s PHE 27 Cb 0.13 0.20 -0.07 0.00 -0.63 0.00 0.00 43.02 42.65 3a16 s PHE 27 CO 0.56 -0.67 1.00 -1.25 -0.05 0.00 0.00 175.22 174.81 3a16 s PRO 28 N -3.77 4.71 0.05 1.99 0.04 -1.26 -5.02 135.00 131.74 3a16 s PRO 28 Ca 0.03 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 3a16 s PRO 28 Cb 0.02 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 3a16 s PRO 28 CO -0.12 0.26 -0.03 -1.64 0.04 0.00 0.00 177.00 175.51 3a16 s MET 29 N -0.52 0.58 0.20 4.56 -1.94 -1.26 -4.88 119.30 116.03 3a16 s MET 29 Ca 0.46 -1.12 0.07 0.00 -1.71 0.00 0.00 55.69 53.39 3a16 s MET 29 Cb -0.26 0.15 -0.05 0.00 2.01 0.00 0.00 34.83 36.68 3a16 s MET 29 CO 0.32 -0.09 -0.12 -1.58 -0.01 0.00 0.00 175.02 173.55 3a16 s TRP 30 N -3.42 1.62 0.20 -0.03 0.51 -0.13 -1.75 118.94 115.94 3a16 s TRP 30 Ca 0.03 -0.65 0.06 0.00 -2.12 0.00 0.00 56.10 53.42 3a16 s TRP 30 Cb 0.04 -0.79 -0.05 0.00 -0.81 0.00 0.00 33.47 31.86 3a16 s TRP 30 CO -0.08 0.26 -0.09 0.14 -0.51 0.00 0.00 176.95 176.67 3a16 s VAL 31 N -3.09 1.37 0.39 4.03 -7.23 -1.26 -0.22 120.40 114.39 3a16 s VAL 31 Ca 0.22 -2.11 -0.26 0.00 -1.81 0.00 0.00 61.98 58.02 3a16 s VAL 31 Cb 0.01 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 3a16 s VAL 31 CO 0.06 -0.56 1.20 -0.83 -0.31 0.00 0.00 175.10 174.66 3a16 s GLY 32 N -3.27 2.91 0.01 2.32 0.00 -1.26 -1.14 107.32 106.88 3a16 s GLY 32 Ca 0.22 1.04 0.07 0.00 0.00 0.00 0.00 44.72 46.05 3a16 s GLY 32 CO 0.05 1.59 -0.21 0.50 0.00 0.00 0.00 173.10 175.03 3a16 s ARG 33 N -2.18 2.10 -0.08 2.90 1.81 0.11 -4.81 118.95 118.81 3a16 s ARG 33 Ca 0.55 -0.94 -0.20 0.00 -1.72 0.00 0.00 55.73 53.42 3a16 s ARG 33 Cb -0.33 -2.14 0.04 0.00 -0.45 0.00 0.00 34.95 32.07 3a16 s ARG 33 CO 0.42 0.55 0.48 0.00 -0.68 0.00 0.00 175.30 176.07 3a16 s ALA 34 N -0.79 -1.21 0.93 2.13 0.00 -1.26 -0.19 121.76 121.37 3a16 s ALA 34 Ca 0.12 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3a16 s ALA 34 Cb -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3a16 s ALA 34 CO 0.02 -0.28 0.00 -0.40 0.00 0.00 0.00 175.76 175.10 3a16 n ASP 35 N 1.68 0.00 0.00 0.00 5.68 -1.26 -4.93 116.55 117.71 3a16 n ASP 35 Ca -0.18 -0.96 0.11 0.00 -0.50 0.00 0.00 54.79 53.26 3a16 n ASP 35 Cb 0.56 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.17 3a16 n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3a16 n ASP 36 N -2.87 0.00 0.12 -1.12 5.75 -1.26 -2.65 116.55 114.51 3a16 n ASP 36 Ca 0.00 -0.62 -0.03 0.00 -0.01 0.00 0.00 54.79 54.13 3a16 n ASP 36 Cb 0.00 -0.02 0.13 0.00 -1.03 0.00 0.00 41.12 40.20 3a16 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a16 h ALA 37 N 3.31 0.88 -1.81 2.12 0.00 -2.01 -3.38 119.26 118.36 3a16 h ALA 37 Ca 0.00 -0.60 -0.67 0.00 0.00 0.00 0.00 54.91 53.64 3a16 h ALA 37 Cb 0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 17.54 3a16 h ALA 37 CO 0.00 0.81 0.80 -1.17 0.00 0.00 0.00 179.25 179.69 3a16 s LEU 38 N -7.59 4.82 -0.20 0.00 2.96 -1.09 -4.82 118.68 112.76 3a16 s LEU 38 Ca -0.02 -1.77 -0.03 0.00 -0.22 0.00 0.00 54.13 52.09 3a16 s LEU 38 Cb 0.12 -2.41 -0.21 0.00 0.50 0.00 0.00 46.19 44.19 3a16 s LEU 38 CO 0.78 -1.17 0.02 0.00 -1.32 0.00 0.00 176.35 174.65 3a16 n GLN 39 N 6.94 0.69 -3.66 1.98 6.02 -1.26 -4.61 117.38 123.49 3a16 n GLN 39 Ca 0.18 0.21 -0.05 0.00 -0.01 0.00 0.00 57.00 57.33 3a16 n GLN 39 Cb 0.48 -1.60 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 3a16 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3a16 s GLN 40 N -2.53 0.49 0.43 -1.09 0.74 -1.26 -0.45 119.66 115.99 3a16 s GLN 40 Ca -0.30 1.21 0.03 0.00 0.05 0.00 0.00 55.36 56.35 3a16 s GLN 40 Cb 0.08 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.68 3a16 s GLN 40 CO 0.66 -0.20 0.62 0.14 -0.55 0.00 0.00 175.29 175.96 3a16 s VAL 41 N 2.45 3.69 -0.10 1.34 -7.23 -0.64 -3.67 120.40 116.24 3a16 s VAL 41 Ca -0.06 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.41 3a16 s VAL 41 Cb -0.11 -3.33 0.01 0.00 0.56 0.00 0.00 36.38 33.52 3a16 s VAL 41 CO -0.16 -0.19 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.60 3a16 s VAL 42 N -2.46 1.43 -0.31 1.32 1.01 -0.72 -3.13 120.40 117.54 3a16 s VAL 42 Ca 0.50 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 3a16 s VAL 42 Cb -0.10 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.99 3a16 s VAL 42 CO 0.35 0.43 0.08 -0.04 0.00 0.00 0.00 175.10 175.92 3a16 s MET 43 N 0.97 2.93 -0.31 2.72 -1.94 0.47 -0.73 119.30 123.43 3a16 s MET 43 Ca -0.07 -0.96 0.01 0.00 -1.71 0.00 0.00 55.69 52.96 3a16 s MET 43 Cb -0.15 -3.38 0.07 0.00 2.01 0.00 0.00 34.83 33.38 3a16 s MET 43 CO -0.01 -0.51 -0.01 0.20 -0.01 0.00 0.00 175.02 174.68 3a16 s GLY 44 N 1.46 1.78 -0.40 -0.03 0.00 -0.26 -1.06 107.32 108.81 3a16 s GLY 44 Ca 0.01 -2.01 -0.19 0.00 0.00 0.00 0.00 44.72 42.53 3a16 s GLY 44 CO 0.02 0.75 0.55 -0.19 0.00 0.00 0.00 173.10 174.24 3a16 s TYR 45 N 1.11 3.13 -0.26 1.90 1.51 -0.31 -1.05 117.35 123.38 3a16 s TYR 45 Ca -0.02 -0.05 -0.05 0.00 -1.01 0.00 0.00 57.07 55.94 3a16 s TYR 45 Cb -0.20 -3.10 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 3a16 s TYR 45 CO -0.04 -0.72 0.02 -0.51 -1.11 0.00 0.00 175.55 173.18 3a16 s LEU 46 N 2.52 3.40 0.18 -1.29 1.02 0.56 -0.59 118.68 124.47 3a16 s LEU 46 Ca 0.19 -0.59 0.10 0.00 0.02 0.00 0.00 54.13 53.85 3a16 s LEU 46 Cb -0.15 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.21 3a16 s LEU 46 CO 0.16 -0.11 -0.18 -0.83 0.02 0.00 0.00 176.35 175.41 3a16 s GLY 47 N 1.47 1.71 -0.07 -3.19 0.00 0.36 -0.57 107.32 107.04 3a16 s GLY 47 Ca 0.03 -1.53 0.02 0.00 0.00 0.00 0.00 44.72 43.24 3a16 s GLY 47 CO -0.00 -1.55 -0.12 0.14 0.00 0.00 0.00 173.10 171.57 3a16 s VAL 48 N -1.59 1.12 -0.03 1.40 1.01 0.62 -1.59 120.40 121.34 3a16 s VAL 48 Ca 0.22 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.81 3a16 s VAL 48 Cb -0.09 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 3a16 s VAL 48 CO 0.12 0.35 -0.24 -1.58 0.00 0.00 0.00 175.10 173.75 3a16 s GLN 49 N 0.75 2.06 0.18 2.72 0.74 0.62 -0.82 119.66 125.91 3a16 s GLN 49 Ca -0.13 -0.85 -0.19 0.00 0.05 0.00 0.00 55.36 54.24 3a16 s GLN 49 Cb -0.16 -1.91 0.04 0.00 1.10 0.00 0.00 33.01 32.08 3a16 s GLN 49 CO 0.03 0.47 0.54 -0.59 -0.55 0.00 0.00 175.29 175.19 3a16 s PHE 50 N -0.43 -0.26 0.00 1.67 -0.71 -0.39 -0.54 117.98 117.32 3a16 s PHE 50 Ca 0.06 -0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 3a16 s PHE 50 Cb -0.10 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 42.15 3a16 s PHE 50 CO 0.00 -0.89 0.00 -2.13 -1.34 0.00 0.00 175.22 170.86 3a16 n ARG 51 N -0.34 2.71 -3.34 1.99 0.00 -1.26 -0.13 116.66 116.28 3a16 n ARG 51 Ca -0.13 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.34 3a16 n ARG 51 Cb 0.63 -0.84 -0.06 0.00 0.00 0.00 0.00 32.46 32.19 3a16 n ARG 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3a16 s ASP 52 N -2.33 6.92 0.41 6.15 1.01 -1.26 -4.87 116.67 122.70 3a16 s ASP 52 Ca 0.00 1.10 0.14 0.00 0.71 0.00 0.00 52.55 54.50 3a16 s ASP 52 Cb 0.00 -2.32 1.00 0.00 1.01 0.00 0.00 42.92 42.61 3a16 s ASP 52 CO 0.00 0.23 1.91 -0.08 0.21 0.00 0.00 175.17 177.43 3a16 h GLU 53 N 5.04 0.47 0.00 8.23 4.57 -2.02 -0.31 114.58 130.56 3a16 h GLU 53 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3a16 h GLU 53 Cb 1.21 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 3a16 h GLU 53 CO 0.65 0.31 0.00 -0.40 -1.18 0.00 0.00 179.01 178.39 3a16 n ASP 54 N -4.50 0.00 0.08 1.04 5.75 -1.26 -1.78 116.55 115.88 3a16 n ASP 54 Ca 0.15 0.43 0.12 0.00 -0.01 0.00 0.00 54.79 55.49 3a16 n ASP 54 Cb 0.52 -0.47 0.18 0.00 -1.03 0.00 0.00 41.12 40.32 3a16 n ASP 54 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3a16 h GLN 55 N 0.00 0.00 -0.41 0.11 4.20 -1.45 -3.40 115.11 114.16 3a16 h GLN 55 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3a16 h GLN 55 Cb 0.27 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 3a16 h GLN 55 CO 0.00 0.00 0.10 -0.09 -0.67 0.00 0.00 178.83 178.17 3a16 h ARG 56 N 0.00 0.23 -0.47 1.46 2.43 -1.44 -0.42 114.38 116.18 3a16 h ARG 56 Ca 0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3a16 h ARG 56 Cb 0.79 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 3a16 h ARG 56 CO 0.00 0.15 0.21 -1.35 -1.51 0.00 0.00 179.97 177.48 3a16 h PRO 57 N 0.24 0.41 -0.63 0.20 0.11 -1.80 0.86 132.00 131.39 3a16 h PRO 57 Ca 0.19 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 3a16 h PRO 57 Cb 0.22 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 3a16 h PRO 57 CO -0.24 0.27 0.24 0.00 -0.21 0.00 0.00 178.00 178.06 3a16 h ALA 58 N 1.27 1.22 -0.26 -0.75 0.00 -1.75 -1.09 119.26 117.91 3a16 h ALA 58 Ca 0.21 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3a16 h ALA 58 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3a16 h ALA 58 CO -0.17 0.56 -0.18 0.00 0.00 0.00 0.00 179.25 179.46 3a16 h ALA 59 N 1.34 0.37 -0.62 0.00 0.00 -0.58 -1.25 119.26 118.51 3a16 h ALA 59 Ca 0.21 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3a16 h ALA 59 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3a16 h ALA 59 CO -0.02 0.29 0.20 -0.07 0.00 0.00 0.00 179.25 179.65 3a16 h LEU 60 N 0.30 0.88 -0.58 0.00 3.38 -0.67 -1.23 115.31 117.39 3a16 h LEU 60 Ca 0.05 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3a16 h LEU 60 Cb 0.72 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3a16 h LEU 60 CO 0.05 0.82 0.08 -0.61 0.09 0.00 0.00 178.44 178.87 3a16 h GLN 61 N 0.92 0.97 -0.25 1.13 5.75 -1.10 -1.15 115.11 121.37 3a16 h GLN 61 Ca 0.21 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 3a16 h GLN 61 Cb 0.26 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 3a16 h GLN 61 CO -0.01 0.93 0.11 0.00 -2.65 0.00 0.00 178.83 177.21 3a16 h ALA 62 N 1.00 0.30 -0.77 3.38 0.00 -0.94 0.35 119.26 122.58 3a16 h ALA 62 Ca 0.17 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.17 3a16 h ALA 62 Cb 0.44 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3a16 h ALA 62 CO 0.01 -0.29 0.45 1.98 0.00 0.00 0.00 179.25 181.40 3a16 h MET 63 N 0.24 0.77 -0.51 0.00 1.85 -1.05 -0.96 114.93 115.27 3a16 h MET 63 Ca 0.11 -0.05 -0.10 0.00 -0.61 0.00 0.00 59.70 59.05 3a16 h MET 63 Cb 0.05 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 31.88 3a16 h MET 63 CO -0.09 0.51 -0.07 0.00 -0.40 0.00 0.00 176.91 176.87 3a16 h ARG 64 N 0.80 0.92 -0.79 0.39 3.08 -0.77 -1.43 114.38 116.58 3a16 h ARG 64 Ca 0.35 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3a16 h ARG 64 Cb 0.24 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3a16 h ARG 64 CO -0.20 0.95 0.48 -0.44 -1.07 0.00 0.00 179.97 179.69 3a16 h ASP 65 N 0.83 0.95 -0.31 7.04 3.32 -0.43 -0.61 116.42 127.21 3a16 h ASP 65 Ca 0.14 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3a16 h ASP 65 Cb 0.59 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3a16 h ASP 65 CO 0.04 0.73 0.06 0.40 -1.72 0.00 0.00 179.24 178.74 3a16 h ILE 66 N 1.08 1.23 -0.53 0.35 2.04 -0.95 -2.46 117.51 118.28 3a16 h ILE 66 Ca 0.29 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3a16 h ILE 66 Cb -0.05 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3a16 h ILE 66 CO -0.05 0.26 0.15 0.58 0.00 