#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a16 s GLU 2 N 0.00 3.43 0.07 0.03 2.02 -1.23 -4.84 118.70 118.19 3a16 s GLU 2 Ca 0.00 1.41 -0.10 0.00 0.02 0.00 0.00 54.97 56.30 3a16 s GLU 2 Cb 0.00 -2.04 -0.06 0.00 0.10 0.00 0.00 34.13 32.14 3a16 s GLU 2 CO 0.00 -0.75 0.40 0.45 0.02 0.00 0.00 175.26 175.38 3a16 s SER 3 N -2.16 6.65 0.53 -0.19 0.15 -1.26 -1.56 113.70 115.86 3a16 s SER 3 Ca 0.68 0.80 0.23 0.00 0.70 0.00 0.00 55.95 58.36 3a16 s SER 3 Cb -0.19 -2.18 1.39 0.00 -1.71 0.00 0.00 66.02 63.33 3a16 s SER 3 CO 0.28 0.19 2.05 0.00 1.20 0.00 0.00 173.24 176.96 3a16 h ALA 4 N 3.81 2.30 -2.28 5.45 0.00 -1.93 -3.41 119.26 123.20 3a16 h ALA 4 Ca -0.49 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 3a16 h ALA 4 Cb 1.20 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 3a16 h ALA 4 CO 0.66 -0.45 0.52 0.42 0.00 0.00 0.00 179.25 180.40 3a16 s ILE 5 N -4.98 4.81 0.40 0.00 1.01 -1.26 -4.97 121.20 116.21 3a16 s ILE 5 Ca -0.05 1.75 -0.25 0.00 0.00 0.00 0.00 60.65 62.10 3a16 s ILE 5 Cb 0.18 -4.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.36 3a16 s ILE 5 CO 0.69 -0.05 1.14 0.61 0.00 0.00 0.00 174.94 177.33 3a16 n GLY 6 N 3.46 0.15 0.31 6.18 0.00 -1.26 -4.76 105.19 109.27 3a16 n GLY 6 Ca 0.07 0.20 0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 1.89 -0.03 0.00 1.61 4.81 -1.92 0.39 114.58 121.32 3a16 h GLU 7 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3a16 h GLU 7 Cb 1.32 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3a16 h GLU 7 CO 0.59 -0.02 0.00 1.12 -0.73 0.00 0.00 179.01 179.97 3a16 h HIS 8 N -0.03 0.00 -0.02 0.92 2.07 -1.93 -2.50 115.15 113.67 3a16 h HIS 8 Ca 0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.87 3a16 h HIS 8 Cb 0.58 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 3a16 h HIS 8 CO -0.65 0.00 -0.32 1.28 -3.07 0.00 0.00 177.93 175.17 3a16 n LEU 9 N -2.69 2.09 -4.76 6.12 4.77 0.07 -4.91 117.00 117.69 3a16 n LEU 9 Ca 0.02 -0.74 -0.40 0.00 -0.03 0.00 0.00 56.01 54.86 3a16 n LEU 9 Cb 0.28 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 3a16 n LEU 9 CO 0.24 0.38 0.84 -1.10 -1.33 0.00 0.00 177.39 176.42 3a16 s GLN 10 N -2.35 4.45 0.18 3.23 -0.21 -0.83 -4.92 119.66 119.21 3a16 s GLN 10 Ca 0.22 1.90 -0.13 0.00 0.02 0.00 0.00 55.36 57.37 3a16 s GLN 10 Cb 0.19 -3.04 0.01 0.00 1.00 0.00 0.00 33.01 31.16 3a16 s GLN 10 CO 0.49 0.01 0.39 0.00 -2.12 0.00 0.00 175.29 174.07 3a16 n PRO 12 N -0.27 1.82 -2.89 0.00 -0.02 -1.26 -4.93 135.00 127.46 3a16 n PRO 12 Ca -0.09 0.66 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 3a16 n PRO 12 Cb 0.63 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.16 4.42 -0.05 -0.52 0.52 -1.26 -4.90 118.95 118.31 3a16 s ARG 13 Ca 0.82 1.15 0.04 0.00 -0.52 0.00 0.00 55.73 57.22 3a16 s ARG 13 Cb -0.77 -2.72 -0.06 0.00 0.52 0.00 0.00 34.95 31.92 3a16 s ARG 13 CO 0.43 0.26 -0.00 0.25 0.02 0.00 0.00 175.30 176.26 3a16 n THR 14 N 0.40 0.35 -4.61 0.02 -2.24 0.01 -5.02 114.28 103.19 3a16 n THR 14 Ca 0.02 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 3a16 n THR 14 Cb 0.51 -0.83 -0.12 0.00 -2.10 0.00 0.00 70.33 67.79 3a16 n THR 14 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a16 s LEU 15 N -4.61 2.73 0.33 3.22 1.43 -0.50 -4.99 118.68 116.30 3a16 s LEU 15 Ca -0.04 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 52.78 3a16 s LEU 15 Cb 0.02 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 3a16 s LEU 15 CO 0.19 0.26 0.09 0.42 0.23 0.00 0.00 176.35 177.54 3a16 s THR 16 N -0.94 2.95 0.92 5.49 -4.23 -1.26 -4.65 115.64 113.91 3a16 s THR 16 Ca 0.15 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 58.74 3a16 s THR 16 Cb -0.11 -2.91 0.14 0.00 1.34 0.00 0.00 72.50 70.97 3a16 s THR 16 CO 0.06 -0.21 1.14 -0.13 -0.54 0.00 0.00 174.62 174.94 3a16 s ARG 17 N -3.79 1.06 0.00 3.99 0.52 -1.26 -4.99 118.95 114.48 3a16 s ARG 17 Ca 0.36 0.27 0.20 0.00 -0.52 0.00 0.00 55.73 56.04 3a16 s ARG 17 Cb -0.02 -1.83 0.19 0.00 0.52 0.00 0.00 34.95 33.81 3a16 s ARG 17 CO 0.21 -2.24 1.15 2.89 0.02 0.00 0.00 175.30 177.33 3a16 n ARG 18 N -3.79 1.83 -4.85 3.54 1.85 -1.26 -4.91 116.66 109.06 3a16 n ARG 18 Ca 0.07 -1.75 -0.31 0.00 -1.00 0.00 0.00 57.85 54.86 3a16 n ARG 18 Cb 0.59 -1.39 -0.14 0.00 -1.05 0.00 0.00 32.46 30.48 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 -1.57 2.46 0.86 8.89 -7.23 -1.26 -5.14 120.40 117.41 3a16 s VAL 19 Ca 0.25 -1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 59.07 3a16 s VAL 19 Cb 0.17 -1.98 0.11 0.00 0.56 0.00 0.00 36.38 35.24 3a16 s VAL 19 CO 0.25 0.39 1.09 -2.16 -0.31 0.00 0.00 175.10 174.36 3a16 s PRO 20 N -1.22 1.55 0.00 4.82 0.04 -1.26 -4.91 135.00 134.02 3a16 s PRO 20 Ca 0.13 0.99 0.17 0.00 0.04 0.00 0.00 61.00 62.33 3a16 s PRO 20 Cb -0.10 -1.83 0.97 0.00 0.04 0.00 0.00 34.50 33.58 3a16 s PRO 20 CO 0.03 -2.09 1.44 -0.25 0.04 0.00 0.00 177.00 176.17 3a16 n ASP 21 N -3.80 0.00 0.03 6.66 8.00 -1.26 -1.82 116.55 124.35 3a16 n ASP 21 Ca 0.08 -0.36 0.13 0.00 0.71 0.00 0.00 54.79 55.35 3a16 n ASP 21 Cb 0.54 -0.09 0.42 0.00 -0.02 0.00 0.00 41.12 41.97 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 -1.09 0.15 -1.59 -3.53 -2.24 -1.26 -4.94 114.28 99.78 3a16 n THR 22 Ca 0.11 -0.09 -0.51 0.00 -2.27 0.00 0.00 64.05 61.30 3a16 n THR 22 Cb 0.08 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.71 1.46 -4.34 4.78 9.36 -0.76 -5.00 117.16 120.95 3a16 n TYR 23 Ca 0.06 0.64 -0.27 0.00 3.32 0.00 0.00 57.90 61.65 3a16 n TYR 23 Cb 0.37 -2.32 -0.17 0.00 -0.63 0.00 0.00 39.34 36.59 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 0.25 1.30 0.61 2.97 2.01 -1.26 -5.05 115.64 116.47 3a16 s THR 24 Ca 0.80 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 3a16 