0.00 0.00 178.15 179.08 3a16 h VAL 67 N 0.34 1.22 -0.43 1.67 2.07 -1.09 -2.31 116.25 117.73 3a16 h VAL 67 Ca 0.10 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 3a16 h VAL 67 Cb 0.33 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3a16 h VAL 67 CO 0.00 0.28 0.11 0.00 0.02 0.00 0.00 177.57 177.99 3a16 h ALA 68 N 1.39 1.40 0.00 1.67 0.00 -0.99 -1.92 119.26 120.82 3a16 h ALA 68 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3a16 h ALA 68 Cb 0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3a16 h ALA 68 CO -0.01 0.43 -0.08 0.78 0.00 0.00 0.00 179.25 180.38 3a16 h GLY 69 N 0.83 0.00 2.00 0.00 0.00 -0.94 -2.82 103.07 102.14 3a16 h GLY 69 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3a16 h GLY 69 CO -0.01 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.27 3a16 h PHE 70 N 0.00 0.00 0.00 5.60 -1.00 -1.09 -2.85 116.94 117.60 3a16 h PHE 70 Ca -0.00 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.66 3a16 h PHE 70 Cb 0.56 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 3a16 h PHE 70 CO 0.00 0.00 -0.70 -0.44 -1.61 0.00 0.00 178.31 175.56 3a16 h ASP 71 N 0.00 0.00 -4.27 2.17 3.32 -1.55 -3.34 116.42 112.74 3a16 h ASP 71 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3a16 h ASP 71 Cb 0.49 0.00 0.19 0.00 0.22 0.00 0.00 39.33 40.23 3a16 h ASP 71 CO 0.00 0.50 0.24 -0.76 -1.72 0.00 0.00 179.24 177.51 3a16 s LEU 72 N -6.30 2.89 0.17 1.55 1.43 -1.08 -4.79 118.68 112.56 3a16 s LEU 72 Ca 0.02 2.17 -0.32 0.00 -1.03 0.00 0.00 54.13 54.97 3a16 s LEU 72 Cb 0.08 -4.56 -0.16 0.00 0.03 0.00 0.00 46.19 41.57 3a16 s LEU 72 CO 0.76 -2.96 0.95 -2.65 0.23 0.00 0.00 176.35 172.68 3a16 n PRO 73 N -4.08 0.69 -1.29 1.29 -0.02 -1.26 -1.01 135.00 129.31 3a16 n PRO 73 Ca 0.12 0.24 -0.10 0.00 -2.02 0.00 0.00 63.50 61.74 3a16 n PRO 73 Cb 0.52 -1.59 -0.04 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.81 -4.78 -4.49 2.55 8.00 -1.26 -4.69 116.55 113.70 3a16 n ASP 74 Ca 0.16 0.25 -0.28 0.00 0.71 0.00 0.00 54.79 55.63 3a16 n ASP 74 Cb 0.23 -3.16 0.25 0.00 -0.02 0.00 0.00 41.12 38.42 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 -2.61 1.54 0.59 0.44 0.00 -0.18 -4.47 107.32 102.63 3a16 s GLY 75 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 44.72 44.37 3a16 s GLY 75 CO 0.00 0.56 1.09 2.56 0.00 0.00 0.00 173.10 177.31 3a16 s PRO 76 N -4.48 3.21 0.37 2.90 0.04 -1.25 -4.93 135.00 130.87 3a16 s PRO 76 Ca 0.68 1.39 0.17 0.00 0.04 0.00 0.00 61.00 63.29 3a16 s PRO 76 Cb -0.25 -2.01 0.72 0.00 0.04 0.00 0.00 34.50 33.00 3a16 s PRO 76 CO 0.65 -0.92 1.77 0.00 0.04 0.00 0.00 177.00 178.53 3a16 h ALA 77 N 0.64 1.09 -2.56 8.56 0.00 -1.14 -3.45 119.26 122.39 3a16 h ALA 77 Ca -0.48 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 3a16 h ALA 77 Cb 1.24 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.80 3a16 h ALA 77 CO 0.56 0.48 -0.32 -1.58 0.00 0.00 0.00 179.25 178.39 3a16 s HIS 78 N -3.77 -0.02 0.12 0.00 5.65 -1.17 -4.99 115.29 111.11 3a16 s HIS 78 Ca -0.01 -0.16 -0.23 0.00 0.25 0.00 0.00 55.06 54.91 3a16 s HIS 78 Cb 0.12 0.03 0.06 0.00 -1.18 0.00 0.00 32.58 31.62 3a16 s HIS 78 CO 0.69 -0.47 0.58 -3.38 -0.65 0.00 0.00 174.74 171.52 3a16 s HIS 79 N -2.58 -0.51 0.17 3.88 -0.00 -1.26 -1.03 115.29 113.96 3a16 s HIS 79 Ca -0.05 0.40 -0.09 0.00 -0.00 0.00 0.00 55.06 55.32 3a16 s HIS 79 Cb -0.01 0.49 -0.01 0.00 -0.00 0.00 0.00 32.58 33.05 3a16 s HIS 79 CO -0.04 -0.79 0.29 0.16 -0.00 0.00 0.00 174.74 174.37 3a16 s ASP 80 N -2.49 0.03 -0.06 7.38 1.47 -0.87 -5.00 116.67 117.14 3a16 s ASP 80 Ca -0.01 -0.90 0.06 0.00 1.18 0.00 0.00 52.55 52.88 3a16 s ASP 80 Cb -0.01 0.45 -0.01 0.00 -0.34 0.00 0.00 42.92 43.01 3a16 s ASP 80 CO -0.09 -0.91 -0.25 -0.76 0.68 0.00 0.00 175.17 173.84 3a16 s LEU 81 N -2.98 2.09 0.14 2.11 1.43 -1.26 -1.46 118.68 118.74 3a16 s LEU 81 Ca 0.19 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3a16 s LEU 81 Cb 0.03 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3a16 s LEU 81 CO 0.01 0.24 -0.05 0.42 0.23 0.00 0.00 176.35 177.20 3a16 s THR 82 N -0.15 0.85 -0.00 5.49 -4.23 -0.04 -0.81 115.64 116.75 3a16 s THR 82 Ca -0.04 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.52 3a16 s THR 82 Cb -0.14 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 3a16 s THR 82 CO 0.04 -0.70 -0.13 -2.28 -0.54 0.00 0.00 174.62 171.01 3a16 s HIS 83 N -3.53 1.20 0.07 3.99 5.04 -0.02 -1.09 115.29 120.95 3a16 s HIS 83 Ca 0.17 -0.25 -0.19 0.00 -1.54 0.00 0.00 55.06 53.26 3a16 s HIS 83 Cb 0.05 -0.76 0.04 0.00 0.04 0.00 0.00 32.58 31.95 3a16 s HIS 83 CO -0.00 -0.01 0.45 -3.38 -2.34 0.00 0.00 174.74 169.46 3a16 s HIS 84 N -0.40 -0.32 -0.20 3.88 -3.43 -0.62 -1.13 115.29 113.06 3a16 s HIS 84 Ca 0.05 0.22 -0.07 0.00 -0.80 0.00 0.00 55.06 54.45 3a16 s HIS 84 Cb -0.06 0.29 -0.04 0.00 -1.43 0.00 0.00 32.58 31.35 3a16 s HIS 84 CO -0.00 -0.65 0.07 0.42 -2.00 0.00 0.00 174.74 172.58 3a16 s ILE 85 N -2.90 4.64 0.82 -5.38 1.01 -1.26 -0.43 121.20 117.69 3a16 s ILE 85 Ca -0.03 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 3a16 s ILE 85 Cb -0.00 -3.11 0.14 0.00 0.01 0.00 0.00 42.46 39.49 3a16 s ILE 85 CO -0.05 0.42 1.14 1.51 0.00 0.00 0.00 174.94 177.95 3a16 s ASP 86 N 0.78 4.00 0.00 3.58 1.47 -0.29 -4.92 116.67 121.29 3a16 s ASP 86 Ca 0.03 0.16 0.14 0.00 1.18 0.00 0.00 52.55 54.07 3a16 s ASP 86 Cb -0.13 -0.49 0.85 0.00 -0.34 0.00 0.00 42.92 42.80 3a16 s ASP 86 CO 0.02 -2.13 1.29 -0.46 0.68 0.00 0.00 175.17 174.57 3a16 n ASN 87 N -3.25 0.00 -0.79 2.11 0.23 -1.26 -1.39 115.26 110.91 3a16 n ASN 87 Ca 0.13 -0.74 0.10 0.00 -0.53 0.00 0.00 54.58 53.53 3a16 n ASN 87 Cb 0.60 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.39 3a16 n ASN 87 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a16 n GLN 88 N -0.87 1.72 -0.74 -3.83 1.13 -1.26 -4.98 117.38 108.55 3a16 n GLN 88 Ca 0.11 -1.68 0.00 0.00 -1.94 0.00 0.00 57.00 53.49 3a16 n GLN 88 Cb 0.05 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.02 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 1.10 0.63 3.75 1.08 0.00 -0.49 -5.04 105.19 106.22 3a16 n GLY 89 Ca 0.12 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 3.69 0.17 1.61 1.51 -1.26 -4.82 117.35 116.24 3a16 s TYR 90 Ca 0.00 1.31 -0.24 0.00 -1.01 0.00 0.00 57.07 57.13 3a16 s TYR 90 Cb 0.00 -2.71 -0.08 0.00 -0.11 0.00 0.00 41.96 39.06 3a16 s TYR 90 CO 0.00 0.29 0.75 -1.21 -1.11 0.00 0.00 175.55 174.27 3a16 s GLU 91 N -0.02 4.49 -0.10 -0.62 2.02 0.81 -1.13 118.70 124.14 3a16 s GLU 91 Ca 0.35 1.07 -0.01 0.00 0.02 0.00 0.00 54.97 56.40 3a16 s GLU 91 Cb -0.19 -3.20 0.03 0.00 0.10 0.00 0.00 34.13 30.87 3a16 s GLU 91 CO 0.19 0.55 -0.02 -0.80 0.02 0.00 0.00 175.26 175.20 3a16 s ASN 92 N -1.22 2.00 -0.24 -0.19 0.01 0.42 -1.26 114.94 114.47 3a16 s ASN 92 Ca 0.36 -0.27 -0.12 0.00 -0.71 0.00 0.00 52.86 52.11 3a16 s ASN 92 Cb -0.22 -0.62 -0.05 0.00 0.41 0.00 0.00 41.25 40.78 3a16 s ASN 92 CO 0.25 -0.18 0.25 -0.76 -1.51 0.00 0.00 177.10 175.15 3a16 s LEU 93 N 1.85 4.10 -0.11 0.60 1.43 0.00 -1.60 118.68 124.96 3a16 s LEU 93 Ca 0.04 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 3a16 s LEU 93 Cb -0.13 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.85 3a16 s LEU 93 CO -0.07 -0.02 -0.16 -0.63 0.23 0.00 0.00 176.35 175.71 3a16 s ILE 94 N 1.36 1.54 -0.24 -0.59 1.01 -0.25 -0.28 121.20 123.76 3a16 s ILE 94 Ca 0.11 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 3a16 s ILE 94 Cb -0.14 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 3a16 s ILE 94 CO 0.07 0.45 0.13 -0.69 0.00 0.00 0.00 174.94 174.90 3a16 s VAL 95 N 0.95 5.04 -0.22 2.92 1.01 0.27 -0.86 120.40 129.50 3a16 s VAL 95 Ca -0.07 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 3a16 s VAL 95 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3a16 s VAL 95 CO -0.01 0.35 0.08 0.54 0.00 0.00 0.00 175.10 176.06 3a16 s VAL 96 N 1.15 4.67 -0.01 2.92 0.11 -0.54 -0.32 120.40 128.38 3a16 s VAL 96 Ca 0.06 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 3a16 s VAL 96 Cb -0.14 -3.15 -0.03 0.00 -1.53 0.00 0.00 36.38 31.52 3a16 s VAL 96 CO 0.05 0.38 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.31 3a16 s GLY 97 N 1.03 1.74 -0.17 6.54 0.00 -0.21 -2.04 107.32 114.21 3a16 s GLY 97 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3a16 s GLY 97 CO 0.03 -0.83 -0.16 -0.19 0.00 0.00 0.00 173.10 171.96 3a16 s TYR 98 N -0.95 2.80 0.02 1.90 1.51 -0.20 -1.10 117.35 121.32 3a16 s TYR 98 Ca 0.16 -1.25 0.02 0.00 -1.01 0.00 0.00 57.07 54.98 3a16 s TYR 98 Cb -0.11 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 3a16 s TYR 98 CO 0.06 -0.61 0.02 -1.58 -1.11 0.00 0.00 175.55 172.33 3a16 s TRP 99 N 1.08 3.12 -2.05 2.71 0.51 0.09 -0.45 118.94 123.95 3a16 s TRP 99 Ca -0.00 0.09 0.28 0.00 -2.12 0.00 0.00 56.10 54.35 3a16 s TRP 99 Cb -0.14 -1.66 1.06 0.00 -0.81 0.00 0.00 33.47 31.92 3a16 s TRP 99 CO -0.05 0.49 1.75 1.63 -0.51 0.00 0.00 176.95 180.26 3a16 n LYS 100 N 1.15 1.15 -3.48 4.98 5.02 -1.26 -1.76 118.16 123.96 3a16 n LYS 100 Ca -0.13 -0.58 -0.12 0.00 -2.02 0.00 0.00 58.31 55.46 3a16 n LYS 100 Cb 0.52 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.26 -0.48 0.12 4.39 -4.77 -1.24 -4.59 116.67 107.84 3a16 s ASP 101 Ca 0.33 -0.05 -0.11 0.00 -3.30 0.00 0.00 52.55 49.42 3a16 s ASP 101 Cb 0.20 0.56 -0.10 0.00 -1.09 0.00 0.00 42.92 42.50 3a16 s ASP 101 CO 0.43 -0.92 1.36 0.58 0.70 0.00 0.00 175.17 177.32 3a16 h VAL 102 N 2.16 1.29 -0.46 2.11 2.07 -1.90 -3.25 116.25 118.27 3a16 h VAL 102 Ca -0.34 -1.90 -0.07 0.00 0.82 0.00 0.00 66.70 65.20 3a16 h VAL 102 Cb 1.29 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 3a16 h VAL 102 CO 0.40 0.61 -0.02 0.77 0.02 0.00 0.00 177.57 179.35 3a16 h SER 103 N 0.55 0.73 -0.42 0.57 4.64 -1.98 -1.47 113.55 116.18 3a16 h SER 103 Ca -0.03 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 3a16 h SER 103 Cb 1.31 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3a16 h SER 103 CO 0.14 0.81 0.14 0.77 -0.87 0.00 0.00 176.83 177.83 3a16 h SER 104 N 0.71 0.61 -0.56 4.97 4.64 -1.92 -0.33 113.55 121.66 3a16 h SER 104 Ca 0.14 -0.20 -0.08 0.00 -0.47 0.00 0.00 61.79 61.18 3a16 h SER 104 Cb 0.46 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3a16 h SER 104 CO 0.02 0.65 0.07 -0.61 -0.87 0.00 0.00 176.83 176.09 3a16 h GLN 105 N 0.54 0.98 -0.43 4.77 -0.00 -1.53 -0.53 115.11 118.92 3a16 h GLN 105 Ca 0.14 -0.26 -0.05 0.00 -0.00 0.00 0.00 58.65 58.48 3a16 h GLN 105 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.59 3a16 h GLN 105 CO -0.01 0.92 0.07 1.25 0.00 0.00 0.00 178.83 181.07 3a16 h HIS 106 N 0.92 0.75 -0.48 3.99 2.76 -1.09 0.12 115.15 122.13 3a16 h HIS 106 Ca 0.18 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3a16 h HIS 106 Cb 0.44 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 3a16 h HIS 106 CO 0.03 0.73 0.16 0.00 -1.30 0.00 0.00 177.93 177.54 3a16 h ARG 107 N 0.57 0.70 0.20 5.26 3.08 -0.87 -0.95 114.38 122.37 3a16 h ARG 107 Ca 0.13 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3a16 h ARG 107 Cb 0.38 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3a16 h ARG 107 CO 0.01 0.61 -0.10 2.35 -1.07 0.00 0.00 179.97 181.77 3a16 h TRP 108 N 0.69 -0.25 -0.24 3.04 7.01 -0.80 -2.63 115.95 122.77 3a16 h TRP 108 Ca 0.16 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 3a16 h TRP 108 Cb 0.19 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 3a16 h TRP 108 CO 0.01 0.10 0.09 0.77 -2.79 0.00 0.00 178.44 176.62 3a16 h SER 109 N -0.64 0.30 0.24 2.65 0.02 -0.57 -2.64 113.55 112.91 3a16 h SER 109 Ca -0.03 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3a16 h SER 109 Cb 0.46 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3a16 h SER 109 CO 0.05 0.29 -0.35 0.35 -1.14 0.00 0.00 176.83 176.02 3a16 n THR 110 N -4.43 0.00 -2.19 -2.27 -2.24 -0.38 -3.39 114.28 99.38 3a16 n THR 110 Ca 0.01 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 3a16 n THR 110 Cb 0.13 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.60 6.62 0.21 3.42 1.04 -0.99 -4.75 113.70 116.64 3a16 s SER 111 Ca 0.21 2.53 -0.20 0.00 0.48 0.00 0.00 55.95 58.97 3a16 s SER 111 Cb 0.19 -2.63 0.17 0.00 0.10 0.00 0.00 66.02 63.84 3a16 s SER 111 CO 0.57 -0.63 1.57 0.74 0.98 0.00 0.00 173.24 176.47 3a16 h THR 112 N 2.66 0.08 -0.82 2.02 2.02 -1.90 0.68 112.91 117.64 3a16 h THR 112 Ca -0.49 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.70 3a16 h THR 112 Cb 1.23 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 3a16 h THR 112 CO 0.64 0.00 0.54 -0.65 0.37 0.00 0.00 175.52 176.42 3a16 h PRO 113 N -0.09 1.08 0.00 6.66 0.11 -1.93 0.24 132.00 138.08 3a16 h PRO 113 Ca 0.28 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3a16 h PRO 113 Cb 0.57 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3a16 h PRO 113 CO -0.83 0.71 -0.04 0.82 -0.21 0.00 0.00 178.00 178.45 3a16 h ILE 114 N 1.11 1.72 -0.57 4.15 1.08 -1.59 -3.12 117.51 120.29 3a16 h ILE 114 Ca 0.30 -2.16 -0.11 0.00 -0.39 0.00 0.00 64.86 62.50 3a16 h ILE 114 Cb -0.13 3.18 -0.02 0.00 -3.07 0.00 0.00 36.82 36.79 3a16 h ILE 114 CO -0.07 0.56 -0.06 0.00 -0.69 0.00 0.00 178.15 177.90 3a16 h ALA 115 N 0.09 0.80 -0.10 1.87 0.00 -0.84 -2.02 119.26 119.07 3a16 h ALA 115 Ca -0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3a16 h ALA 115 Cb 0.95 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3a16 h ALA 115 CO 0.01 0.67 -0.37 0.66 0.00 0.00 0.00 179.25 180.22 3a16 h SER 116 N 0.94 0.21 -0.06 0.00 4.64 -1.10 -1.51 113.55 116.67 3a16 h SER 116 Ca 0.16 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3a16 h SER 116 Cb 0.63 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3a16 h SER 116 CO 0.04 0.56 -0.02 -0.25 -0.87 0.00 0.00 176.83 176.30 3a16 h TRP 117 N 0.17 0.14 -0.32 4.77 7.01 -1.42 -1.71 115.95 124.60 3a16 h TRP 117 Ca 0.02 -0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.88 3a16 h TRP 117 Cb 0.73 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 3a16 h TRP 117 CO 0.01 0.46 -0.24 2.35 -2.79 0.00 0.00 178.44 178.23 3a16 h TRP 118 N -0.22 0.70 -0.01 2.65 2.91 -1.34 -3.01 115.95 117.64 3a16 h TRP 118 Ca 0.02 -0.15 0.00 0.00 1.13 0.00 0.00 58.89 59.88 3a16 h TRP 118 Cb 0.41 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 3a16 h TRP 118 CO 0.05 0.81 -0.15 0.39 -1.03 0.00 0.00 178.44 178.50 3a16 n GLU 119 N -4.11 0.77 -1.91 2.65 1.02 -0.57 -4.93 120.64 113.56 3a16 n GLU 119 Ca -0.00 -0.34 -0.38 0.00 -0.02 0.00 0.00 57.16 56.42 3a16 n GLU 119 Cb 0.42 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.46 5.47 0.57 1.62 0.15 -0.64 -4.91 113.70 113.49 3a16 s SER 120 Ca 0.28 2.63 0.36 0.00 0.70 0.00 0.00 55.95 59.91 3a16 s SER 120 Cb 0.20 -2.63 1.56 0.00 -1.71 0.00 0.00 66.02 63.44 3a16 s SER 120 CO 0.48 -1.42 2.05 -0.33 1.20 0.00 0.00 173.24 175.22 3a16 h GLU 121 N 1.55 0.00 -0.31 5.44 4.39 -1.90 -2.58 114.58 121.17 3a16 h GLU 121 Ca -0.50 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.25 3a16 h GLU 121 Cb 1.29 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 3a16 h GLU 121 CO 0.58 0.00 0.21 -0.44 -1.16 0.00 0.00 179.01 178.20 3a16 h ASP 122 N 0.00 0.16 0.04 1.42 3.32 -1.92 -2.41 116.42 117.02 3a16 h ASP 122 Ca 0.00 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3a16 h ASP 122 Cb 0.41 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3a16 h ASP 122 CO 0.00 0.10 -0.19 0.03 -1.72 0.00 0.00 179.24 177.46 3a16 h ARG 123 N 0.18 0.29 0.00 3.56 2.47 -1.75 0.35 114.38 119.47 3a16 h ARG 123 Ca 0.14 -0.08 -0.19 0.00 -1.26 0.00 0.00 59.98 58.58 3a16 h ARG 123 Cb 0.32 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.58 3a16 h ARG 123 CO -0.02 0.48 -1.08 -0.07 0.56 0.00 0.00 179.97 179.84 3a16 h LEU 124 N 0.27 0.00 0.00 3.04 3.38 -1.63 -3.37 115.31 117.00 3a16 h LEU 124 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3a16 h LEU 124 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3a16 h LEU 124 CO 0.03 0.79 -1.28 -1.54 0.09 0.00 0.00 178.44 176.54 3a16 n SER 125 N -3.18 0.56 -0.15 -0.43 3.41 -0.95 -4.23 113.62 108.66 3a16 n SER 125 Ca -0.04 0.13 0.13 0.00 -0.26 0.00 0.00 58.87 58.82 3a16 n SER 125 Cb 0.89 0.94 0.48 0.00 -0.26 0.00 0.00 64.21 66.26 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 0.43 0.00 4.04 5.19 -0.47 -3.46 116.42 122.15 3a16 h ASP 126 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3a16 h ASP 126 Cb 0.94 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.38 3a16 h ASP 126 CO 0.00 0.24 0.00 0.61 -3.12 0.00 0.00 179.24 176.97 3a16 n GLY 127 N -1.51 1.87 3.89 2.75 0.00 -1.26 -5.03 105.19 105.90 3a16 n GLY 127 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 3.63 0.21 0.99 1.43 -1.26 -5.00 118.68 118.69 3a16 s LEU 128 Ca 0.00 1.07 -0.20 0.00 -1.03 0.00 0.00 54.13 53.98 3a16 s LEU 128 Cb 0.00 -4.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.12 3a16 s LEU 128 CO 0.00 -0.57 0.71 -0.83 0.23 0.00 0.00 176.35 175.90 3a16 s GLY 129 N -3.81 2.62 -0.01 -3.19 0.00 0.30 -4.69 107.32 98.54 3a16 s GLY 129 Ca 0.50 0.15 0.03 0.00 0.00 0.00 0.00 44.72 45.40 3a16 s GLY 129 CO 0.42 0.51 -0.10 -1.36 0.00 0.00 0.00 173.10 172.57 3a16 s PHE 130 N -1.50 0.96 0.04 1.90 0.08 0.42 -0.27 117.98 119.61 3a16 s PHE 130 Ca 0.42 -0.20 -0.03 0.00 0.12 0.00 0.00 56.93 57.25 3a16 s PHE 130 Cb -0.17 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 3a16 s PHE 130 CO 0.21 -0.04 0.03 -0.59 -0.10 0.00 0.00 175.22 174.73 3a16 s PHE 131 N -0.13 0.33 -0.11 0.36 -0.12 -0.62 0.09 117.98 117.77 3a16 s PHE 131 Ca 0.02 -0.72 -0.01 0.00 -0.05 0.00 0.00 56.93 56.17 3a16 s PHE 131 Cb -0.05 -0.24 0.04 0.00 -0.63 0.00 0.00 43.02 42.13 3a16 s PHE 131 CO -0.00 -0.34 -0.01 1.03 -0.05 0.00 0.00 175.22 175.85 3a16 s ARG 132 N -2.86 0.85 -0.36 1.99 0.52 -0.16 -0.49 118.95 118.44 3a16 s ARG 132 Ca -0.03 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.08 3a16 s ARG 132 Cb 0.00 -1.43 0.10 0.00 0.52 0.00 0.00 34.95 34.15 3a16 s ARG 132 CO -0.06 -0.38 0.09 -1.21 0.02 0.00 0.00 175.30 173.76 3a16 s GLU 133 N 1.87 1.61 -0.20 3.54 2.02 0.24 -0.66 118.70 127.11 3a16 s GLU 133 Ca 0.03 -1.92 0.02 0.00 0.02 0.00 0.00 54.97 53.12 3a16 s GLU 133 Cb -0.14 -3.29 0.03 0.00 0.10 0.00 0.00 34.13 30.84 3a16 s GLU 133 CO -0.07 -0.97 -0.17 0.42 0.02 0.00 0.00 175.26 174.49 3a16 s ILE 134 N 0.87 2.08 0.02 -1.63 1.01 0.06 -1.17 121.20 122.43 3a16 s ILE 134 Ca 0.11 -1.14 0.05 0.00 0.00 0.00 0.00 60.65 59.67 3a16 s ILE 134 Cb -0.20 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 3a16 s ILE 134 CO -0.07 0.36 -0.15 0.68 0.00 0.00 0.00 174.94 175.77 3a16 s VAL 135 N 1.24 1.15 -0.52 2.92 -7.23 -0.22 -0.95 120.40 116.78 3a16 s VAL 135 Ca 0.01 -0.83 0.06 0.00 -1.81 0.00 0.00 61.98 59.40 3a16 s VAL 135 Cb -0.15 -1.01 0.21 0.00 0.56 0.00 0.00 36.38 36.00 3a16 s VAL 135 CO -0.11 0.16 0.53 0.00 -0.31 0.00 0.00 175.10 175.38 3a16 n ALA 136 N 2.28 3.16 -1.77 1.32 0.00 -0.34 -0.39 120.51 124.77 3a16 n ALA 136 Ca -0.16 -3.91 -0.38 0.00 0.00 0.00 0.00 53.44 48.98 3a16 n ALA 136 Cb 0.55 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 3a16 n ALA 136 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3a16 s PRO 137 N -1.29 4.45 0.90 0.00 0.04 -1.18 -4.76 135.00 133.15 3a16 s PRO 137 Ca 0.34 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 3a16 s PRO 137 Cb 0.09 -2.88 0.13 0.00 0.04 0.00 0.00 34.50 31.88 3a16 s PRO 137 CO -0.12 0.09 1.09 1.03 0.04 0.00 0.00 177.00 179.14 3a16 s ARG 138 N -1.94 1.26 0.52 4.56 0.52 -1.26 -1.61 118.95 121.00 3a16 s ARG 138 Ca 0.50 0.74 0.17 0.00 -0.52 0.00 0.00 55.73 56.63 3a16 s ARG 138 Cb -0.26 -1.82 1.29 0.00 0.52 0.00 0.00 34.95 34.69 3a16 s ARG 138 CO 0.33 -2.22 2.13 0.00 0.02 0.00 0.00 175.30 175.56 3a16 h ALA 139 N -1.53 2.06 0.00 2.13 0.00 -1.02 0.13 119.26 121.03 3a16 h ALA 139 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3a16 h ALA 139 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3a16 h ALA 139 CO 0.56 -0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.88 3a16 n GLU 140 N -4.51 0.06 -0.41 0.00 0.28 -1.26 -3.78 120.64 111.01 3a16 n GLU 140 Ca -0.01 0.09 0.08 0.00 -0.16 0.00 0.00 57.16 57.16 3a16 n GLU 140 Cb 0.15 -1.57 0.26 0.00 1.43 0.00 0.00 31.44 31.71 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 -1.67 3.19 -4.04 3.44 6.02 0.03 -1.43 117.38 122.92 3a16 n GLN 141 Ca 0.06 -2.58 -0.08 0.00 -0.01 0.00 0.00 57.00 54.39 3a16 n GLN 141 Cb 0.33 -1.65 -0.10 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.77 0.41 0.05 1.08 -0.12 -1.22 -1.35 117.98 115.07 3a16 s PHE 142 Ca 0.39 -0.84 0.03 0.00 -0.05 0.00 0.00 56.93 56.46 3a16 s PHE 142 Cb 0.26 -0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.32 3a16 s PHE 142 CO 0.18 -0.31 -0.10 -1.83 -0.05 0.00 0.00 175.22 173.11 3a16 s GLU 143 N -2.97 0.64 0.23 1.99 4.04 -0.06 -4.59 118.70 117.98 3a16 s GLU 143 Ca -0.02 -0.85 0.10 0.00 0.04 0.00 0.00 54.97 54.24 3a16 s GLU 143 Cb 0.01 -0.46 -0.05 0.00 0.02 0.00 0.00 34.13 33.66 3a16 s GLU 143 CO -0.06 0.09 -0.18 0.95 -1.84 0.00 0.00 175.26 174.21 3a16 s THR 144 N -1.46 2.09 -0.18 1.83 -4.23 -1.26 -0.90 115.64 111.53 3a16 s THR 144 Ca -0.06 -2.24 -0.09 0.00 -1.18 0.00 0.00 61.69 58.12 3a16 s THR 144 Cb -0.09 -2.12 0.07 0.00 1.34 0.00 0.00 72.50 71.69 3a16 s THR 144 CO 0.01 -0.44 0.42 -0.22 -0.54 0.00 0.00 174.62 173.84 3a16 s LEU 145 N -3.26 -0.29 -0.04 4.79 2.96 -0.28 -4.68 118.68 117.89 3a16 s LEU 145 Ca 0.24 0.94 0.04 0.00 -0.22 0.00 0.00 54.13 55.13 3a16 s LEU 145 Cb -0.04 1.37 -0.00 0.00 0.50 0.00 0.00 46.19 48.02 3a16 s LEU 145 CO 0.10 -0.21 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.47 3a16 s TYR 146 N 1.80 1.50 -0.27 5.38 2.02 0.69 -0.85 117.35 127.63 3a16 s TYR 146 Ca -0.07 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 3a16 s TYR 146 Cb -0.09 -1.02 0.36 0.00 -0.40 0.00 0.00 41.96 40.81 3a16 s TYR 146 CO -0.13 -0.14 1.58 0.00 -1.57 0.00 0.00 175.55 175.29 3a16 n ALA 147 N 3.17 4.37 -3.83 3.71 0.00 -0.32 -0.95 120.51 126.66 3a16 n ALA 147 Ca -0.18 -1.66 -0.07 0.00 0.00 0.00 0.00 53.44 51.53 3a16 n ALA 147 Cb 0.53 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.88 0.02 0.00 0.00 -0.71 -1.26 -4.76 117.98 109.39 