s THR 24 Cb -0.91 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3a16 s THR 24 CO 0.49 0.40 1.21 -2.16 -0.69 0.00 0.00 174.62 173.87 3a16 s PRO 25 N 1.10 2.87 0.14 4.92 0.04 -1.26 -4.95 135.00 137.86 3a16 s PRO 25 Ca -0.05 1.81 0.26 0.00 0.04 0.00 0.00 61.00 63.06 3a16 s PRO 25 Cb -0.14 -1.92 0.95 0.00 0.04 0.00 0.00 34.50 33.42 3a16 s PRO 25 CO -0.02 -1.28 1.80 -0.35 0.04 0.00 0.00 177.00 177.19 3a16 n PRO 26 N -1.74 0.17 -3.73 0.56 -0.04 -1.26 -4.85 135.00 124.10 3a16 n PRO 26 Ca 0.14 0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 3a16 n PRO 26 Cb 0.50 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.09 -0.07 0.24 0.54 -0.12 -1.26 -5.07 117.98 109.15 3a16 s PHE 27 Ca 0.11 -0.24 -0.30 0.00 -0.05 0.00 0.00 56.93 56.45 3a16 s PHE 27 Cb 0.14 0.12 -0.09 0.00 -0.63 0.00 0.00 43.02 42.56 3a16 s PHE 27 CO 0.54 -0.60 1.11 -1.25 -0.05 0.00 0.00 175.22 174.97 3a16 s PRO 28 N -3.50 4.61 0.06 1.99 0.04 -1.26 -5.02 135.00 131.92 3a16 s PRO 28 Ca 0.02 1.78 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 3a16 s PRO 28 Cb 0.02 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 3a16 s PRO 28 CO -0.09 0.13 0.01 -1.64 0.04 0.00 0.00 177.00 175.45 3a16 s MET 29 N -0.95 0.67 0.13 4.56 -1.94 -1.26 -4.88 119.30 115.62 3a16 s MET 29 Ca 0.47 -1.19 0.04 0.00 -1.71 0.00 0.00 55.69 53.30 3a16 s MET 29 Cb -0.31 0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.72 3a16 s MET 29 CO 0.38 -0.14 -0.10 -1.58 -0.01 0.00 0.00 175.02 173.57 3a16 s TRP 30 N -3.92 1.18 0.15 -0.03 0.51 -0.26 -1.68 118.94 114.90 3a16 s TRP 30 Ca 0.08 -0.74 0.06 0.00 -2.12 0.00 0.00 56.10 53.38 3a16 s TRP 30 Cb 0.07 -0.62 -0.04 0.00 -0.81 0.00 0.00 33.47 32.07 3a16 s TRP 30 CO -0.09 0.04 -0.13 0.14 -0.51 0.00 0.00 176.95 176.40 3a16 s VAL 31 N -3.05 1.38 0.37 4.03 -7.23 -1.26 0.38 120.40 115.01 3a16 s VAL 31 Ca 0.13 -1.99 -0.26 0.00 -1.81 0.00 0.00 61.98 58.05 3a16 s VAL 31 Cb 0.01 -1.79 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 3a16 s VAL 31 CO -0.00 -0.60 1.17 -0.83 -0.31 0.00 0.00 175.10 174.53 3a16 s GLY 32 N -2.97 2.91 -0.03 2.32 0.00 -1.26 -1.16 107.32 107.13 3a16 s GLY 32 Ca 0.16 0.98 0.05 0.00 0.00 0.00 0.00 44.72 45.91 3a16 s GLY 32 CO 0.03 1.52 -0.17 0.50 0.00 0.00 0.00 173.10 174.98 3a16 s ARG 33 N -2.12 2.37 -0.05 2.90 1.81 0.12 -4.81 118.95 119.18 3a16 s ARG 33 Ca 0.54 -0.77 -0.14 0.00 -1.72 0.00 0.00 55.73 53.64 3a16 s ARG 33 Cb -0.32 -2.29 0.03 0.00 -0.45 0.00 0.00 34.95 31.93 3a16 s ARG 33 CO 0.40 0.60 0.32 0.00 -0.68 0.00 0.00 175.30 175.94 3a16 s ALA 34 N -0.73 -0.80 0.91 2.13 0.00 -1.26 -0.05 121.76 121.95 3a16 s ALA 34 Ca 0.11 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3a16 s ALA 34 Cb -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3a16 s ALA 34 CO 0.01 -0.23 0.00 -0.40 0.00 0.00 0.00 175.76 175.14 3a16 n ASP 35 N 1.79 0.00 0.00 0.00 5.68 -1.26 -4.94 116.55 117.82 3a16 n ASP 35 Ca -0.19 -0.73 0.11 0.00 -0.50 0.00 0.00 54.79 53.48 3a16 n ASP 35 Cb 0.56 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.18 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 -2.19 0.00 0.10 -1.12 5.68 -1.26 -2.88 116.55 114.88 3a16 n ASP 36 Ca 0.00 -0.48 -0.05 0.00 -0.50 0.00 0.00 54.79 53.76 3a16 n ASP 36 Cb 0.00 -0.10 0.07 0.00 -1.14 0.00 0.00 41.12 39.95 3a16 n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a16 h ALA 37 N 3.30 0.74 -1.64 2.12 0.00 -2.01 -3.38 119.26 118.39 3a16 h ALA 37 Ca 0.00 -0.64 -0.64 0.00 0.00 0.00 0.00 54.91 53.63 3a16 h ALA 37 Cb 0.07 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 17.62 3a16 h ALA 37 CO 0.00 0.85 0.89 -1.17 0.00 0.00 0.00 179.25 179.82 3a16 s LEU 38 N -7.55 4.39 -0.21 0.00 2.96 -1.14 -4.81 118.68 112.32 3a16 s LEU 38 Ca -0.02 -1.46 -0.08 0.00 -0.22 0.00 0.00 54.13 52.34 3a16 s LEU 38 Cb 0.11 -2.45 -0.19 0.00 0.50 0.00 0.00 46.19 44.16 3a16 s LEU 38 CO 0.80 -1.33 0.00 0.00 -1.32 0.00 0.00 176.35 174.50 3a16 n GLN 39 N 7.60 0.66 -3.67 1.98 6.02 -1.26 -4.62 117.38 124.09 3a16 n GLN 39 Ca 0.15 0.29 -0.08 0.00 -0.01 0.00 0.00 57.00 57.35 3a16 n GLN 39 Cb 0.48 -1.61 -0.09 0.00 1.02 0.00 0.00 30.24 30.04 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 -2.50 0.44 0.33 -1.09 0.74 -1.26 -0.42 119.66 115.90 3a16 s GLN 40 Ca -0.31 1.03 0.05 0.00 0.05 0.00 0.00 55.36 56.18 3a16 s GLN 40 Cb 0.09 0.24 -0.02 0.00 1.10 0.00 0.00 33.01 34.42 3a16 s GLN 40 CO 0.63 -0.19 0.47 0.14 -0.55 0.00 0.00 175.29 175.79 3a16 s VAL 41 N 2.05 4.43 -0.11 1.34 -7.23 -0.65 -3.57 120.40 116.67 3a16 s VAL 41 Ca -0.06 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 3a16 s VAL 41 Cb -0.10 -3.56 0.01 0.00 0.56 0.00 0.00 36.38 33.29 3a16 s VAL 41 CO -0.15 -0.25 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.53 3a16 s VAL 42 N -2.18 1.66 -0.29 1.32 1.01 -0.75 -3.15 120.40 118.01 3a16 s VAL 42 Ca 0.42 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3a16 s VAL 42 Cb -0.09 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.81 3a16 s VAL 42 CO 0.32 0.47 0.07 -0.04 0.00 0.00 0.00 175.10 175.92 3a16 s MET 43 N 0.80 3.09 -0.27 2.72 -1.94 0.33 -0.88 119.30 123.14 3a16 s MET 43 Ca -0.10 -0.85 0.02 0.00 -1.71 0.00 0.00 55.69 53.05 3a16 s MET 43 Cb -0.16 -3.33 0.06 0.00 2.01 0.00 0.00 34.83 33.41 3a16 s MET 43 CO 0.01 -0.43 -0.08 0.20 -0.01 0.00 0.00 175.02 174.72 3a16 s GLY 44 N 1.49 1.69 -0.41 -0.03 0.00 -0.08 -1.33 107.32 108.65 3a16 s GLY 44 Ca 0.02 -1.79 -0.18 0.00 0.00 0.00 0.00 44.72 42.78 3a16 s GLY 44 CO 0.02 0.64 0.46 -0.19 0.00 0.00 0.00 173.10 174.03 3a16 s TYR 45 N 1.13 3.16 -0.26 1.90 1.51 -0.37 -0.91 117.35 123.51 3a16 s TYR 45 Ca -0.08 -0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 55.72 3a16 s TYR 45 Cb -0.20 -2.93 0.02 0.00 -0.11 0.00 0.00 41.96 38.73 3a16 s TYR 45 CO -0.04 -0.68 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.20 3a16 s LEU 46 N 2.24 3.36 0.22 -1.29 1.02 0.28 -0.75 118.68 123.76 3a16 s LEU 46 Ca 0.14 -0.75 0.11 0.00 0.02 0.00 0.00 54.13 53.65 3a16 s LEU 46 Cb -0.16 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.26 3a16 s LEU 46 CO 0.14 -0.13 -0.15 -0.83 0.02 0.00 0.00 176.35 175.40 3a16 s GLY 47 N 1.40 1.75 -0.07 -3.19 0.00 0.04 -1.09 107.32 106.16 3a16 s GLY 47 Ca 0.02 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.09 3a16 s GLY 47 CO -0.02 -1.70 -0.07 0.14 0.00 0.00 0.00 173.10 171.45 3a16 s VAL 48 N -1.99 0.79 -0.01 1.40 1.01 0.82 -1.80 120.40 120.61 3a16 s VAL 48 Ca 0.26 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.09 3a16 s VAL 48 Cb -0.07 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3a16 s VAL 48 CO 0.14 0.30 -0.23 -1.58 0.00 0.00 0.00 175.10 173.73 3a16 s GLN 49 N 1.19 2.15 0.15 2.72 0.74 0.12 -0.69 119.66 126.03 3a16 s GLN 49 Ca -0.06 -0.91 -0.22 0.00 0.05 0.00 0.00 55.36 54.23 3a16 s GLN 49 Cb -0.14 -2.11 0.06 0.00 1.10 0.00 0.00 33.01 31.92 3a16 s GLN 49 CO -0.02 0.57 0.56 -0.59 -0.55 0.00 0.00 175.29 175.26 3a16 s PHE 50 N -0.68 -0.47 -0.02 1.67 -0.71 -0.55 -0.48 117.98 116.74 3a16 s PHE 50 Ca 0.11 0.26 0.00 0.00 -1.04 0.00 0.00 56.93 56.27 3a16 s PHE 50 Cb -0.10 0.49 -0.01 0.00 -1.21 0.00 0.00 43.02 42.19 3a16 s PHE 50 CO 0.00 -0.81 -0.01 -2.13 -1.34 0.00 0.00 175.22 170.93 3a16 n ARG 51 N -0.30 0.53 -3.29 1.99 0.63 -1.26 0.01 116.66 114.97 3a16 n ARG 51 Ca -0.17 0.01 -0.39 0.00 -0.92 0.00 0.00 57.85 56.39 3a16 n ARG 51 Cb 0.64 -1.04 -0.06 0.00 0.45 0.00 0.00 32.46 32.46 3a16 n ARG 51 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3a16 s ASP 52 N -4.06 7.03 0.46 6.15 1.01 -1.26 -4.84 116.67 121.17 3a16 s ASP 52 Ca -0.02 1.23 0.11 0.00 0.71 0.00 0.00 52.55 54.58 3a16 s ASP 52 Cb 0.01 -2.35 1.06 0.00 1.01 0.00 0.00 42.92 42.64 3a16 s ASP 52 CO 0.05 0.27 2.10 -0.33 0.21 0.00 0.00 175.17 177.47 3a16 h GLU 53 N 4.63 0.28 0.00 8.23 4.39 -2.02 -0.23 114.58 129.87 3a16 h GLU 53 Ca -0.50 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3a16 h GLU 53 Cb 1.21 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3a16 h GLU 53 CO 0.64 0.19 0.00 -0.40 -1.16 0.00 0.00 179.01 178.27 3a16 n ASP 54 N -4.50 0.25 0.02 1.42 5.68 -1.26 -1.41 116.55 116.74 3a16 n ASP 54 Ca 0.00 0.60 0.12 0.00 -0.50 0.00 0.00 54.79 55.01 3a16 n ASP 54 Cb 0.08 -0.63 0.16 0.00 -1.14 0.00 0.00 41.12 39.59 3a16 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a16 n GLN 55 N -1.81 0.13 -0.13 0.11 6.02 -0.10 -4.50 117.38 117.11 3a16 n GLN 55 Ca 0.01 0.02 -0.05 0.00 -0.01 0.00 0.00 57.00 56.97 3a16 n GLN 55 Cb 0.07 -1.56 0.03 0.00 1.02 0.00 0.00 30.24 29.80 3a16 n GLN 55 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3a16 h ARG 56 N 0.00 0.29 -0.31 -1.09 2.43 -1.32 -0.04 114.38 114.35 3a16 h ARG 56 Ca 0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3a16 h ARG 56 Cb 0.61 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3a16 h ARG 56 CO 0.00 0.19 0.19 -1.35 -1.51 0.00 0.00 179.97 177.50 3a16 h PRO 57 N 0.30 0.38 -0.85 0.20 0.11 -1.79 -0.38 132.00 129.98 3a16 h PRO 57 Ca 0.19 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3a16 h PRO 57 Cb 0.19 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 3a16 h PRO 57 CO -0.20 0.25 0.48 0.00 -0.21 0.00 0.00 178.00 178.32 3a16 h ALA 58 N 1.12 1.25 -0.36 -0.75 0.00 -1.77 -1.09 119.26 117.67 3a16 h ALA 58 Ca 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3a16 h ALA 58 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3a16 h ALA 58 CO -0.04 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 3a16 h ALA 59 N 1.35 0.48 -0.76 0.00 0.00 -0.72 -1.39 119.26 118.22 3a16 h ALA 59 Ca 0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3a16 h ALA 59 Cb -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3a16 h ALA 59 CO -0.05 0.27 0.28 -0.07 0.00 0.00 0.00 179.25 179.68 3a16 h LEU 60 N 0.45 1.06 -0.66 0.00 3.38 -0.87 -1.29 115.31 117.38 3a16 h LEU 60 Ca 0.10 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3a16 h LEU 60 Cb 0.50 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3a16 h LEU 60 CO 0.02 0.95 0.21 -0.61 0.09 0.00 0.00 178.44 179.11 3a16 h GLN 61 N 1.11 1.02 -0.20 1.13 5.75 -1.08 -0.45 115.11 122.39 3a16 h GLN 61 Ca 0.25 -0.22 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3a16 h GLN 61 Cb 0.24 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 3a16 h GLN 61 CO -0.02 0.89 0.02 0.00 -2.65 0.00 0.00 178.83 177.07 3a16 h ALA 62 N 1.08 0.19 -0.86 3.38 0.00 -0.92 0.49 119.26 122.62 3a16 h ALA 62 Ca 0.21 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.25 3a16 h ALA 62 Cb 0.29 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3a16 h ALA 62 CO -0.01 -0.41 0.51 1.98 0.00 0.00 0.00 179.25 181.33 3a16 h MET 63 N 0.10 0.86 -0.60 0.00 1.85 -0.94 -0.88 114.93 115.32 3a16 h MET 63 Ca 0.09 -0.05 -0.08 0.00 -0.61 0.00 0.00 59.70 59.05 3a16 h MET 63 Cb 0.10 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 31.91 3a16 h MET 63 CO -0.14 0.57 0.08 0.00 -0.40 0.00 0.00 176.91 177.02 3a16 h ARG 64 N 0.88 1.01 -0.88 0.39 3.08 -0.52 -1.23 114.38 117.10 3a16 h ARG 64 Ca 0.40 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3a16 h ARG 64 Cb 0.31 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3a16 h ARG 64 CO -0.22 0.96 0.49 -0.44 -1.07 0.00 0.00 179.97 179.68 3a16 h ASP 65 N 0.91 1.10 -0.22 7.04 3.32 -0.44 -0.19 116.42 127.94 3a16 h ASP 65 Ca 0.18 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3a16 h ASP 65 Cb 0.45 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3a16 