3a16 s PHE 148 Ca 0.32 -0.57 0.00 0.00 -1.04 0.00 0.00 56.93 55.64 3a16 s PHE 148 Cb 0.27 0.77 0.00 0.00 -1.21 0.00 0.00 43.02 42.85 3a16 s PHE 148 CO 0.05 -1.32 0.00 1.04 -1.34 0.00 0.00 175.22 173.65 3a16 n GLN 149 N -0.54 1.17 -4.25 1.99 6.02 -1.26 -4.59 117.38 115.92 3a16 n GLN 149 Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.64 3a16 n GLN 149 Cb 0.60 -0.95 -0.10 0.00 1.02 0.00 0.00 30.24 30.81 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 -1.83 2.10 -0.99 -1.09 1.03 -1.26 -4.75 118.70 111.92 3a16 s GLU 150 Ca 0.00 -1.12 -0.08 0.00 0.03 0.00 0.00 54.97 53.80 3a16 s GLU 150 Cb 0.00 -2.25 -0.04 0.00 -0.80 0.00 0.00 34.13 31.04 3a16 s GLU 150 CO 0.00 0.48 0.82 -3.47 -1.33 0.00 0.00 175.26 171.76 3a16 n ASP 151 N 0.44 -6.50 -4.70 0.83 2.03 -1.26 -4.89 116.55 102.50 3a16 n ASP 151 Ca -0.12 -0.66 -0.42 0.00 0.52 0.00 0.00 54.79 54.11 3a16 n ASP 151 Cb 0.53 -4.60 -0.03 0.00 -0.72 0.00 0.00 41.12 36.31 3a16 n ASP 151 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3a16 s LEU 152 N -5.34 4.35 0.77 -2.67 1.43 -1.26 -5.03 118.68 110.93 3a16 s LEU 152 Ca 0.34 2.19 -0.09 0.00 -1.03 0.00 0.00 54.13 55.53 3a16 s LEU 152 Cb -0.07 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.65 3a16 s LEU 152 CO 0.78 -0.64 1.11 -2.16 0.23 0.00 0.00 176.35 175.66 3a16 s PRO 153 N 1.60 1.99 4.39 1.29 0.04 -1.26 -2.80 135.00 140.25 3a16 s PRO 153 Ca 0.63 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3a16 s PRO 153 Cb -0.33 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3a16 s PRO 153 CO 0.29 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 176.26 3a16 n GLY 154 N -3.15 1.40 0.36 0.56 0.00 -1.26 -2.55 105.19 100.55 3a16 n GLY 154 Ca 0.09 -0.57 0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 0.58 -0.56 1.61 3.04 -1.99 -1.02 116.25 117.90 3a16 h VAL 155 Ca 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.76 3a16 h VAL 155 Cb 0.00 0.78 -0.03 0.00 -2.01 0.00 0.00 31.29 30.03 3a16 h VAL 155 CO 0.00 0.00 0.37 1.23 -1.01 0.00 0.00 177.57 178.16 3a16 h GLY 156 N 0.00 0.62 2.00 3.17 0.00 -1.77 -1.38 103.07 105.71 3a16 h GLY 156 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3a16 h GLY 156 CO -0.00 0.15 -0.03 0.00 0.00 0.00 0.00 176.54 176.65 3a16 h ALA 157 N 1.70 1.41 -0.16 3.60 0.00 -1.01 -2.39 119.26 122.41 3a16 h ALA 157 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3a16 h ALA 157 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3a16 h ALA 157 CO -0.07 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.55 3a16 n VAL 158 N -3.71 0.21 -2.36 0.00 0.24 -0.53 -4.94 118.33 107.23 3a16 n VAL 158 Ca -0.03 -0.60 -0.24 0.00 -2.04 0.00 0.00 64.34 61.43 3a16 n VAL 158 Cb 0.12 1.27 0.06 0.00 -1.47 0.00 0.00 33.84 33.81 3a16 n VAL 158 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3a16 s MET 159 N -1.68 2.33 0.29 7.34 -1.94 -0.90 -4.97 119.30 119.78 3a16 s MET 159 Ca 0.30 -0.45 0.20 0.00 -1.71 0.00 0.00 55.69 54.04 3a16 s MET 159 Cb 0.20 -2.29 0.13 0.00 2.01 0.00 0.00 34.83 34.88 3a16 s MET 159 CO 0.29 -1.04 1.32 -0.44 -0.01 0.00 0.00 175.02 175.13 3a16 h ASP 160 N -0.35 0.00 0.00 3.03 3.32 -0.85 -3.49 116.42 118.08 3a16 h ASP 160 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3a16 h ASP 160 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3a16 h ASP 160 CO 0.57 0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.88 3a16 n GLY 161 N 1.19 -0.77 3.68 2.75 0.00 -0.76 -5.00 105.19 106.28 3a16 n GLY 161 Ca 0.01 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 4.12 0.91 -0.61 1.10 -1.26 0.08 121.20 122.54 3a16 s ILE 162 Ca 0.00 -0.69 -0.13 0.00 -0.51 0.00 0.00 60.65 59.33 3a16 s ILE 162 Cb 0.00 -2.87 0.18 0.00 0.15 0.00 0.00 42.46 39.93 3a16 s ILE 162 CO 0.00 0.32 1.25 -0.94 -2.11 0.00 0.00 174.94 173.46 3a16 s SER 163 N -1.72 3.41 0.94 4.50 1.04 -0.29 -4.80 113.70 116.77 3a16 s SER 163 Ca 0.21 0.16 -0.10 0.00 0.48 0.00 0.00 55.95 56.70 3a16 s SER 163 Cb -0.12 -0.28 0.16 0.00 0.10 0.00 0.00 66.02 65.88 3a16 s SER 163 CO 0.12 -2.53 0.97 0.61 0.98 0.00 0.00 173.24 173.38 3a16 n GLY 164 N -3.57 -1.03 3.66 7.32 0.00 -1.26 -4.75 105.19 105.55 3a16 n GLY 164 Ca 0.15 -1.76 -0.46 0.00 0.00 0.00 0.00 46.02 43.95 3a16 n GLY 164 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a16 n GLU 165 N -3.01 1.95 -4.06 1.61 1.02 -1.26 -4.56 120.64 112.33 3a16 n GLU 165 Ca 0.13 0.70 -0.28 0.00 -0.02 0.00 0.00 57.16 57.68 3a16 n GLU 165 Cb 0.44 -2.38 -0.06 0.00 -0.02 0.00 0.00 31.44 29.42 3a16 n GLU 165 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3a16 s ILE 166 N 0.30 4.56 0.06 -3.67 -4.36 -0.72 -3.60 121.20 113.78 3a16 s ILE 166 Ca 0.73 -0.90 -0.12 0.00 -0.26 0.00 0.00 60.65 60.09 3a16 s ILE 166 Cb -0.70 -3.27 -0.29 0.00 1.25 0.00 0.00 42.46 39.46 3a16 s ILE 166 CO 0.46 0.01 1.12 -1.13 0.24 0.00 0.00 174.94 175.63 3a16 h ASN 167 N 2.82 0.79 -0.67 4.36 -0.73 -1.63 -3.42 115.58 117.10 3a16 h ASN 167 Ca -0.47 -0.74 -0.73 0.00 1.87 0.00 0.00 56.30 56.23 3a16 h ASN 167 Cb 1.18 -0.25 -0.08 0.00 0.27 0.00 0.00 38.32 39.44 3a16 h ASN 167 CO 0.65 1.56 2.75 -0.62 -0.37 0.00 0.00 177.43 181.40 3a16 n GLU 168 N -3.74 3.55 -3.56 6.67 4.71 -1.26 -4.52 120.64 122.48 3a16 n GLU 168 Ca -0.13 -3.00 -0.11 0.00 -0.01 0.00 0.00 57.16 53.92 3a16 n GLU 168 Cb 0.99 -2.97 -0.02 0.00 -1.01 0.00 0.00 31.44 28.43 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 1.33 -0.42 0.00 -0.32 -3.43 -1.26 -4.68 115.29 106.51 3a16 s HIS 169 Ca 0.49 0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.89 3a16 s HIS 169 Cb 0.14 0.58 0.00 0.00 -1.43 0.00 0.00 32.58 31.87 3a16 s HIS 169 CO -0.05 -0.95 0.00 0.41 -2.00 0.00 0.00 174.74 172.15 3a16 n GLY 170 N -0.39 0.80 3.35 -1.38 0.00 -1.26 -4.63 105.19 101.68 3a16 n GLY 170 Ca -0.13 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.43 0.28 1.61 1.13 -1.26 -4.92 117.35 111.76 3a16 s TYR 171 Ca 0.00 0.89 -0.29 0.00 -1.41 0.00 0.00 57.07 56.25 3a16 s TYR 171 Cb 0.00 0.19 -0.10 0.00 -1.10 0.00 0.00 41.96 40.96 3a16 s TYR 171 CO 0.00 -0.37 1.35 -1.58 -2.51 0.00 0.00 175.55 172.44 3a16 s TRP 172 N -0.59 3.08 0.00 -3.49 0.52 -1.26 -1.44 118.94 115.76 3a16 s TRP 172 Ca -0.07 1.24 0.00 0.00 0.02 0.00 0.00 56.10 57.29 3a16 s TRP 172 Cb -0.03 -3.71 0.00 0.00 -1.15 0.00 0.00 33.47 28.57 3a16 s TRP 172 CO 0.04 -2.14 0.00 0.41 0.02 0.00 0.00 176.95 175.27 3a16 n GLY 173 N 1.58 0.36 0.19 0.98 0.00 -1.26 -4.95 105.19 102.10 3a16 n GLY 173 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.46 -0.08 1.61 4.64 -1.57 -2.77 113.55 115.83 3a16 h SER 174 Ca 0.00 -0.26 0.04 0.00 -0.47 0.00 0.00 61.79 61.10 3a16 h SER 174 Cb 0.00 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 61.91 3a16 h SER 174 CO 0.00 0.95 -0.21 -0.03 -0.87 0.00 0.00 176.83 176.66 3a16 h MET 175 N 0.30 -0.29 -0.72 4.77 -1.53 -1.83 -1.52 114.93 114.12 3a16 h MET 175 Ca -0.00 0.02 0.13 0.00 -3.44 0.00 0.00 59.70 56.41 3a16 h MET 175 Cb 1.12 0.07 -0.09 0.00 -0.55 0.00 0.00 31.60 32.15 3a16 h MET 175 CO 0.10 -0.19 0.26 -0.09 0.14 0.00 0.00 176.91 177.13 3a16 h ARG 176 N -0.30 0.39 0.00 0.39 2.43 -1.94 -1.48 114.38 113.87 3a16 h ARG 176 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3a16 h ARG 176 Cb 0.42 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3a16 h ARG 176 CO -0.25 0.26 0.00 0.93 -1.51 0.00 0.00 179.97 179.39 3a16 h GLU 177 N 0.40 0.00 0.00 0.20 5.08 -1.06 -2.20 114.58 117.00 3a16 h GLU 177 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3a16 h GLU 177 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3a16 h GLU 177 CO -0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.60 3a16 h ARG 178 N 0.00 0.00 -6.25 2.33 3.08 -0.31 -3.43 114.38 109.80 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 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 3a16 h ARG 178 CO 0.00 0.00 1.01 -0.06 -1.07 0.00 0.00 179.97 179.85 3a16 s PHE 179 N -3.12 2.48 0.47 3.04 0.40 -0.83 -4.64 117.98 115.79 3a16 s PHE 179 Ca 0.10 0.73 0.17 0.00 -0.60 0.00 0.00 56.93 57.33 3a16 s PHE 179 Cb 0.11 -3.80 1.15 0.00 0.51 0.00 0.00 43.02 40.99 3a16 s PHE 179 CO 0.61 -2.33 2.01 -1.35 0.70 0.00 0.00 175.22 174.86 3a16 h PRO 180 N 9.35 0.25 0.00 0.24 0.11 -1.79 -0.13 132.00 140.03 3a16 h PRO 180 Ca -0.30 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3a16 h PRO 180 Cb 1.12 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3a16 h PRO 180 CO 0.99 0.17 -0.04 0.97 -0.21 0.00 0.00 178.00 179.88 3a16 h ILE 181 N 0.26 0.35 0.00 4.15 2.10 -1.60 -2.54 117.51 120.23 3a16 h ILE 181 Ca 0.23 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.92 3a16 h ILE 181 Cb 0.57 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 3a16 h ILE 181 CO -0.05 0.04 0.02 -1.54 -1.08 0.00 0.00 178.15 175.55 3a16 n SER 182 N -3.50 0.51 0.25 2.19 3.41 -0.06 -0.28 113.62 116.14 3a16 n SER 182 Ca -0.02 0.73 0.17 0.00 -0.26 0.00 0.00 58.87 59.49 3a16 n SER 182 Cb 0.16 -0.79 0.76 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.63 -3.38 115.11 118.63 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 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3a16 h GLN 183 CO 0.00 0.00 -0.21 2.41 -0.67 0.00 0.00 178.83 180.36 3a16 n THR 184 N -2.82 0.00 -4.97 -0.54 -1.04 0.05 -1.14 114.28 103.82 3a16 n THR 184 Ca -0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 3a16 n THR 184 Cb 0.21 -0.12 -0.15 0.00 -1.82 0.00 0.00 70.33 68.45 3a16 n THR 184 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3a16 s ASP 185 N -2.93 2.83 0.21 8.00 -1.08 0.61 -4.74 116.67 119.56 3a16 s ASP 185 Ca 0.00 -0.50 0.26 0.00 -0.52 0.00 0.00 52.55 51.79 3a16 s ASP 185 Cb 0.00 -0.28 0.77 0.00 -1.46 0.00 0.00 42.92 41.95 3a16 s ASP 185 CO 0.00 0.25 1.75 0.79 0.52 0.00 0.00 175.17 178.48 3a16 n TRP 186 N 2.12 0.93 -3.80 -5.34 7.02 -1.26 -4.23 117.44 112.88 3a16 n TRP 186 Ca -0.16 0.27 -0.26 0.00 -1.02 0.00 0.00 57.50 56.33 3a16 n TRP 186 Cb 0.52 -0.94 0.03 0.00 -2.42 0.00 0.00 31.31 28.51 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 -2.27 -5.34 -2.66 -0.99 2.81 -1.26 -4.92 117.12 102.49 3a16 n MET 187 Ca 0.05 0.62 -0.42 0.00 -1.81 0.00 0.00 57.70 56.14 3a16 n MET 187 Cb 0.43 -5.36 -0.03 0.00 -0.71 0.00 0.00 33.22 27.56 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 -6.30 4.51 0.32 0.03 0.74 -1.26 -4.60 119.66 113.10 3a16 s GLN 188 Ca 0.34 1.47 -0.29 0.00 0.05 0.00 0.00 55.36 56.94 3a16 s GLN 188 Cb -0.17 -3.46 -0.10 0.00 1.10 0.00 0.00 33.01 30.38 3a16 s GLN 188 CO 0.82 -0.13 1.22 0.00 -0.55 0.00 0.00 175.29 176.65 3a16 s ALA 189 N 1.20 3.43 0.04 1.58 0.00 -1.26 -4.62 121.76 122.14 3a16 s ALA 189 Ca 0.53 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 53.42 3a16 s ALA 189 Cb -0.22 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.52 3a16 s ALA 189 CO 0.27 -0.47 0.39 -1.54 0.00 0.00 0.00 175.76 174.41 3a16 s SER 190 N -0.68 -0.25 0.00 0.00 1.04 -1.12 -5.03 113.70 107.66 3a16 s SER 190 Ca 0.48 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.87 3a16 s SER 190 Cb -0.36 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.17 