h ASP 65 CO 0.02 0.88 0.08 0.40 -1.72 0.00 0.00 179.24 178.90 3a16 h ILE 66 N 1.23 1.18 -0.55 0.35 2.04 -0.93 -2.41 117.51 118.43 3a16 h ILE 66 Ca 0.31 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 3a16 h ILE 66 Cb 0.02 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3a16 h ILE 66 CO -0.05 0.19 0.09 0.58 0.00 0.00 0.00 178.15 178.95 3a16 h VAL 67 N 0.20 1.24 -0.54 1.67 2.07 -1.00 -2.30 116.25 117.58 3a16 h VAL 67 Ca 0.07 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 3a16 h VAL 67 Cb 0.22 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3a16 h VAL 67 CO -0.00 0.34 0.27 0.00 0.02 0.00 0.00 177.57 178.20 3a16 h ALA 68 N 1.26 1.47 0.00 1.67 0.00 -0.96 -1.77 119.26 120.92 3a16 h ALA 68 Ca 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3a16 h ALA 68 Cb 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3a16 h ALA 68 CO 0.01 0.43 -0.16 0.78 0.00 0.00 0.00 179.25 180.31 3a16 h GLY 69 N 0.84 0.00 2.00 0.00 0.00 -0.89 -2.81 103.07 102.21 3a16 h GLY 69 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3a16 h GLY 69 CO -0.03 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.25 3a16 h PHE 70 N 0.00 0.00 0.00 5.60 -1.00 -1.08 -2.69 116.94 117.77 3a16 h PHE 70 Ca -0.00 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.59 3a16 h PHE 70 Cb 0.44 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 3a16 h PHE 70 CO 0.00 0.00 -0.94 -0.44 -1.61 0.00 0.00 178.31 175.32 3a16 h ASP 71 N 0.00 0.00 -3.75 2.17 5.19 -1.56 -3.35 116.42 115.13 3a16 h ASP 71 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 3a16 h ASP 71 Cb 0.38 0.00 0.20 0.00 0.18 0.00 0.00 39.33 40.10 3a16 h ASP 71 CO 0.00 0.84 -0.20 0.18 -3.12 0.00 0.00 179.24 176.94 3a16 n LEU 72 N -3.27 1.57 -4.56 1.55 4.77 -1.02 -4.78 117.00 111.27 3a16 n LEU 72 Ca -0.01 0.42 -0.47 0.00 -0.03 0.00 0.00 56.01 55.92 3a16 n LEU 72 Cb 0.89 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 3a16 n LEU 72 CO 0.45 -2.88 0.56 -2.65 -1.33 0.00 0.00 177.39 171.54 3a16 n PRO 73 N -2.55 1.11 -1.13 3.23 -0.02 -1.26 -1.00 135.00 133.38 3a16 n PRO 73 Ca 0.10 0.39 -0.04 0.00 -2.02 0.00 0.00 63.50 61.92 3a16 n PRO 73 Cb 0.52 -1.77 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.63 -4.43 -4.56 2.55 8.00 -1.26 -4.69 116.55 113.79 3a16 n ASP 74 Ca 0.13 0.11 -0.29 0.00 0.71 0.00 0.00 54.79 55.44 3a16 n ASP 74 Cb 0.28 -2.32 0.22 0.00 -0.02 0.00 0.00 41.12 39.28 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 -2.36 1.59 0.58 0.44 0.00 -0.17 -4.47 107.32 102.94 3a16 s GLY 75 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 44.72 44.63 3a16 s GLY 75 CO 0.00 0.70 1.12 2.56 0.00 0.00 0.00 173.10 177.49 3a16 s PRO 76 N -4.56 3.17 0.38 2.90 0.04 -1.26 -4.92 135.00 130.75 3a16 s PRO 76 Ca 0.68 1.54 0.15 0.00 0.04 0.00 0.00 61.00 63.41 3a16 s PRO 76 Cb -0.24 -1.99 0.76 0.00 0.04 0.00 0.00 34.50 33.08 3a16 s PRO 76 CO 0.62 -0.98 1.81 0.00 0.04 0.00 0.00 177.00 178.49 3a16 h ALA 77 N 0.80 1.25 -2.65 8.56 0.00 -1.22 -3.45 119.26 122.55 3a16 h ALA 77 Ca -0.49 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 53.95 3a16 h ALA 77 Cb 1.26 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.79 3a16 h ALA 77 CO 0.56 0.46 -0.42 -1.58 0.00 0.00 0.00 179.25 178.27 3a16 s HIS 78 N -4.01 -0.00 0.10 0.00 5.65 -1.17 -4.99 115.29 110.86 3a16 s HIS 78 Ca -0.02 -0.09 -0.19 0.00 0.25 0.00 0.00 55.06 55.02 3a16 s HIS 78 Cb 0.13 -0.01 0.04 0.00 -1.18 0.00 0.00 32.58 31.56 3a16 s HIS 78 CO 0.70 -0.34 0.45 -3.38 -0.65 0.00 0.00 174.74 171.52 3a16 s HIS 79 N -1.66 -0.30 0.13 3.88 -0.00 -1.26 -1.16 115.29 114.92 3a16 s HIS 79 Ca -0.12 0.13 -0.07 0.00 -0.00 0.00 0.00 55.06 54.99 3a16 s HIS 79 Cb -0.06 0.31 -0.01 0.00 -0.00 0.00 0.00 32.58 32.82 3a16 s HIS 79 CO 0.01 -0.68 0.21 0.16 -0.00 0.00 0.00 174.74 174.44 3a16 s ASP 80 N -2.47 0.12 -0.06 7.38 1.47 -0.70 -4.99 116.67 117.42 3a16 s ASP 80 Ca -0.01 -0.87 0.05 0.00 1.18 0.00 0.00 52.55 52.90 3a16 s ASP 80 Cb 0.00 0.38 -0.02 0.00 -0.34 0.00 0.00 42.92 42.95 3a16 s ASP 80 CO -0.08 -0.81 -0.21 -0.76 0.68 0.00 0.00 175.17 173.99 3a16 s LEU 81 N -2.95 2.32 0.08 2.11 1.43 -1.26 -1.27 118.68 119.13 3a16 s LEU 81 Ca 0.15 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3a16 s LEU 81 Cb 0.05 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 3a16 s LEU 81 CO -0.03 0.28 -0.05 0.42 0.23 0.00 0.00 176.35 177.19 3a16 s THR 82 N -0.33 0.51 0.02 5.49 -4.23 0.15 -0.57 115.64 116.67 3a16 s THR 82 Ca 0.02 -1.82 0.06 0.00 -1.18 0.00 0.00 61.69 58.76 3a16 s THR 82 Cb -0.13 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 3a16 s THR 82 CO 0.02 -0.89 -0.17 -2.28 -0.54 0.00 0.00 174.62 170.76 3a16 s HIS 83 N -3.57 1.52 0.03 3.99 5.04 0.14 -0.96 115.29 121.49 3a16 s HIS 83 Ca 0.08 -0.33 -0.22 0.00 -1.54 0.00 0.00 55.06 53.05 3a16 s HIS 83 Cb 0.05 -0.94 0.05 0.00 0.04 0.00 0.00 32.58 31.79 3a16 s HIS 83 CO -0.06 0.03 0.50 -3.38 -2.34 0.00 0.00 174.74 169.49 3a16 s HIS 84 N -0.65 -0.41 -0.21 3.88 -3.43 -0.76 -1.10 115.29 112.61 3a16 s HIS 84 Ca 0.05 0.49 -0.08 0.00 -0.80 0.00 0.00 55.06 54.72 3a16 s HIS 84 Cb -0.08 0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 31.34 3a16 s HIS 84 CO 0.01 -0.61 0.09 0.42 -2.00 0.00 0.00 174.74 172.65 3a16 s ILE 85 N -2.23 4.81 0.92 -5.38 1.01 -1.26 -0.40 121.20 118.67 3a16 s ILE 85 Ca -0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 3a16 s ILE 85 Cb -0.01 -3.21 0.19 0.00 0.01 0.00 0.00 42.46 39.44 3a16 s ILE 85 CO -0.00 0.40 1.26 1.51 0.00 0.00 0.00 174.94 178.11 3a16 s ASP 86 N 0.84 3.36 0.00 3.58 1.47 -0.21 -4.92 116.67 120.79 3a16 s ASP 86 Ca 0.05 0.16 0.20 0.00 1.18 0.00 0.00 52.55 54.13 3a16 s ASP 86 Cb -0.13 -0.27 1.19 0.00 -0.34 0.00 0.00 42.92 43.37 3a16 s ASP 86 CO 0.02 -2.56 1.60 -0.46 0.68 0.00 0.00 175.17 174.45 3a16 n ASN 87 N -3.59 0.00 -0.77 2.11 0.23 -1.26 -1.61 115.26 110.37 3a16 n ASN 87 Ca 0.15 -0.79 0.10 0.00 -0.53 0.00 0.00 54.58 53.51 3a16 n ASN 87 Cb 0.60 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.37 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 -0.94 1.82 -0.74 -3.83 1.13 -1.26 -4.98 117.38 108.58 3a16 n GLN 88 Ca 0.15 -1.62 0.00 0.00 -1.94 0.00 0.00 57.00 53.59 3a16 n GLN 88 Cb 0.07 -1.40 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 1.19 0.65 3.76 1.08 0.00 -0.63 -5.04 105.19 106.20 3a16 n GLY 89 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.11 3.87 0.19 1.61 1.51 -1.26 -4.83 117.35 116.32 3a16 s TYR 90 Ca 0.00 1.62 -0.18 0.00 -1.01 0.00 0.00 57.07 57.50 3a16 s TYR 90 Cb 0.00 -2.81 -0.08 0.00 -0.11 0.00 0.00 41.96 38.97 3a16 s TYR 90 CO 0.00 0.44 0.66 -1.21 -1.11 0.00 0.00 175.55 174.32 3a16 s GLU 91 N -0.81 4.16 -0.08 -0.62 2.02 0.10 -1.05 118.70 122.42 3a16 s GLU 91 Ca 0.37 0.74 -0.01 0.00 0.02 0.00 0.00 54.97 56.10 3a16 s GLU 91 Cb -0.23 -2.93 0.03 0.00 0.10 0.00 0.00 34.13 31.10 3a16 s GLU 91 CO 0.26 0.44 -0.03 -0.80 0.02 0.00 0.00 175.26 175.15 3a16 s ASN 92 N -1.63 1.75 -0.24 -0.19 0.01 0.47 -1.49 114.94 113.63 3a16 s ASN 92 Ca 0.40 -0.17 -0.13 0.00 -0.71 0.00 0.00 52.86 52.25 3a16 s ASN 92 Cb -0.16 -0.59 -0.04 0.00 0.41 0.00 0.00 41.25 40.86 3a16 s ASN 92 CO 0.20 -0.15 0.28 -0.76 -1.51 0.00 0.00 177.10 175.16 3a16 s LEU 93 N 1.76 4.10 -0.13 0.60 1.43 0.13 -1.83 118.68 124.75 3a16 s LEU 93 Ca 0.03 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3a16 s LEU 93 Cb -0.13 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.82 3a16 s LEU 93 CO -0.06 -0.04 -0.12 -0.63 0.23 0.00 0.00 176.35 175.74 3a16 s ILE 94 N 1.39 1.34 -0.25 -0.59 1.01 -0.13 -0.13 121.20 123.84 3a16 s ILE 94 Ca 0.12 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 3a16 s ILE 94 Cb -0.15 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 3a16 s ILE 94 CO 0.07 0.42 0.25 -0.69 0.00 0.00 0.00 174.94 174.99 3a16 s VAL 95 N 1.45 5.28 -0.22 2.92 1.01 -0.25 -0.68 120.40 129.91 3a16 s VAL 95 Ca 0.02 0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 3a16 s VAL 95 Cb -0.13 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3a16 s VAL 95 CO -0.08 0.26 0.10 0.54 0.00 0.00 0.00 175.10 175.92 3a16 s VAL 96 N 1.54 4.87 0.01 2.92 0.11 -0.40 -0.56 120.40 128.90 3a16 s VAL 96 Ca 0.11 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.21 3a16 s VAL 96 Cb -0.15 -3.24 -0.03 0.00 -1.53 0.00 0.00 36.38 31.43 3a16 s VAL 96 CO 0.08 0.39 -0.10 -0.83 -3.33 0.00 0.00 175.10 171.31 3a16 s GLY 97 N 0.91 1.69 -0.15 6.54 0.00 -0.09 -1.73 107.32 114.50 3a16 s GLY 97 Ca 0.05 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.72 3a16 s GLY 97 CO 0.03 -0.94 -0.21 -0.19 0.00 0.00 0.00 173.10 171.79 3a16 s TYR 98 N -0.97 2.70 0.05 1.90 1.51 -0.31 -0.90 117.35 121.33 3a16 s TYR 98 Ca 0.16 -1.42 0.03 0.00 -1.01 0.00 0.00 57.07 54.83 3a16 s TYR 98 Cb -0.11 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 3a16 s TYR 98 CO 0.07 -0.66 0.04 -1.58 -1.11 0.00 0.00 175.55 172.30 3a16 s TRP 99 N 0.95 3.12 -1.84 2.71 0.51 -0.06 -0.59 118.94 123.74 3a16 s TRP 99 Ca -0.04 0.07 0.28 0.00 -2.12 0.00 0.00 56.10 54.29 3a16 s TRP 99 Cb -0.15 -1.63 1.05 0.00 -0.81 0.00 0.00 33.47 31.94 3a16 s TRP 99 CO -0.05 0.50 1.75 1.63 -0.51 0.00 0.00 176.95 180.27 3a16 n LYS 100 N 0.82 0.91 -3.57 4.98 5.02 -1.26 -1.82 118.16 123.25 3a16 n LYS 100 Ca -0.11 -0.44 -0.11 0.00 -2.02 0.00 0.00 58.31 55.63 3a16 n LYS 100 Cb 0.52 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.39 -0.39 0.11 4.39 -4.77 -1.23 -4.57 116.67 107.82 3a16 s ASP 101 Ca 0.29 -0.22 -0.11 0.00 -3.30 0.00 0.00 52.55 49.21 3a16 s ASP 101 Cb 0.20 0.56 -0.13 0.00 -1.09 0.00 0.00 42.92 42.45 3a16 s ASP 101 CO 0.46 -0.96 1.31 0.58 0.70 0.00 0.00 175.17 177.26 3a16 h VAL 102 N 2.16 1.29 -0.69 2.11 2.07 -1.89 -3.27 116.25 118.03 3a16 h VAL 102 Ca -0.32 -2.04 -0.05 0.00 0.82 0.00 0.00 66.70 65.10 3a16 h VAL 102 Cb 1.28 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 3a16 h VAL 102 CO 0.40 0.64 0.22 0.77 0.02 0.00 0.00 177.57 179.62 3a16 h SER 103 N 0.49 0.99 -0.21 0.57 4.64 -1.97 -1.47 113.55 116.58 3a16 h SER 103 Ca -0.06 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3a16 h SER 103 Cb 1.43 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3a16 h SER 103 CO 0.16 0.92 0.10 0.77 -0.87 0.00 0.00 176.83 177.91 3a16 h SER 104 N 1.02 0.28 -0.59 4.97 4.64 -1.93 0.15 113.55 122.09 3a16 h SER 104 Ca 0.23 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 3a16 h SER 104 Cb 0.28 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 3a16 h SER 104 CO -0.01 0.33 0.18 -0.61 -0.87 0.00 0.00 176.83 175.85 3a16 h GLN 105 N 0.20 0.95 -0.33 4.77 -0.00 -1.55 0.18 115.11 119.34 3a16 h GLN 105 Ca 0.07 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.65 58.51 3a16 h GLN 105 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.45 3a16 h GLN 105 CO -0.01 0.83 0.14 1.25 0.00 0.00 0.00 178.83 181.04 3a16 h HIS 106 N 0.92 0.49 -0.45 3.99 2.76 -1.10 0.12 115.15 121.88 3a16 h HIS 106 Ca 0.20 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 3a16 h HIS 106 Cb 0.29 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 3a16 h HIS 106 CO 0.02 0.46 0.12 0.00 -1.30 0.00 0.00 177.93 177.23 3a16 h ARG 107 N 0.38 0.67 0.18 5.26 3.08 -0.66 -1.58 114.38 121.71 3a16 h ARG 107 Ca 0.11 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3a16 h ARG 107 Cb 0.17 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3a16 h ARG 107 CO -0.01 0.60 -0.08 2.35 -1.07 0.00 0.00 