3a16 s SER 190 CO 0.48 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3a16 n GLY 191 N 0.52 -3.43 3.28 7.32 0.00 -1.26 -1.62 105.19 109.99 3a16 n GLY 191 Ca -0.18 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.93 1.60 -0.18 1.61 8.01 -1.26 -4.89 118.70 122.66 3a16 s GLU 192 Ca 0.00 -0.95 -0.29 0.00 0.01 0.00 0.00 54.97 53.73 3a16 s GLU 192 Cb 0.00 -1.69 -0.02 0.00 -4.31 0.00 0.00 34.13 28.11 3a16 s GLU 192 CO 0.00 0.44 1.31 -1.17 0.01 0.00 0.00 175.26 175.86 3a16 s LEU 193 N -1.04 4.14 -0.02 1.80 2.96 -1.26 -4.20 118.68 121.06 3a16 s LEU 193 Ca 0.09 1.67 0.02 0.00 -0.22 0.00 0.00 54.13 55.69 3a16 s LEU 193 Cb -0.09 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3a16 s LEU 193 CO 0.01 -0.84 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.00 3a16 s ARG 194 N 3.68 0.75 0.07 1.98 0.52 -0.78 -0.58 118.95 124.60 3a16 s ARG 194 Ca 0.57 -0.25 -0.30 0.00 -0.52 0.00 0.00 55.73 55.23 3a16 s ARG 194 Cb -0.22 -0.73 -0.06 0.00 0.52 0.00 0.00 34.95 34.47 3a16 s ARG 194 CO 0.17 0.10 1.17 0.08 0.02 0.00 0.00 175.30 176.84 3a16 s VAL 195 N 0.15 4.07 -0.22 3.52 1.01 0.05 -0.57 120.40 128.40 3a16 s VAL 195 Ca -0.02 1.53 0.10 0.00 0.00 0.00 0.00 61.98 63.59 3a16 s VAL 195 Cb -0.07 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 3a16 s VAL 195 CO 0.00 0.14 0.31 2.30 0.00 0.00 0.00 175.10 177.85 3a16 n ILE 196 N 3.69 0.00 -3.72 2.22 -5.35 0.25 -4.51 119.36 111.94 3a16 n ILE 196 Ca 0.08 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.19 3a16 n ILE 196 Cb 0.47 0.60 -0.11 0.00 -1.74 0.00 0.00 39.64 38.86 3a16 n ILE 196 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a16 s ALA 197 N -2.34 -0.91 0.00 -1.28 0.00 -1.15 -4.98 121.76 111.09 3a16 s ALA 197 Ca -0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3a16 s ALA 197 Cb 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3a16 s ALA 197 CO 0.41 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.36 3a16 n GLY 198 N 3.80 -1.77 3.17 0.00 0.00 -1.26 -1.16 105.19 107.97 3a16 n GLY 198 Ca -0.20 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 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 -4.00 -0.07 0.25 1.61 2.15 -1.26 -4.77 116.67 110.57 3a16 s ASP 199 Ca 0.00 0.83 -0.04 0.00 0.43 0.00 0.00 52.55 53.77 3a16 s ASP 199 Cb 0.00 1.05 0.37 0.00 -0.30 0.00 0.00 42.92 44.04 3a16 s ASP 199 CO 0.00 -0.23 1.85 -0.65 -0.17 0.00 0.00 175.17 175.97 3a16 h PRO 200 N 8.09 0.95 0.00 4.34 0.11 -1.93 -2.88 132.00 140.68 3a16 h PRO 200 Ca -0.18 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 3a16 h PRO 200 Cb 1.12 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3a16 h PRO 200 CO 0.15 0.63 -0.01 0.00 -0.21 0.00 0.00 178.00 178.55 3a16 h ALA 201 N 1.43 1.38 0.00 -0.75 0.00 -1.96 -2.28 119.26 117.07 3a16 h ALA 201 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3a16 h ALA 201 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3a16 h ALA 201 CO -0.19 0.01 -1.82 0.28 0.00 0.00 0.00 179.25 177.53 3a16 n VAL 202 N -3.65 0.06 -3.22 0.00 0.31 -1.10 -5.04 118.33 105.69 3a16 n VAL 202 Ca -0.03 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 3a16 n VAL 202 Cb 0.09 0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 1.27 -0.60 7.00 2.92 0.00 -0.86 -5.07 105.19 109.86 3a16 n GLY 203 Ca -0.03 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 0.12 3.67 -0.02 0.00 -1.26 -4.56 105.19 103.14 3a16 n GLY 204 Ca 0.00 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 4.31 -0.05 1.61 0.52 -1.26 -1.22 118.95 122.86 3a16 s ARG 205 Ca 0.00 1.08 0.02 0.00 -0.52 0.00 0.00 55.73 56.31 3a16 s ARG 205 Cb 0.00 -3.57 0.01 0.00 0.52 0.00 0.00 34.95 31.91 3a16 s ARG 205 CO 0.00 -0.34 -0.10 0.08 0.02 0.00 0.00 175.30 174.96 3a16 s VAL 206 N 2.18 0.94 -0.10 3.52 1.01 0.13 -4.27 120.40 123.81 3a16 s VAL 206 Ca 0.40 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3a16 s VAL 206 Cb -0.17 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3a16 s VAL 206 CO 0.13 0.31 -0.20 -0.69 0.00 0.00 0.00 175.10 174.65 3a16 s VAL 207 N 0.66 2.47 -0.06 2.92 1.01 -0.31 -0.01 120.40 127.08 3a16 s VAL 207 Ca -0.12 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.03 3a16 s VAL 207 Cb -0.15 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 3a16 s VAL 207 CO 0.02 0.55 -0.22 -0.69 0.00 0.00 0.00 175.10 174.76 3a16 s VAL 208 N 0.21 1.83 -0.00 2.92 1.01 0.85 -0.58 120.40 126.64 3a16 s VAL 208 Ca -0.12 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.93 3a16 s VAL 208 Cb -0.16 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3a16 s VAL 208 CO 0.07 0.51 0.03 -0.13 0.00 0.00 0.00 175.10 175.58 3a16 s ARG 209 N -0.04 2.87 0.80 2.72 0.52 0.26 -1.90 118.95 124.18 3a16 s ARG 209 Ca -0.05 -0.57 -0.09 0.00 -0.52 0.00 0.00 55.73 54.50 3a16 s ARG 209 Cb -0.13 -2.73 0.12 0.00 0.52 0.00 0.00 34.95 32.73 3a16 s ARG 209 CO 0.04 0.63 1.12 0.20 0.02 0.00 0.00 175.30 177.31 3a16 s GLY 210 N -1.60 1.73 0.48 -3.53 0.00 -1.26 -1.87 107.32 101.27 3a16 s GLY 210 Ca 0.20 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.81 3a16 s GLY 210 CO 0.11 -0.60 0.22 -2.38 0.00 0.00 0.00 173.10 170.45 3a16 s HIS 211 N -3.45 2.08 0.16 1.90 -3.43 -1.26 -4.81 115.29 106.48 3a16 s HIS 211 Ca 0.66 -0.76 -0.33 0.00 -0.80 0.00 0.00 55.06 53.83 3a16 s HIS 211 Cb -0.07 -1.87 -0.13 0.00 -1.43 0.00 0.00 32.58 29.08 3a16 s HIS 211 CO 0.48 -0.04 1.68 -3.47 -2.00 0.00 0.00 174.74 171.38 3a16 n ASP 212 N -1.44 3.55 -3.07 7.38 2.03 -0.64 -3.12 116.55 121.25 3a16 n ASP 212 Ca -0.05 1.06 -0.22 0.00 0.52 0.00 0.00 54.79 56.09 3a16 n ASP 212 Cb 0.65 -1.49 0.05 0.00 -0.72 0.00 0.00 41.12 39.61 3a16 n ASP 212 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3a16 n ASN 213 N 4.11 -6.00 -4.71 1.67 3.02 0.47 -2.79 115.26 111.03 3a16 n ASN 213 Ca 0.17 -0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 53.94 3a16 n ASN 213 Cb 0.32 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.76 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 -4.62 2.20 -4.43 2.41 5.41 -1.18 -4.14 119.36 115.00 3a16 n ILE 214 Ca -0.06 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.87 3a16 n ILE 214 Cb 0.59 -1.64 -0.10 0.00 -0.71 0.00 0.00 39.64 37.78 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 -1.13 2.99 -0.11 -1.39 0.00 -0.68 -2.19 121.76 119.24 3a16 s ALA 215 Ca 0.57 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3a16 s ALA 215 Cb -0.53 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 21.54 3a16 s ALA 215 CO 0.61 0.62 -0.09 -1.17 0.00 0.00 0.00 175.76 175.73 3a16 s LEU 216 N -1.55 1.31 -0.16 0.00 2.96 0.72 0.04 118.68 121.99 3a16 s LEU 216 Ca 0.18 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.73 3a16 s LEU 216 Cb -0.11 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 3a16 s LEU 216 CO 0.09 -0.09 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.50 3a16 s ILE 217 N 1.51 4.09 -0.31 6.68 2.07 0.69 -0.65 121.20 135.29 3a16 s ILE 217 Ca 0.02 -0.29 -0.04 0.00 -1.41 0.00 0.00 60.65 58.93 3a16 s ILE 217 Cb -0.13 -2.80 0.04 0.00 0.13 0.00 0.00 42.46 39.69 3a16 s ILE 217 CO -0.06 0.49 0.05 -0.60 -1.91 0.00 0.00 174.94 172.90 3a16 s ARG 218 N 0.34 2.65 -0.18 3.50 3.52 -0.25 -0.58 118.95 127.95 3a16 s ARG 218 Ca -0.03 -1.14 0.00 0.00 -0.13 0.00 0.00 55.73 54.44 3a16 s ARG 218 Cb -0.14 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.96 3a16 s ARG 218 CO 0.02 -0.59 -0.18 0.45 -0.81 0.00 0.00 175.30 174.19 3a16 s SER 219 N 1.36 3.28 0.29 -2.12 0.15 -0.86 -0.76 113.70 115.05 3a16 s SER 219 Ca -0.02 -0.61 0.11 0.00 0.70 0.00 0.00 55.95 56.13 3a16 s SER 219 Cb -0.19 -1.51 -0.05 0.00 -1.71 0.00 0.00 66.02 62.56 3a16 s SER 219 CO 0.01 0.00 -0.18 -0.83 1.20 0.00 0.00 173.24 173.44 3a16 s GLY 220 N 1.29 1.92 -0.04 9.45 0.00 -0.21 -0.78 107.32 118.96 3a16 s GLY 220 Ca 0.05 -1.91 0.01 0.00 0.00 0.00 0.00 44.72 42.87 3a16 s GLY 220 CO -0.11 -1.97 -0.05 1.20 0.00 0.00 0.00 173.10 172.16 3a16 s GLN 221 N -3.54 0.90 -0.17 2.90 1.11 0.37 -2.78 119.66 118.46 3a16 s GLN 221 Ca 0.30 -0.14 -0.02 0.00 0.01 0.00 0.00 55.36 55.51 3a16 s GLN 221 Cb -0.03 -0.87 0.05 0.00 -1.01 0.00 0.00 33.01 31.14 3a16 s GLN 221 CO 0.15 -0.05 -0.01 0.34 0.01 0.00 0.00 175.29 175.73 3a16 s ASP 222 N 0.82 2.82 -0.08 5.90 -1.08 0.64 -0.31 116.67 125.38 3a16 s ASP 222 Ca -0.12 -0.72 0.11 0.00 -0.52 0.00 0.00 52.55 51.31 3a16 s ASP 222 Cb -0.14 -0.74 0.21 0.00 -1.46 0.00 0.00 42.92 40.79 3a16 s ASP 222 CO 0.01 -0.25 1.13 -2.67 0.52 0.00 0.00 175.17 173.91 3a16 n TRP 223 N 4.97 0.13 -0.18 -5.34 2.14 -0.71 -0.68 117.44 117.76 3a16 n TRP 223 Ca -0.10 -0.78 0.02 0.00 2.07 0.00 0.00 57.50 58.71 3a16 n TRP 223 Cb 0.47 -0.12 0.29 0.00 -0.81 0.00 0.00 31.31 31.14 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 0.33 1.53 -0.02 -1.67 0.00 -1.87 -2.79 119.26 114.77 3a16 h ALA 224 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a16 h ALA 224 Cb 0.85 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3a16 h ALA 224 CO 0.02 0.43 -0.23 -0.25 0.00 0.00 0.00 179.25 179.22 3a16 n ASP 225 N -4.44 2.48 -4.77 0.00 8.00 -1.26 -4.96 116.55 111.61 3a16 n ASP 225 Ca 0.08 -1.74 -0.39 0.00 0.71 0.00 0.00 54.79 53.44 3a16 n ASP 225 Cb 0.06 0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.24 3.23 0.96 2.24 0.00 -1.05 -4.89 121.76 120.00 3a16 s ALA 226 Ca 0.24 1.03 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 3a16 s ALA 226 Cb 0.19 -3.40 0.21 0.00 0.00 0.00 0.00 23.12 20.12 3a16 s ALA 226 CO 0.43 -0.54 1.31 -1.21 0.00 0.00 0.00 175.76 175.75 3a16 s GLU 227 N -2.15 0.56 0.16 0.00 0.41 -1.26 -4.69 118.70 111.73 3a16 s GLU 227 Ca 0.55 -0.59 -0.18 0.00 -0.41 0.00 0.00 54.97 54.34 3a16 s GLU 227 Cb -0.33 -1.89 0.09 0.00 -1.78 0.00 0.00 34.13 30.22 3a16 s GLU 227 CO 0.42 -2.43 1.65 0.00 -0.49 0.00 0.00 175.26 174.41 3a16 h ALA 228 N -1.60 0.15 -0.06 5.21 0.00 -1.99 -0.15 119.26 120.82 3a16 h ALA 228 Ca -0.43 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 3a16 h ALA 228 Cb 1.22 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3a16 h ALA 228 CO 0.34 -0.52 -0.72 0.38 0.00 0.00 0.00 179.25 178.73 3a16 h ASP 229 N -0.08 0.36 -0.19 0.00 3.04 -1.99 -2.19 116.42 115.37 3a16 h ASP 229 Ca 0.18 -0.24 -0.13 0.00 -3.24 0.00 0.00 57.03 53.61 3a16 h ASP 229 Cb 0.36 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.55 3a16 h ASP 229 CO -0.43 0.97 -0.37 -0.08 -2.04 0.00 0.00 179.24 177.29 3a16 h GLU 230 N 0.21 0.59 -0.77 4.15 4.81 -1.85 -1.97 114.58 119.74 3a16 h GLU 230 Ca -0.03 -0.38 0.07 0.00 -0.13 0.00 0.00 59.36 58.90 3a16 h GLU 230 Cb 1.28 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.65 3a16 h GLU 230 CO 0.12 0.99 0.45 0.00 -0.73 0.00 0.00 179.01 179.84 3a16 h ARG 231 N 0.25 0.77 -0.88 1.92 3.08 -1.04 -1.00 114.38 117.49 3a16 h ARG 231 Ca 0.01 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3a16 h ARG 231 Cb 0.97 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 3a16 h ARG 231 CO 0.08 0.51 0.59 0.77 -1.07 0.00 0.00 179.97 180.85 3a16 h SER 232 N 0.80 1.01 -0.36 7.04 0.02 -1.32 -0.31 113.55 120.43 3a16 h SER 232 Ca 0.35 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.21 3a16 h SER 232 Cb 0.24 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3a16 h SER 232 CO -0.20 0.73 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.11 3a16 h LEU 233 N 1.19 0.66 -0.02 5.07 3.38 -0.48 0.27 115.31 125.38 3a16 h LEU 233 Ca 0.33 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a16 h LEU 233 Cb -0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3a16 h LEU 233 CO -0.07 0.84 0.01 0.22 0.09 0.00 0.00 178.44 179.52 3a16 h TYR 234 N 0.46 0.03 -0.22 1.13 3.20 -0.99 -1.73 116.97 118.85 3a16 h TYR 234 Ca 0.10 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 3a16 h TYR 234 Cb 0.52 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3a16 h TYR 234 CO 0.04 0.23 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.34 3a16 h LEU 235 N -0.18 0.52 0.02 2.82 3.38 -1.04 0.11 115.31 120.94 3a16 h LEU 235 Ca 0.01 -0.23 -0.32 0.00 0.09 0.00 0.00 57.88 57.43 3a16 h LEU 235 Cb 0.22 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3a16 h LEU 235 CO -0.00 0.86 -1.86 0.47 0.09 0.00 0.00 178.44 178.00 3a16 n ASP 236 N -4.03 0.97 -0.07 -0.43 8.00 0.08 -4.37 116.55 116.70 3a16 n ASP 236 Ca -0.01 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.69 3a16 n ASP 236 Cb 0.50 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 3a16 n ASP 236 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a16 n GLU 237 N -3.07 0.33 -0.10 -1.24 -0.58 -0.66 -4.71 120.64 110.61 3a16 n GLU 237 Ca -0.22 0.09 -0.21 0.00 -0.42 0.00 0.00 57.16 56.40 3a16 n GLU 237 Cb 1.06 -1.22 -0.12 0.00 -0.57 0.00 0.00 31.44 30.60 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 -0.11 1.06 -0.66 -3.67 2.04 -1.31 -3.40 117.51 111.47 3a16 h ILE 238 Ca -0.32 -2.21 0.01 0.00 1.00 0.00 0.00 64.86 63.34 3a16 h ILE 238 Cb 1.44 2.42 -0.03 0.00 -0.74 0.00 0.00 36.82 39.91 3a16 h ILE 238 CO -0.08 0.37 0.44 0.25 0.00 0.00 0.00 178.15 179.12 3a16 h LEU 239 N -0.98 0.75 -0.87 1.44 5.85 -1.01 -1.61 115.31 118.88 3a16 h LEU 239 Ca -0.29 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.48 3a16 h LEU 239 Cb 1.27 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 3a16 h LEU 239 CO -0.17 0.55 0.54 -0.65 -0.34 0.00 0.00 178.44 178.36 3a16 h PRO 240 N 0.89 0.93 -0.57 5.25 0.11 -1.80 0.38 132.00 137.19 3a16 h PRO 240 Ca 0.24 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 3a16 h PRO 240 Cb -0.10 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.77 3a16 h PRO 240 CO -0.05 0.61 0.16 1.79 -0.21 0.00 0.00 178.00 180.30 3a16 h THR 241 N 0.96 1.24 -0.36 -1.15 1.35 -1.68 -1.82 112.91 111.45 3a16 h THR 241 Ca 0.39 -0.86 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 3a16 h THR 241 Cb 0.22 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 67.33 3a16 h THR 241 CO -0.19 0.32 0.17 0.25 -0.25 0.00 0.00 175.52 175.82 3a16 h LEU 242 N 0.81 0.47 -0.62 3.87 5.85 -0.68 -2.35 115.31 122.66 3a16 h LEU 242 Ca 0.18 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3a16 h LEU 242 Cb 0.32 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3a16 h LEU 242 CO -0.00 0.46 0.35 -0.61 -0.34 0.00 0.00 178.44 178.30 3a16 h GLN 243 N 0.44 0.66 -0.45 1.25 5.75 -0.15 0.02 115.11 122.64 3a16 h GLN 243 Ca 0.12 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.61 3a16 h GLN 243 Cb 0.11 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 3a16 h GLN 243 CO -0.02 0.44 0.25 1.03 -2.65 0.00 0.00 178.83 177.88 3a16 h SER 244 N 0.68 0.38 -0.58 -0.69 0.87 -1.21 0.20 113.55 113.20 3a16 h SER 244 Ca 0.26 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 3a16 h SER 244 Cb 0.11 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3a16 h SER 244 CO -0.14 0.27 0.20 1.23 -0.53 0.00 0.00 176.83 177.86 3a16 h GLY 245 N 0.50 0.95 0.91 5.77 0.00 -0.97 -1.38 103.07 108.85 3a16 h GLY 245 Ca 0.19 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 3a16 h GLY 245 CO -0.11 0.51 0.07 -0.33 0.00 0.00 0.00 176.54 176.68 3a16 h MET 246 N 0.80 0.57 -0.66 4.80 2.07 -0.72 -1.92 114.93 119.87 3a16 h MET 246 Ca 0.19 -0.15 0.08 0.00 -2.07 0.00 0.00 59.70 57.75 3a16 h MET 246 Cb 0.25 -0.07 -0.07 0.00 -1.87 0.00 0.00 31.60 29.84 3a16 h MET 246 CO -0.01 0.63 0.32 -0.44 1.07 0.00 0.00 176.91 178.48 3a16 h ASP 247 N 0.41 0.41 0.10 1.22 3.32 -0.49 0.15 116.42 121.55 3a16 h ASP 247 Ca 0.11 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.22 3a16 h ASP 247 Cb 0.33 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3a16 h ASP 247 CO 0.00 0.25 -0.13 0.15 -1.72 0.00 0.00 179.24 177.79 3a16 h PHE 248 N 0.56 -0.34 -0.62 4.55 3.57 -1.04 -1.37 116.94 122.25 3a16 h PHE 248 Ca 0.32 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3a16 h PHE 248 Cb 0.32 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3a16 h PHE 248 CO -0.12 -0.20 0.17 -0.07 -2.23 0.00 0.00 178.31 175.86 3a16 h LEU 249 N -0.27 0.89 -1.10 0.59 3.38 -1.01 0.26 115.31 118.05 3a16 h LEU 249 Ca 0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3a16 h LEU 249 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3a16 h LEU 249 CO -0.06 0.85 0.27 -0.09 0.09 0.00 0.00 178.44 179.51 3a16 h ARG 250 N 0.92 0.90 -0.00 1.13 2.43 -0.80 -2.79 114.38 116.17 3a16 h ARG 250 Ca 0.20 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3a16 h ARG 250 Cb 0.30 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3a16 h ARG 250 CO -0.00 0.73 -0.55 -0.25 -1.51 0.00 0.00 179.97 178.38 3a16 n ASP 251 N -4.33 0.97 -0.89 -3.80 8.00 -0.53 -4.50 116.55 111.46 3a16 n ASP 251 Ca 0.06 -0.99 0.05 0.00 0.71 0.00 0.00 54.79 54.62 3a16 n ASP 251 Cb 0.15 0.82 0.10 0.00 -0.02 0.00 0.00 41.12 42.18 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 -0.94 1.28 0.07 -2.24 3.02 0.88 -4.94 115.26 112.39 3a16 n ASN 252 Ca 0.04 -2.81 -0.14 0.00 -0.03 0.00 0.00 54.58 51.64 3a16 n ASN 252 Cb 0.25 -0.38 -0.08 0.00 -0.61 0.00 0.00 39.78 38.96 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 0.77 -0.90 0.28 7.41 0.00 -1.66 -2.87 103.07 106.09 3a16 h GLY 253 Ca -0.09 0.56 0.16 0.00 0.00 0.00 0.00 47.33 47.96 3a16 h GLY 253 CO 0.04 -0.25 0.62 -2.55 0.00 0.00 0.00 176.54 174.40 3a16 h PRO 254 N -0.62 0.83 -0.06 4.80 0.11 -1.90 0.37 132.00 135.53 3a16 h PRO 254 Ca 0.03 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.10 3a16 h PRO 254 Cb 0.69 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 3a16 h PRO 254 CO -0.32 0.55 0.04 0.00 -0.21 0.00 0.00 178.00 178.06 3a16 h ALA 255 N 1.60 2.02 -0.00 -0.75 0.00 -1.89 -3.15 119.26 117.09 3a16 h ALA 255 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3a16 h ALA 255 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3a16 h ALA 255 CO -0.33 -0.03 -0.14 1.33 0.00 0.00 0.00 179.25 180.08 3a16 n VAL 256 N -4.53 0.00 -0.62 0.00 0.24 -0.56 -5.00 118.33 107.87 3a16 n VAL 256 Ca -0.02 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3a16 n VAL 256 Cb 0.12 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 0.79 1.02 3.32 7.63 0.00 -0.03 -4.76 105.19 113.16 3a16 n GLY 257 Ca 0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 8.55 0.86 -2.37 0.00 0.05 -0.57 -3.37 116.97 120.12 3a16 h TYR 259 Ca -0.25 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.43 3a16 h TYR 259 Cb 1.09 -0.27 -0.24 0.00 1.01 0.00 0.00 36.73 38.33 3a16 h TYR 259 CO 0.62 0.65 -0.13 0.45 -1.05 0.00 0.00 178.16 178.70 3a16 s SER 260 N -6.52 -0.68 -0.09 3.88 0.15 -1.13 -4.70 113.70 104.62 3a16 s SER 260 Ca -0.10 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.71 3a16 s SER 260 Cb 0.16 1.07 0.02 0.00 -1.71 0.00 0.00 66.02 65.57 3a16 s SER 260 CO 0.79 -0.21 -0.08 0.21 1.20 0.00 0.00 173.24 175.15 3a16 s ASN 261 N 1.18 1.91 -0.07 5.45 2.47 -1.26 -1.36 114.94 123.26 3a16 s ASN 261 Ca -0.07 -0.27 0.04 0.00 0.42 0.00 0.00 52.86 52.98 3a16 s ASN 261 Cb -0.06 -0.77 -0.00 0.00 -1.45 0.00 0.00 41.25 38.96 3a16 s ASN 261 CO -0.12 -0.07 -0.20 -0.13 -3.72 0.00 0.00 177.10 172.86 3a16 s ARG 262 N 1.35 2.29 -0.33 0.43 0.52 -0.22 -4.65 118.95 118.35 3a16 s ARG 262 Ca -0.02 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.48 3a16 s ARG 262 Cb -0.14 -1.86 0.07 0.00 0.52 0.00 0.00 34.95 33.55 3a16 s ARG 262 CO -0.04 0.20 0.04 0.12 0.02 0.00 0.00 175.30 175.65 3a16 s PHE 263 N 0.23 3.42 0.15 -0.53 5.36 -1.26 -0.61 117.98 124.73 3a16 s PHE 263 Ca -0.11 -2.24 0.10 0.00 -0.96 0.00 0.00 56.93 53.72 3a16 s PHE 263 Cb -0.15 -2.48 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 3a16 s PHE 263 CO 0.05 -0.88 -0.19 0.14 -1.46 0.00 0.00 175.22 172.88 3a16 s VAL 264 N 1.15 2.70 -0.07 3.12 -7.23 0.36 -4.76 120.40 115.68 3a16 s VAL 264 Ca -0.00 -1.68 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 3a16 s VAL 264 Cb -0.20 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 3a16 s VAL 264 CO -0.03 0.02 -0.23 -0.60 -0.31 0.00 0.00 175.10 173.94 3a16 s ARG 265 N -2.35 2.64 0.52 4.82 6.06 -0.29 -0.96 118.95 129.39 3a16 s ARG 265 Ca 0.19 -0.87 -0.22 0.00 -2.50 0.00 0.00 55.73 52.33 3a16 s ARG 265 Cb -0.10 -2.22 -0.06 0.00 0.06 0.00 0.00 34.95 32.64 3a16 s ARG 265 CO 0.10 0.37 1.26 -0.80 -2.50 0.00 0.00 175.30 173.73 3a16 s ASN 266 N -0.13 5.63 0.16 -2.12 -0.87 0.20 -0.84 114.94 116.96 3a16 s ASN 266 Ca -0.04 2.52 0.05 0.00 -1.57 0.00 0.00 52.86 53.82 3a16 s ASN 266 Cb -0.14 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.25 38.43 3a16 s ASN 266 CO 0.04 -1.31 -0.10 0.27 -2.57 0.00 0.00 177.10 173.44 3a16 s ILE 267 N -1.44 1.24 0.83 0.60 -4.36 0.01 -0.80 121.20 117.28 3a16 s ILE 267 Ca 0.69 -2.08 -0.11 0.00 -0.26 0.00 0.00 60.65 58.89 3a16 s ILE 267 Cb -0.34 -1.93 0.19 0.00 1.25 0.00 0.00 42.46 41.63 3a16 s ILE 267 CO 0.40 -0.68 1.14 -0.90 0.24 0.00 0.00 174.94 175.14 3a16 n ASP 268 N -0.25 0.43 0.24 4.36 5.68 -0.21 -4.39 116.55 122.41 3a16 n ASP 268 Ca -0.09 -1.62 0.16 0.00 -0.50 0.00 0.00 54.79 52.74 3a16 n ASP 268 Cb 0.61 -0.84 0.85 0.00 -1.14 0.00 0.00 41.12 40.60 3a16 n ASP 268 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3a16 h ILE 269 N -1.38 0.00 -0.03 2.12 6.09 -1.98 -1.50 117.51 120.83 3a16 h ILE 269 Ca -0.37 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3a16 h ILE 269 Cb 1.10 0.74 0.00 0.00 0.47 0.00 0.00 36.82 39.14 3a16 h ILE 269 CO 0.29 0.00 -0.08 0.47 -3.07 0.00 0.00 178.15 175.76 3a16 n ASP 270 N -2.62 2.68 0.00 2.19 8.00 -1.26 -4.85 116.55 120.68 3a16 n ASP 270 Ca -0.02 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.64 3a16 n ASP 270 Cb 0.06 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 1.26 0.72 3.75 0.44 0.00 -0.56 -5.06 105.19 105.74 3a16 n GLY 271 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.87 7.11 0.38 1.61 0.01 -1.26 -4.77 114.94 115.15 3a16 s ASN 272 Ca 0.00 2.34 -0.26 0.00 -0.71 0.00 0.00 52.86 54.23 3a16 s ASN 272 Cb 0.00 -2.62 -0.09 0.00 0.41 0.00 0.00 41.25 38.95 3a16 s ASN 272 CO 0.00 -0.30 1.18 -0.36 -1.51 0.00 0.00 177.10 176.11 3a16 s PHE 273 N -0.76 3.11 0.28 2.20 0.08 -1.26 -1.04 117.98 120.59 3a16 s PHE 273 Ca 0.48 1.55 0.09 0.00 0.12 0.00 0.00 