179.97 181.76 3a16 h TRP 108 N 0.66 -0.22 -0.06 3.04 7.01 -0.67 -2.65 115.95 123.05 3a16 h TRP 108 Ca 0.15 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 3a16 h TRP 108 Cb 0.23 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 3a16 h TRP 108 CO 0.01 0.06 -0.15 0.77 -2.79 0.00 0.00 178.44 176.34 3a16 h SER 109 N -0.49 0.09 0.48 2.65 0.02 -0.59 -2.77 113.55 112.93 3a16 h SER 109 Ca -0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3a16 h SER 109 Cb 0.38 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3a16 h SER 109 CO 0.04 0.25 -0.59 0.35 -1.14 0.00 0.00 176.83 175.75 3a16 n THR 110 N -4.31 0.03 -2.06 -2.27 -2.24 -0.61 -3.36 114.28 99.46 3a16 n THR 110 Ca -0.02 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 3a16 n THR 110 Cb 0.25 0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 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 -3.14 6.43 0.20 3.42 1.04 -1.00 -4.73 113.70 115.93 3a16 s SER 111 Ca 0.10 2.67 -0.13 0.00 0.48 0.00 0.00 55.95 59.07 3a16 s SER 111 Cb 0.17 -2.64 0.23 0.00 0.10 0.00 0.00 66.02 63.87 3a16 s SER 111 CO 0.72 -0.77 1.66 0.74 0.98 0.00 0.00 173.24 176.57 3a16 h THR 112 N 2.63 0.49 -0.95 2.02 2.02 -1.90 0.79 112.91 118.01 3a16 h THR 112 Ca -0.49 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 66.69 3a16 h THR 112 Cb 1.24 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 3a16 h THR 112 CO 0.63 0.01 0.63 -0.65 0.37 0.00 0.00 175.52 176.51 3a16 h PRO 113 N 0.06 1.22 0.01 6.66 0.11 -1.93 0.59 132.00 138.73 3a16 h PRO 113 Ca 0.28 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 3a16 h PRO 113 Cb 0.44 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.28 3a16 h PRO 113 CO -0.52 0.81 -0.01 0.82 -0.21 0.00 0.00 178.00 178.88 3a16 h ILE 114 N 1.25 1.51 -0.54 4.15 1.08 -1.61 -3.12 117.51 120.25 3a16 h ILE 114 Ca 0.36 -1.74 -0.09 0.00 -0.39 0.00 0.00 64.86 63.00 3a16 h ILE 114 Cb -0.08 2.66 -0.02 0.00 -3.07 0.00 0.00 36.82 36.31 3a16 h ILE 114 CO -0.09 0.44 -0.03 0.00 -0.69 0.00 0.00 178.15 177.77 3a16 h ALA 115 N 0.15 0.73 -0.18 1.87 0.00 -0.77 -2.17 119.26 118.89 3a16 h ALA 115 Ca -0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3a16 h ALA 115 Cb 0.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3a16 h ALA 115 CO 0.00 0.58 -0.24 0.66 0.00 0.00 0.00 179.25 180.25 3a16 h SER 116 N 0.84 0.31 0.12 0.00 4.64 -1.03 -1.27 113.55 117.16 3a16 h SER 116 Ca 0.15 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3a16 h SER 116 Cb 0.58 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3a16 h SER 116 CO 0.03 0.56 -0.06 -0.25 -0.87 0.00 0.00 176.83 176.24 3a16 h TRP 117 N 0.29 -0.15 -0.13 4.77 7.01 -1.42 -1.63 115.95 124.68 3a16 h TRP 117 Ca 0.05 -0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.95 3a16 h TRP 117 Cb 0.58 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 3a16 h TRP 117 CO 0.01 0.13 -0.33 2.35 -2.79 0.00 0.00 178.44 177.81 3a16 h TRP 118 N -0.44 0.28 -0.01 2.65 2.91 -1.33 -2.86 115.95 117.16 3a16 h TRP 118 Ca -0.02 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.94 3a16 h TRP 118 Cb 0.36 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.94 3a16 h TRP 118 CO 0.02 0.56 -0.17 0.39 -1.03 0.00 0.00 178.44 178.21 3a16 n GLU 119 N -4.09 0.88 -1.85 2.65 1.02 -0.49 -4.93 120.64 113.83 3a16 n GLU 119 Ca -0.01 -0.44 -0.38 0.00 -0.02 0.00 0.00 57.16 56.31 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 -2.42 5.49 0.57 1.62 0.15 -0.62 -4.90 113.70 113.59 3a16 s SER 120 Ca 0.28 2.73 0.32 0.00 0.70 0.00 0.00 55.95 59.98 3a16 s SER 120 Cb 0.20 -2.63 1.73 0.00 -1.71 0.00 0.00 66.02 63.60 3a16 s SER 120 CO 0.48 -1.42 2.16 -0.33 1.20 0.00 0.00 173.24 175.34 3a16 h GLU 121 N 1.69 0.00 0.00 5.44 3.07 -1.90 -2.57 114.58 120.31 3a16 h GLU 121 Ca -0.51 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.33 3a16 h GLU 121 Cb 1.29 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3a16 h GLU 121 CO 0.58 0.06 -0.09 -0.44 -1.40 0.00 0.00 179.01 177.72 3a16 h ASP 122 N 0.00 0.00 -0.23 1.42 5.19 -1.92 -2.70 116.42 118.18 3a16 h ASP 122 Ca -0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3a16 h ASP 122 Cb 0.22 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 3a16 h ASP 122 CO 0.01 0.09 0.03 0.03 -3.12 0.00 0.00 179.24 176.28 3a16 h ARG 123 N 0.00 0.50 0.00 3.56 2.47 -1.75 0.30 114.38 119.45 3a16 h ARG 123 Ca -0.00 -0.09 -0.18 0.00 -1.26 0.00 0.00 59.98 58.44 3a16 h ARG 123 Cb 0.19 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 3a16 h ARG 123 CO 0.01 0.50 -1.11 -0.07 0.56 0.00 0.00 179.97 179.87 3a16 h LEU 124 N 0.48 0.00 0.00 3.04 3.38 -1.67 -3.37 115.31 117.17 3a16 h LEU 124 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3a16 h LEU 124 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3a16 h LEU 124 CO 0.00 0.74 -1.35 -1.54 0.09 0.00 0.00 178.44 176.38 3a16 n SER 125 N -3.13 0.60 -0.23 -0.43 3.41 -1.05 -4.15 113.62 108.63 3a16 n SER 125 Ca -0.05 0.24 0.13 0.00 -0.26 0.00 0.00 58.87 58.92 3a16 n SER 125 Cb 0.88 0.85 0.42 0.00 -0.26 0.00 0.00 64.21 66.10 3a16 n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3a16 h ASP 126 N 0.00 0.57 0.00 4.04 3.32 -0.57 -3.46 116.42 120.31 3a16 h ASP 126 Ca -0.03 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a16 h ASP 126 Cb 1.09 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3a16 h ASP 126 CO 0.01 0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.42 3a16 n GLY 127 N -1.46 1.78 3.91 2.75 0.00 -1.26 -5.04 105.19 105.87 3a16 n GLY 127 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 3.65 0.17 0.99 1.43 -1.26 -5.00 118.68 118.66 3a16 s LEU 128 Ca 0.00 0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 53.81 3a16 