56.93 59.18 3a16 s PHE 273 Cb -0.34 -3.41 -0.04 0.00 -0.57 0.00 0.00 43.02 38.65 3a16 s PHE 273 CO 0.42 -1.30 0.01 -0.51 -0.10 0.00 0.00 175.22 173.74 3a16 s LEU 274 N -2.32 3.18 -0.49 -0.37 1.43 0.02 -4.85 118.68 115.29 3a16 s LEU 274 Ca 0.55 -0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 3a16 s LEU 274 Cb -0.32 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3a16 s LEU 274 CO 0.40 -0.06 3.01 0.47 0.23 0.00 0.00 176.35 180.40 3a16 n ASP 275 N -0.93 6.42 -3.89 2.29 8.00 -1.26 -4.39 116.55 122.78 3a16 n ASP 275 Ca -0.06 -2.93 -0.11 0.00 0.71 0.00 0.00 54.79 52.40 3a16 n ASP 275 Cb 0.60 -1.33 -0.13 0.00 -0.02 0.00 0.00 41.12 40.24 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 -1.35 2.02 0.13 0.64 1.02 -1.26 -1.74 118.68 118.14 3a16 s LEU 276 Ca 0.62 -0.11 -0.05 0.00 0.02 0.00 0.00 54.13 54.60 3a16 s LEU 276 Cb 0.33 0.06 -0.02 0.00 0.02 0.00 0.00 46.19 46.58 3a16 s LEU 276 CO -0.13 -0.08 0.15 -0.94 0.02 0.00 0.00 176.35 175.37 3a16 s SER 277 N -0.39 0.20 0.06 2.29 1.04 0.58 -0.63 113.70 116.85 3a16 s SER 277 Ca -0.04 -0.98 -0.27 0.00 0.48 0.00 0.00 55.95 55.15 3a16 s SER 277 Cb -0.03 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.51 3a16 s SER 277 CO -0.00 -0.78 0.66 -0.72 0.98 0.00 0.00 173.24 173.38 3a16 s TYR 278 N -3.98 -0.57 0.06 5.02 1.13 -0.13 -0.48 117.35 118.40 3a16 s TYR 278 Ca 0.17 0.64 -0.25 0.00 -1.41 0.00 0.00 57.07 56.22 3a16 s TYR 278 Cb 0.06 0.50 -0.06 0.00 -1.10 0.00 0.00 41.96 41.36 3a16 s TYR 278 CO -0.02 -0.73 0.77 1.21 -2.51 0.00 0.00 175.55 174.27 3a16 s ASN 279 N -2.10 7.23 -0.28 -0.18 3.04 0.04 -0.49 114.94 122.21 3a16 s ASN 279 Ca -0.03 1.47 -0.03 0.00 0.04 0.00 0.00 52.86 54.31 3a16 s ASN 279 Cb -0.01 -2.47 0.03 0.00 -1.54 0.00 0.00 41.25 37.26 3a16 s ASN 279 CO -0.04 0.04 0.00 -0.63 -3.04 0.00 0.00 177.10 173.44 3a16 s ILE 280 N -0.21 3.23 -0.09 -5.21 1.01 0.22 -2.03 121.20 118.12 3a16 s ILE 280 Ca 0.38 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3a16 s ILE 280 Cb -0.21 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.54 3a16 s ILE 280 CO 0.23 0.03 -0.10 -0.83 0.00 0.00 0.00 174.94 174.27 3a16 s GLY 281 N 1.35 0.84 -0.24 6.18 0.00 0.26 -1.05 107.32 114.65 3a16 s GLY 281 Ca -0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 44.72 44.11 3a16 s GLY 281 CO -0.01 0.46 0.08 0.30 0.00 0.00 0.00 173.10 173.92 3a16 s HIS 282 N 1.20 3.12 0.04 1.90 3.76 -0.46 -0.22 115.29 124.62 3a16 s HIS 282 Ca -0.04 -0.27 0.09 0.00 -0.15 0.00 0.00 55.06 54.68 3a16 s HIS 282 Cb -0.14 -2.22 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 3a16 s HIS 282 CO -0.03 -0.24 -0.25 -1.58 -0.85 0.00 0.00 174.74 171.79 3a16 s TRP 283 N 1.38 2.36 0.58 1.40 0.52 0.11 0.15 118.94 125.43 3a16 s TRP 283 Ca 0.05 -0.39 0.38 0.00 0.02 0.00 0.00 56.10 56.17 3a16 s TRP 283 Cb -0.15 -1.41 2.09 0.00 -1.15 0.00 0.00 33.47 32.85 3a16 s TRP 283 CO 0.04 0.13 2.28 0.00 0.02 0.00 0.00 176.95 179.43 3a16 h ALA 284 N 4.80 1.17 -2.03 0.98 0.00 -1.11 -1.82 119.26 121.25 3a16 h ALA 284 Ca -0.46 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.46 3a16 h ALA 284 Cb 1.14 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 3a16 h ALA 284 CO 0.44 0.02 0.38 -1.54 0.00 0.00 0.00 179.25 178.55 3a16 s SER 285 N -5.57 -0.49 0.22 0.00 1.04 -1.26 -4.57 113.70 103.08 3a16 s SER 285 Ca -0.04 0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.69 3a16 s SER 285 Cb 0.13 0.43 0.19 0.00 0.10 0.00 0.00 66.02 66.88 3a16 s SER 285 CO 0.48 -0.56 1.86 0.25 0.98 0.00 0.00 173.24 176.25 3a16 h LEU 286 N 2.53 1.05 -1.02 2.42 5.85 -1.81 -2.81 115.31 121.51 3a16 h LEU 286 Ca -0.24 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 3a16 h LEU 286 Cb 1.19 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 3a16 h LEU 286 CO 0.35 0.82 0.22 -2.24 -0.34 0.00 0.00 178.44 177.24 3a16 h ASP 287 N 1.19 0.85 -0.80 1.25 2.03 -1.95 0.52 116.42 119.52 3a16 h ASP 287 Ca 0.31 -0.13 -0.02 0.00 -0.73 0.00 0.00 57.03 56.46 3a16 h ASP 287 Cb -0.03 -0.22 -0.04 0.00 -0.83 0.00 0.00 39.33 38.21 3a16 h ASP 287 CO -0.06 0.78 0.42 1.56 -1.03 0.00 0.00 179.24 180.91 3a16 h GLN 288 N 0.90 1.14 -0.71 4.15 4.20 -1.86 -0.39 115.11 122.55 3a16 h GLN 288 Ca 0.21 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3a16 h GLN 288 Cb 0.22 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3a16 h GLN 288 CO -0.01 0.86 0.40 1.25 -0.67 0.00 0.00 178.83 180.65 3a16 h LEU 289 N 1.14 0.87 -0.13 1.46 5.85 -1.13 -2.25 115.31 121.13 3a16 h LEU 289 Ca 0.28 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.94 3a16 h LEU 289 Cb 0.07 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3a16 h LEU 289 CO -0.04 0.70 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.41 3a16 h GLU 290 N 0.97 0.02 -0.15 1.25 5.08 -0.28 -1.96 114.58 119.52 3a16 h GLU 290 Ca 0.25 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3a16 h GLU 290 Cb 0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3a16 h GLU 290 CO -0.04 0.01 0.09 0.00 -1.00 0.00 0.00 179.01 178.07 3a16 h ARG 291 N 0.02 0.19 -0.19 2.33 2.47 -1.02 -1.75 114.38 116.43 3a16 h ARG 291 Ca 0.06 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.79 3a16 h ARG 291 Cb 0.08 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 3a16 h ARG 291 CO -0.12 0.14 0.06 2.35 0.56 0.00 0.00 179.97 182.97 3a16 h TRP 292 N 0.19 0.11 -0.99 3.04 7.01 -1.27 -2.40 115.95 121.64 3a16 h TRP 292 Ca 0.05 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.08 3a16 h TRP 292 Cb -0.00 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 26.98 3a16 h TRP 292 CO -0.06 0.05 0.66 0.66 -2.79 0.00 0.00 178.44 176.96 3a16 h SER 293 N 0.15 1.12 -0.04 2.65 4.64 -1.08 -1.37 113.55 119.62 3a16 h SER 293 Ca 0.08 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3a16 h SER 293 Cb 0.05 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3a16 h SER 293 CO -0.09 0.80 0.00 -1.84 -0.87 0.00 0.00 176.83 174.83 3a16 n GLU 294 N -4.40 1.78 0.00 4.77 0.28 -0.68 -4.36 120.64 118.02 3a16 n GLU 294 Ca 0.12 -1.14 0.00 0.00 -0.16 0.00 0.00 57.16 55.99 3a16 n GLU 294 Cb 0.04 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.45 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 0.38 2.56 -4.74 -1.84 3.41 -0.92 -5.02 113.62 107.45 3a16 n SER 295 Ca 0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.38 3a16 n SER 295 Cb 0.39 0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.51 3.45 0.38 7.33 2.46 -0.53 -4.92 115.29 121.94 3a16 s HIS 296 Ca 0.00 1.49 0.05 0.00 0.47 0.00 0.00 55.06 57.07 3a16 s HIS 296 Cb 0.00 -3.40 0.74 0.00 -0.13 0.00 0.00 32.58 29.79 3a16 s HIS 296 CO 0.00 -1.05 2.02 -1.35 -2.47 0.00 0.00 174.74 171.88 3a16 h PRO 297 N 4.84 0.65 0.10 2.88 0.11 -1.95 -1.21 132.00 137.43 3a16 h PRO 297 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3a16 h PRO 297 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3a16 h PRO 297 CO 0.72 0.46 -0.14 1.79 -0.21 0.00 0.00 178.00 180.62 3a16 h THR 298 N 0.67 0.00 -0.64 -1.15 1.35 -1.91 -0.70 112.91 110.54 3a16 h THR 298 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.03 3a16 h THR 298 Cb -0.03 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.36 3a16 h THR 298 CO -0.03 0.00 0.37 -0.74 -0.25 0.00 0.00 175.52 174.87 3a16 h HIS 299 N -0.25 0.85 -0.68 4.73 -0.00 -1.84 -2.67 115.15 115.29 3a16 h HIS 299 Ca -0.01 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 3a16 h HIS 299 Cb 0.23 -0.28 -0.04 0.00 -0.00 0.00 0.00 27.41 27.32 3a16 h HIS 299 CO -0.20 0.59 0.45 -0.07 -0.00 0.00 0.00 177.93 178.70 3a16 h LEU 300 N 0.86 0.67 -0.42 0.26 3.38 -1.14 0.65 115.31 119.57 3a16 h LEU 300 Ca 0.23 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 3a16 h LEU 300 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3a16 h LEU 300 CO -0.04 0.46 -0.20 -0.09 0.09 0.00 0.00 178.44 178.66 3a16 h ARG 301 N 0.78 0.87 -0.69 1.13 2.43 -0.79 -0.72 114.38 117.39 3a16 h ARG 301 Ca 0.28 -0.38 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3a16 h ARG 301 Cb 0.13 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3a16 h ARG 301 CO -0.08 1.02 0.30 -0.84 -1.51 0.00 0.00 179.97 178.87 3a16 h ILE 302 N 0.69 1.24 -0.05 1.20 3.07 -0.88 -2.11 117.51 120.66 3a16 h ILE 302 Ca 0.09 -0.70 0.03 0.00 1.55 0.00 0.00 64.86 65.84 3a16 h ILE 302 Cb 0.76 0.42 -0.04 0.00 -0.27 0.00 0.00 36.82 37.70 3a16 h ILE 302 CO 0.06 0.28 -0.15 0.15 -1.05 0.00 0.00 178.15 177.44 3a16 h PHE 303 N 0.96 -0.39 -0.28 0.16 3.57 0.45 -1.85 116.94 119.57 3a16 h PHE 303 Ca 0.23 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 3a16 h PHE 303 Cb 0.16 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3a16 h PHE 303 CO 0.01 -0.22 -0.10 0.00 -2.23 0.00 0.00 178.31 175.77 3a16 h THR 304 N -0.23 1.22 -0.18 4.41 1.03 -1.03 -2.62 112.91 115.51 3a16 h THR 304 Ca 0.07 -0.94 -0.01 0.00 -0.01 0.00 0.00 66.41 65.52 3a16 h THR 304 Cb 0.32 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.51 3a16 h THR 304 CO -0.18 0.31 0.08 0.74 -0.01 0.00 0.00 175.52 176.45 3a16 h THR 305 N 0.43 1.14 0.01 0.00 2.02 -0.95 -2.64 112.91 112.92 3a16 h THR 305 Ca 0.08 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.87 3a16 h THR 305 Cb 0.44 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3a16 h THR 305 CO 0.02 0.14 -0.19 0.15 0.37 0.00 0.00 175.52 176.01 3a16 h PHE 306 N 0.15 -0.49 -1.12 3.16 3.57 -1.15 -1.40 116.94 119.65 3a16 h PHE 306 Ca 0.06 0.02 0.31 0.00 3.53 0.00 0.00 57.97 61.89 3a16 h PHE 306 Cb 0.14 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 3a16 h PHE 306 CO -0.02 -0.27 0.77 0.74 -2.23 0.00 0.00 178.31 177.30 3a16 h PHE 307 N -0.31 0.30 0.04 0.41 -1.00 -1.36 1.21 116.94 116.23 3a16 h PHE 307 Ca 0.05 0.01 -0.25 0.00 2.81 0.00 0.00 57.97 60.59 3a16 h PHE 307 Cb 0.38 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 3a16 h PHE 307 CO -0.23 0.01 -1.29 -0.09 -1.61 0.00 0.00 178.31 175.10 3a16 h ARG 308 N 0.17 0.08 0.02 1.51 2.43 -0.92 -3.39 114.38 114.28 3a16 h ARG 308 Ca 0.59 -0.14 -0.35 0.00 -0.81 0.00 0.00 59.98 59.27 3a16 h ARG 308 Cb 1.94 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 31.50 3a16 h ARG 308 CO -0.15 0.94 -1.97 1.33 -1.51 0.00 0.00 179.97 178.61 3a16 n VAL 309 N -3.32 1.57 0.00 0.20 0.24 0.08 -4.53 118.33 112.57 3a16 n VAL 309 Ca -0.08 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3a16 n VAL 309 Cb 0.99 -1.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 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 -3.57 0.00 -0.05 2.33 0.00 0.40 0.22 120.51 119.84 3a16 n ALA 310 Ca -0.41 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 3a16 n ALA 310 Cb 0.86 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.27 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 0.00 0.26 0.00 0.00 0.00 -1.82 -3.12 119.26 114.59 3a16 h ALA 311 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3a16 h ALA 311 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3a16 h ALA 311 CO 0.00 -0.21 -0.48 0.41 0.00 0.00 0.00 179.25 178.97 3a16 n GLY 312 N -0.96 -1.48 3.67 0.00 0.00 0.60 -4.91 105.19 102.10 3a16 n GLY 312 Ca -0.03 -0.20 -0.52 0.00 0.00 0.00 0.00 46.02 45.27 3a16 n GLY 312 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a16 n LEU 313 N -2.14 2.64 -0.00 0.99 4.77 -1.15 -4.85 117.00 117.26 3a16 n LEU 313 Ca 0.04 1.06 -0.00 0.00 -0.03 0.00 0.00 56.01 57.07 3a16 n LEU 313 Cb 0.44 -1.26 -0.00 0.00 -2.33 0.00 0.00 43.42 40.26 3a16 n LEU 313 CO 0.35 -0.43 -0.51 -1.54 -1.33 0.00 0.00 177.39 173.93 3a16 n SER 314 N 4.79 4.05 0.00 -1.43 3.41 -1.26 -4.94 113.62 118.24 3a16 n SER 314 Ca 0.22 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3a16 n SER 314 Cb 0.22 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.47 1.35 -1.46 4.33 5.02 -1.26 -5.05 118.16 118.62 3a16 n LYS 315 Ca -0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3a16 n LYS 315 Cb 0.50 -0.82 0.05 0.00 -0.02 0.00 0.00 35.03 34.74 3a16 n LYS 315 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3a16 n LEU 316 N -1.79 1.54 -3.71 -0.35 7.94 -1.26 -4.57 117.00 114.80 3a16 n LEU 316 Ca 0.00 0.72 -0.26 0.00 -1.11 0.00 0.00 56.01 55.36 3a16 n LEU 316 Cb 0.32 -1.24 -0.17 0.00 0.53 0.00 0.00 43.42 42.87 3a16 n LEU 316 CO 0.00 -2.77 -0.36 -0.13 -1.11 0.00 0.00 177.39 173.02 3a16 s ARG 317 N -2.41 0.46 -0.01 1.96 0.52 0.14 -4.97 118.95 114.64 3a16 s ARG 317 Ca 0.70 -0.17 0.08 0.00 -0.52 0.00 0.00 55.73 55.81 3a16 s ARG 317 Cb -0.42 -1.70 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 3a16 s ARG 317 CO 0.53 -0.55 -0.24 -0.51 0.02 0.00 0.00 175.30 174.54 3a16 s LEU 318 N 1.97 2.06 0.20 2.53 1.43 -1.26 -0.26 118.68 125.35 3a16 s LEU 318 Ca 0.01 -0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 3a16 s LEU 318 Cb -0.15 -1.24 0.05 0.00 0.03 0.00 0.00 46.19 44.88 3a16 s LEU 318 CO -0.07 0.29 0.76 -0.72 0.23 0.00 0.00 176.35 176.83 3a16 s TYR 319 N -0.60 -0.27 0.13 0.29 1.13 -1.12 -1.17 117.35 115.74 3a16 s TYR 319 Ca 0.09 -0.06 -0.09 0.00 -1.41 0.00 0.00 57.07 55.60 3a16 s TYR 319 Cb -0.09 0.64 -0.00 0.00 -1.10 0.00 0.00 41.96 41.41 3a16 s TYR 319 CO -0.00 -1.00 0.25 -3.38 -2.51 0.00 0.00 175.55 168.91 3a16 s HIS 320 N -3.67 0.28 -0.02 -3.49 -3.43 -0.03 -1.04 115.29 103.88 3a16 s HIS 320 Ca 0.08 -0.66 0.04 0.00 -0.80 0.00 0.00 55.06 53.72 3a16 s HIS 320 Cb -0.03 -0.05 -0.01 0.00 -1.43 0.00 0.00 32.58 31.06 3a16 s HIS 320 CO -0.00 -0.65 -0.15 -1.83 -2.00 0.00 0.00 174.74 170.12 3a16 s GLU 321 N -3.92 1.32 -0.04 -0.38 -1.05 0.06 -1.12 118.70 113.58 3a16 s GLU 321 Ca 0.12 -0.51 0.03 0.00 -0.15 0.00 0.00 54.97 54.45 3a16 s GLU 321 Cb 0.04 -1.22 0.01 0.00 -0.44 0.00 0.00 34.13 32.51 3a16 s GLU 321 CO -0.05 0.27 -0.10 0.08 0.95 0.00 0.00 175.26 176.41 3a16 s VAL 322 N -0.16 0.89 0.09 1.83 1.01 -0.08 -1.09 120.40 122.89 3a16 s VAL 322 Ca 0.02 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.67 3a16 s VAL 322 Cb -0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 3a16 s VAL 322 CO 0.00 0.28 -0.17 -0.44 0.00 0.00 0.00 175.10 174.77 3a16 s SER 323 N 0.31 2.09 0.18 3.32 0.01 0.18 -0.88 113.70 118.91 3a16 s SER 323 Ca -0.06 -0.65 0.09 0.00 1.31 0.00 0.00 55.95 56.64 3a16 s SER 323 Cb -0.11 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 3a16 s SER 323 CO 0.01 -0.01 -0.19 0.68 0.41 0.00 0.00 173.24 174.14 3a16 s VAL 324 N -1.24 1.93 -0.00 3.43 -7.23 -0.45 -0.20 120.40 116.63 3a16 s VAL 324 Ca 0.02 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 3a16 s VAL 324 Cb -0.10 -1.92 -0.00 0.00 0.56 0.00 0.00 36.38 34.92 3a16 s VAL 324 CO 0.03 -0.30 -0.05 -0.36 -0.31 0.00 0.00 175.10 174.11 3a16 s PHE 325 N -2.06 0.44 0.55 2.82 0.08 -0.93 -4.66 117.98 114.22 3a16 s PHE 325 Ca 0.17 -0.08 -0.19 0.00 0.12 0.00 0.00 56.93 56.95 3a16 s PHE 325 Cb -0.06 -0.28 -0.09 0.00 -0.57 0.00 0.00 43.02 42.02 3a16 s PHE 325 CO 0.07 -0.01 0.60 -0.25 -0.10 0.00 0.00 175.22 175.53 3a16 n ASP 326 N 2.95 -0.72 -0.30 1.36 8.00 -1.26 -0.40 116.55 126.19 3a16 n ASP 326 Ca -0.13 0.78 0.12 0.00 0.71 0.00 0.00 54.79 56.27 3a16 n ASP 326 Cb 0.58 -1.20 0.29 0.00 -0.02 0.00 0.00 41.12 40.78 3a16 n ASP 326 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a16 h ALA 327 N 0.40 1.36 0.00 2.24 0.00 -1.88 -2.24 119.26 119.14 3a16 h ALA 327 Ca -0.45 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3a16 h ALA 327 Cb 1.39 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3a16 h ALA 327 CO 0.48 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3a16 h ALA 328 N 1.71 1.00 -0.77 0.00 0.00 -1.90 -3.34 119.26 115.96 3a16 h ALA 328 Ca 0.54 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.99 3a16 h ALA 328 Cb 1.03 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.59 3a16 h ALA 328 CO -0.54 0.00 0.59 -0.25 0.00 0.00 0.00 179.25 179.05 3a16 n ASP 329 N -2.64 5.39 -3.81 0.00 8.00 -0.84 -4.88 116.55 117.76 3a16 n ASP 329 Ca 0.04 -3.35 -0.12 0.00 0.71 0.00 0.00 54.79 52.06 3a16 n ASP 329 Cb 0.40 -0.89 -0.11 0.00 -0.02 0.00 0.00 41.12 40.50 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 0.32 -0.13 -1.24 -0.21 -1.25 -1.20 119.66 113.22 3a16 s GLN 330 Ca 0.47 0.12 -0.09 0.00 0.02 0.00 0.00 55.36 55.87 3a16 s GLN 330 Cb 0.38 0.15 0.04 0.00 1.00 0.00 0.00 33.01 34.58 3a16 s GLN 330 CO 0.04 -0.06 0.32 -1.17 -2.12 0.00 0.00 175.29 172.30 3a16 s LEU 331 N -0.29 0.51 -0.24 2.90 2.96 -0.13 -4.52 118.68 119.87 3a16 s LEU 331 Ca -0.04 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 3a16 s LEU 331 Cb -0.03 1.07 0.06 0.00 0.50 0.00 0.00 46.19 47.80 3a16 s LEU 331 CO 0.01 -0.14 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.55 3a16 s TYR 332 N 0.68 2.34 -0.06 5.38 2.02 -0.80 -0.76 117.35 126.14 3a16 s TYR 332 Ca -0.04 -1.75 0.04 0.00 -0.37 0.00 0.00 57.07 54.95 3a16 s TYR 332 Cb -0.05 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3a16 s TYR 332 CO -0.04 -0.78 -0.17 -1.21 -1.57 0.00 0.00 175.55 171.78 3a16 s GLU 333 N 1.41 2.58 0.01 -0.62 2.02 0.16 -0.10 118.70 124.16 3a16 s GLU 333 Ca -0.04 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.23 3a16 s GLU 333 Cb -0.19 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 31.69 3a16 s GLU 333 CO -0.07 0.53 -0.11 0.71 0.02 0.00 0.00 175.26 176.33 3a16 s TYR 334 N -0.49 1.00 -0.13 1.61 1.51 0.99 -0.99 117.35 120.84 3a16 s TYR 334 Ca 0.06 -0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 3a16 s TYR 334 Cb -0.12 -0.63 0.04 0.00 -0.11 0.00 0.00 41.96 41.15 3a16 s TYR 334 CO 0.01 -0.01 -0.00 0.42 -1.11 0.00 0.00 175.55 174.86 3a16 s ILE 335 N -0.45 0.61 -1.45 2.71 1.01 0.11 -0.69 121.20 123.04 3a16 s ILE 335 Ca 0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 3a16 s ILE 335 Cb -0.05 -0.88 0.06 0.00 0.01 0.00 0.00 42.46 41.60 3a16 s ILE 335 CO 0.00 0.09 0.77 0.59 0.00 0.00 0.00 174.94 176.38 3a16 n ASN 336 N 5.05 -4.97 -4.93 3.58 3.02 -0.36 -0.44 115.26 116.22 3a16 n ASN 336 Ca -0.09 -0.52 -0.27 0.00 -0.03 0.00 0.00 54.58 53.67 3a16 n ASN 336 Cb 0.49 -4.00 -0.03 0.00 -0.61 0.00 0.00 39.78 35.63 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 -2.00 2.49 -0.01 0.00 -3.43 -1.26 -4.80 115.29 106.27 3a16 s HIS 338 Ca 0.40 1.55 0.26 0.00 -0.80 0.00 0.00 55.06 56.47 3a16 s HIS 338 Cb -0.11 -3.31 1.42 0.00 -1.43 0.00 0.00 32.58 29.15 3a16 s HIS 338 CO 0.30 -1.92 1.79 -1.35 -2.00 0.00 0.00 174.74 171.57 3a16 h PRO 339 N 0.45 0.00 -0.09 -0.38 0.11 -1.96 -1.68 132.00 128.45 3a16 h PRO 339 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3a16 h PRO 339 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3a16 h PRO 339 CO 0.54 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.74 3a16 n GLY 340 N -1.25 0.39 3.67 -0.55 0.00 -1.26 -2.65 105.19 103.54 3a16 n GLY 340 Ca -0.02 -0.51 -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 -1.90 3.71 0.00 2.61 2.01 -0.64 -4.31 115.64 117.12 3a16 s THR 341 Ca 0.35 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.31 3a16 s THR 341 Cb 0.20 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 69.09 3a16 s THR 341 CO 0.31 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 3a16 n GLY 342 N 3.88 3.32 0.00 4.40 0.00 -1.26 -0.87 105.19 114.65 3a16 n GLY 342 Ca 0.15 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.47 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 0.51 0.07 1.61 2.81 -1.26 -3.64 117.12 131.22 3a16 n MET 343 Ca 0.00 0.01 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 3a16 n MET 343 Cb 0.00 -1.50 0.10 0.00 -0.71 0.00 0.00 33.22 31.11 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 0.00 0.35 -0.03 4.03 3.38 -1.26 -2.82 115.31 118.96 3a16 h LEU 344 Ca 0.00 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3a16 h LEU 344 Cb 0.23 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3a16 h LEU 344 CO 0.00 0.88 -0.10 -0.09 0.09 0.00 0.00 178.44 179.21 3a16 h ARG 345 N 0.22 -0.15 0.00 1.13 2.43 -1.57 -3.32 114.38 113.12 3a16 h ARG 345 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a16 h ARG 345 Cb 1.14 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3a16 h ARG 345 CO 0.10 -0.10 -1.03 -0.25 -1.51 0.00 0.00 179.97 177.18 3a16 n ASP 346 N -5.23 0.85 -4.72 -3.80 8.00 -1.24 -4.98 116.55 105.42 3a16 n ASP 346 Ca -0.05 -0.83 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 3a16 n ASP 346 Cb 0.16 1.11 -0.00 0.00 -0.02 0.00 0.00 41.12 42.37 3a16 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a16 n ALA 347 N -1.54 1.58 -2.54 2.24 0.00 -1.06 -4.91 120.51 114.27 3a16 n ALA 347 Ca 0.03 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 3a16 n ALA 347 Cb 0.32 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 3a16 n ALA 347 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a16 s VAL 348 N -1.13 4.39 0.80 0.00 -7.23 0.25 -4.78 120.40 112.71 3a16 s VAL 348 Ca 0.56 1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 62.33 3a16 s VAL 348 Cb -0.53 -4.10 0.07 0.00 0.56 0.00 0.00 36.38 32.39 3a16 s VAL 348 CO 0.62 0.12 1.12 0.42 -0.31 0.00 0.00 175.10 177.07 3a16 s THR 349 N 1.14 2.76 0.31 5.32 -4.23 -1.26 -0.77 115.64 118.90 3a16 s THR 349 Ca 0.56 0.25 0.04 0.00 -1.18 0.00 0.00 61.69 61.35 3a16 s THR 349 Cb -0.26 -3.09 0.10 0.00 1.34 0.00 0.00 72.50 70.60 3a16 s THR 349 CO 0.28 -0.32 1.79 0.40 -0.54 0.00 0.00 174.62 176.23 3a16 h ILE 350 N -1.08 1.24 -0.19 2.99 2.04 -1.86 -2.17 117.51 118.48 3a16 h ILE 350 Ca -0.47 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.24 3a16 h ILE 350 Cb 1.29 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3a16 h ILE 350 CO 0.62 0.35 -0.17 0.00 0.00 0.00 0.00 178.15 178.94 3a16 h ALA 351 N 1.41 0.27 -0.46 1.87 0.00 -1.96 -3.33 119.26 117.06 3a16 h ALA 351 Ca 0.07 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 54.78 3a16 h ALA 351 Cb 0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3a16 h ALA 351 CO 0.03 0.18 0.43 0.93 0.00 0.00 0.00 179.25 180.82 3a16 h GLU 352 N 0.11 0.00 0.00 0.00 5.08 -1.75 -3.55 114.58 114.47 3a16 h GLU 352 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3a16 h GLU 352 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3a16 h GLU 352 CO 0.04 0.00 0.00 -2.39 -1.00 0.00 0.00 179.01 175.66