s LEU 128 Cb 0.00 -3.79 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 3a16 s LEU 128 CO 0.00 -0.58 0.56 -0.83 0.23 0.00 0.00 176.35 175.74 3a16 s GLY 129 N -4.11 2.43 -0.00 -3.19 0.00 0.37 -4.69 107.32 98.12 3a16 s GLY 129 Ca 0.47 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 45.08 3a16 s GLY 129 CO 0.44 0.12 -0.10 -1.36 0.00 0.00 0.00 173.10 172.20 3a16 s PHE 130 N -1.54 0.87 0.04 1.90 0.08 0.21 0.12 117.98 119.65 3a16 s PHE 130 Ca 0.40 -0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.24 3a16 s PHE 130 Cb -0.14 -0.55 -0.03 0.00 -0.57 0.00 0.00 43.02 41.73 3a16 s PHE 130 CO 0.19 -0.01 0.00 -0.59 -0.10 0.00 0.00 175.22 174.71 3a16 s PHE 131 N -0.32 0.40 -0.15 0.36 -0.12 -0.75 -0.34 117.98 117.07 3a16 s PHE 131 Ca 0.03 -0.85 -0.03 0.00 -0.05 0.00 0.00 56.93 56.03 3a16 s PHE 131 Cb -0.04 -0.29 0.05 0.00 -0.63 0.00 0.00 43.02 42.10 3a16 s PHE 131 CO -0.00 -0.35 0.04 1.03 -0.05 0.00 0.00 175.22 175.89 3a16 s ARG 132 N -3.22 0.46 -0.39 1.99 0.52 -0.10 -0.78 118.95 117.42 3a16 s ARG 132 Ca 0.00 -0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 3a16 s ARG 132 Cb 0.03 -1.65 0.11 0.00 0.52 0.00 0.00 34.95 33.95 3a16 s ARG 132 CO -0.07 -0.54 0.15 -1.21 0.02 0.00 0.00 175.30 173.64 3a16 s GLU 133 N 1.97 1.79 -0.18 3.54 2.02 0.07 -0.60 118.70 127.32 3a16 s GLU 133 Ca 0.02 -1.90 0.01 0.00 0.02 0.00 0.00 54.97 53.12 3a16 s GLU 133 Cb -0.15 -3.42 0.02 0.00 0.10 0.00 0.00 34.13 30.68 3a16 s GLU 133 CO -0.07 -1.02 -0.20 0.42 0.02 0.00 0.00 175.26 174.41 3a16 s ILE 134 N 0.95 2.04 0.01 -1.63 1.01 0.15 -1.24 121.20 122.49 3a16 s ILE 134 Ca 0.10 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.86 3a16 s ILE 134 Cb -0.21 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 3a16 s ILE 134 CO -0.06 0.53 -0.12 0.68 0.00 0.00 0.00 174.94 175.98 3a16 s VAL 135 N 1.30 0.95 -0.57 2.92 -7.23 -0.44 -0.76 120.40 116.57 3a16 s VAL 135 Ca 0.05 -0.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.59 3a16 s VAL 135 Cb -0.13 -0.83 0.18 0.00 0.56 0.00 0.00 36.38 36.16 3a16 s VAL 135 CO -0.13 0.15 0.46 0.00 -0.31 0.00 0.00 175.10 175.27 3a16 n ALA 136 N 2.45 3.21 -1.77 1.32 0.00 -0.01 -0.52 120.51 125.19 3a16 n ALA 136 Ca -0.16 -3.96 -0.38 0.00 0.00 0.00 0.00 53.44 48.95 3a16 n ALA 136 Cb 0.56 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.98 4.55 0.86 0.00 0.04 -1.19 -4.79 135.00 133.49 3a16 s PRO 137 Ca 0.30 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 3a16 s PRO 137 Cb 0.02 -2.91 0.11 0.00 0.04 0.00 0.00 34.50 31.76 3a16 s PRO 137 CO -0.16 0.22 1.09 1.03 0.04 0.00 0.00 177.00 179.22 3a16 s ARG 138 N -1.87 1.53 0.41 4.56 0.52 -1.26 -1.63 118.95 121.20 3a16 s ARG 138 Ca 0.49 0.92 0.13 0.00 -0.52 0.00 0.00 55.73 56.75 3a16 s ARG 138 Cb -0.23 -1.83 0.97 0.00 0.52 0.00 0.00 34.95 34.37 3a16 s ARG 138 CO 0.29 -2.08 1.92 0.00 0.02 0.00 0.00 175.30 175.46 3a16 h ALA 139 N -1.44 2.00 0.00 2.13 0.00 -1.00 1.00 119.26 121.95 3a16 h ALA 139 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3a16 h ALA 139 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a16 h ALA 139 CO 0.54 -0.19 0.00 -0.85 0.00 0.00 0.00 179.25 178.75 3a16 n GLU 140 N -4.49 0.10 -0.34 0.00 0.28 -1.26 -3.70 120.64 111.23 3a16 n GLU 140 Ca 0.14 0.27 0.07 0.00 -0.16 0.00 0.00 57.16 57.48 3a16 n GLU 140 Cb 0.46 -1.67 0.23 0.00 1.43 0.00 0.00 31.44 31.89 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 -1.85 3.03 -4.00 3.44 6.02 0.34 -1.47 117.38 122.89 3a16 n GLN 141 Ca 0.04 -2.46 -0.08 0.00 -0.01 0.00 0.00 57.00 54.49 3a16 n GLN 141 Cb 0.25 -1.56 -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 -1.72 0.33 0.06 1.08 -0.12 -1.23 -0.84 117.98 115.55 3a16 s PHE 142 Ca 0.34 -0.69 0.04 0.00 -0.05 0.00 0.00 56.93 56.57 3a16 s PHE 142 Cb 0.23 -0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.35 3a16 s PHE 142 CO 0.15 -0.29 -0.11 -1.83 -0.05 0.00 0.00 175.22 173.10 3a16 s GLU 143 N -2.49 0.71 0.20 1.99 4.04 0.03 -4.61 118.70 118.58 3a16 s GLU 143 Ca -0.06 -0.92 0.09 0.00 0.04 0.00 0.00 54.97 54.12 3a16 s GLU 143 Cb -0.02 -0.56 -0.04 0.00 0.02 0.00 0.00 34.13 33.52 3a16 s GLU 143 CO -0.05 0.11 -0.18 0.95 -1.84 0.00 0.00 175.26 174.25 3a16 s THR 144 N -1.55 1.98 -0.14 1.83 -4.23 -1.26 -0.94 115.64 111.33 3a16 s THR 144 Ca -0.04 -2.10 -0.07 0.00 -1.18 0.00 0.00 61.69 58.30 3a16 s THR 144 Cb -0.09 -2.01 0.05 0.00 1.34 0.00 0.00 72.50 71.80 3a16 s THR 144 CO 0.01 -0.38 0.33 -0.22 -0.54 0.00 0.00 174.62 173.82 3a16 s LEU 145 N -2.99 0.11 -0.04 4.79 2.96 -0.31 -4.68 118.68 118.50 3a16 s LEU 145 Ca 0.21 0.72 0.03 0.00 -0.22 0.00 0.00 54.13 54.87 3a16 s LEU 145 Cb -0.05 1.06 0.00 0.00 0.50 0.00 0.00 46.19 47.70 3a16 s LEU 145 CO 0.09 -0.18 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.49 3a16 s TYR 146 N 1.41 1.37 -0.20 5.38 2.02 0.16 -0.75 117.35 126.74 3a16 s TYR 146 Ca -0.09 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 3a16 s TYR 146 Cb -0.09 -0.97 0.29 0.00 -0.40 0.00 0.00 41.96 40.79 3a16 s TYR 146 CO -0.11 -0.18 1.40 0.00 -1.57 0.00 0.00 175.55 175.10 3a16 n ALA 147 N 3.41 3.87 -3.83 3.71 0.00 -0.36 -1.11 120.51 126.20 3a16 n ALA 147 Ca -0.20 -1.27 -0.07 0.00 0.00 0.00 0.00 53.44 51.90 3a16 n ALA 147 Cb 0.53 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.45 0.01 0.00 0.00 -0.71 -1.26 -4.79 117.98 109.79 3a16 s PHE 148 Ca 0.25 -0.55 0.00 0.00 -1.04 0.00 0.00 56.93 55.59 3a16 s PHE 148 Cb 0.21 0.76 0.00 0.00 -1.21 0.00 0.00 43.02 42.78 3a16 s PHE 148 CO 0.05 -1.30 0.00 1.04 -1.34 0.00 0.00 175.22 173.67 3a16 n GLN 149 N -0.54 0.94 -4.33 1.99 6.02 -1.26 -4.60 117.38 115.60 3a16 n GLN 149 Ca -0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.65 3a16 n GLN 149 Cb 0.60 -0.96 -0.11 0.00 1.02 0.00 0.00 30.24 30.79 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 -1.86 1.81 -0.96 -1.09 1.03 -1.26 -4.74 118.70 111.62 3a16 s GLU 150 Ca 0.00 -1.31 -0.08 0.00 0.03 0.00 0.00 54.97 53.61 3a16 s GLU 150 Cb 0.00 -2.05 -0.03 0.00 -0.80 0.00 0.00 34.13 31.25 3a16 s GLU 150 CO 0.00 0.44 0.79 -3.47 -1.33 0.00 0.00 175.26 171.69 3a16 n ASP 151 N 0.36 -6.45 -4.71 0.83 2.03 -1.26 -4.88 116.55 102.48 3a16 n ASP 151 Ca -0.13 -0.64 -0.42 0.00 0.52 0.00 0.00 54.79 54.12 3a16 n ASP 151 Cb 0.55 -4.38 -0.03 0.00 -0.72 0.00 0.00 41.12 36.54 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 -5.26 4.35 0.74 -2.67 1.43 -1.26 -5.03 118.68 110.98 3a16 s LEU 152 Ca 0.29 2.16 -0.08 0.00 -1.03 0.00 0.00 54.13 55.47 3a16 s LEU 152 Cb -0.07 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.66 3a16 s LEU 152 CO 0.79 -0.62 1.06 -2.16 0.23 0.00 0.00 176.35 175.66 3a16 s PRO 153 N 1.50 1.99 4.77 1.29 0.04 -1.26 -2.87 135.00 140.45 3a16 s PRO 153 Ca 0.62 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.37 3a16 s PRO 153 Cb -0.33 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3a16 s PRO 153 CO 0.29 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.33 3a16 n GLY 154 N -3.04 1.95 0.29 0.56 0.00 -1.26 -2.75 105.19 100.95 3a16 n GLY 154 Ca 0.09 -0.48 0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 0.55 -0.74 1.61 3.04 -2.00 -1.21 116.25 117.51 3a16 h VAL 155 Ca 0.00 -0.04 0.13 0.00 -1.01 0.00 0.00 66.70 65.77 3a16 h VAL 155 Cb 0.00 1.03 -0.05 0.00 -2.01 0.00 0.00 31.29 30.26 3a16 h VAL 155 CO 0.00 0.01 0.49 1.23 -1.01 0.00 0.00 177.57 178.29 3a16 h GLY 156 N 0.06 0.78 2.00 3.17 0.00 -1.79 -1.55 103.07 105.75 3a16 h GLY 156 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3a16 h GLY 156 CO 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 176.54 176.60 3a16 h ALA 157 N 1.64 1.10 -0.20 3.60 0.00 -1.07 -2.25 119.26 122.08 3a16 h ALA 157 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3a16 h ALA 157 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3a16 h ALA 157 CO -0.12 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.50 3a16 n VAL 158 N -3.26 0.28 -2.47 0.00 0.24 -0.59 -4.94 118.33 107.60 3a16 n VAL 158 Ca -0.02 -0.64 -0.23 0.00 -2.04 0.00 0.00 64.34 61.41 3a16 n VAL 158 Cb 0.18 1.17 0.05 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.52 2.43 0.35 7.34 -1.94 -0.85 -4.97 119.30 120.14 3a16 s MET 159 Ca 0.29 -0.54 0.18 0.00 -1.71 0.00 0.00 55.69 53.92 3a16 s MET 159 Cb 0.19 -2.36 0.39 0.00 2.01 0.00 0.00 34.83 35.06 3a16 s MET 159 CO 0.27 -0.91 1.60 -0.44 -0.01 0.00 0.00 175.02 175.52 3a16 h ASP 160 N -0.20 0.00 0.00 3.03 3.32 -0.75 -3.48 116.42 118.34 3a16 h ASP 160 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3a16 h ASP 160 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3a16 h ASP 160 CO 0.56 0.38 0.00 0.61 -1.72 0.00 0.00 179.24 179.07 3a16 n GLY 161 N 0.80 -0.87 3.72 2.75 0.00 -0.90 -5.00 105.19 105.69 3a16 n GLY 161 Ca 0.01 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 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 4.37 0.98 -0.61 1.10 -1.26 0.15 121.20 122.93 3a16 s ILE 162 Ca 0.00 -0.56 -0.16 0.00 -0.51 0.00 0.00 60.65 59.42 3a16 s ILE 162 Cb 0.00 -2.98 0.20 0.00 0.15 0.00 0.00 42.46 39.82 3a16 s ILE 162 CO 0.00 0.34 1.25 -0.94 -2.11 0.00 0.00 174.94 173.48 3a16 s SER 163 N -1.70 2.92 0.94 4.50 1.04 -0.30 -4.80 113.70 116.30 3a16 s SER 163 Ca 0.21 0.47 -0.11 0.00 0.48 0.00 0.00 55.95 57.00 3a16 s SER 163 Cb -0.12 -0.65 0.17 0.00 0.10 0.00 0.00 66.02 65.52 3a16 s SER 163 CO 0.12 -2.87 1.03 0.61 0.98 0.00 0.00 173.24 173.12 3a16 n GLY 164 N -3.04 -1.07 3.66 7.32 0.00 -1.26 -4.74 105.19 106.06 3a16 n GLY 164 Ca 0.13 -1.76 -0.46 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.15 2.03 -4.07 1.61 1.02 -1.26 -4.58 120.64 112.25 3a16 n GLU 165 Ca 0.13 0.73 -0.27 0.00 -0.02 0.00 0.00 57.16 57.73 3a16 n GLU 165 Cb 0.47 -2.45 -0.05 0.00 -0.02 0.00 0.00 31.44 29.38 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 0.56 4.55 0.06 -3.67 -4.36 -0.67 -3.47 121.20 114.19 3a16 s ILE 166 Ca 0.76 -1.00 -0.12 0.00 -0.26 0.00 0.00 60.65 60.03 3a16 s ILE 166 Cb -0.69 -3.30 -0.30 0.00 1.25 0.00 0.00 42.46 39.42 3a16 s ILE 166 CO 0.42 -0.06 1.10 -1.13 0.24 0.00 0.00 174.94 175.51 3a16 h ASN 167 N 2.57 0.76 -1.13 4.36 -0.73 -1.61 -3.42 115.58 116.38 3a16 h ASN 167 Ca -0.47 -0.74 -0.74 0.00 1.87 0.00 0.00 56.30 56.21 3a16 h ASN 167 Cb 1.19 -0.24 -0.13 0.00 0.27 0.00 0.00 38.32 39.41 3a16 h ASN 167 CO 0.64 1.56 2.33 -0.62 -0.37 0.00 0.00 177.43 180.97 3a16 n GLU 168 N -3.72 3.85 -3.69 6.67 4.71 -1.26 -4.49 120.64 122.70 3a16 n GLU 168 Ca -0.13 -3.36 -0.09 0.00 -0.01 0.00 0.00 57.16 53.56 3a16 n GLU 168 Cb 1.01 -2.86 -0.03 0.00 -1.01 0.00 0.00 31.44 28.56 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 0.24 -0.24 0.00 -0.32 -3.43 -1.26 -4.66 115.29 105.62 3a16 s HIS 169 Ca 0.46 -0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 3a16 s HIS 169 Cb 0.13 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.80 3a16 s HIS 169 CO -0.03 -0.99 0.00 0.41 -2.00 0.00 0.00 174.74 172.13 3a16 n GLY 170 N -0.38 0.67 3.18 -1.38 0.00 -1.26 -4.63 105.19 101.38 3a16 n GLY 170 Ca -0.10 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.15 0.29 1.61 1.13 -1.26 -4.94 117.35 112.02 3a16 s TYR 171 Ca 0.00 0.30 -0.30 0.00 -1.41 0.00 0.00 57.07 55.66 3a16 s TYR 171 Cb 0.00 0.06 -0.11 0.00 -1.10 0.00 0.00 41.96 40.81 3a16 s TYR 171 CO 0.00 -0.28 1.47 -1.58 -2.51 0.00 0.00 175.55 172.65 3a16 s TRP 172 N -0.88 2.90 0.00 -3.49 0.52 -1.26 -1.60 118.94 115.13 3a16 s TRP 172 Ca -0.10 1.03 0.00 0.00 0.02 0.00 0.00 56.10 57.05 3a16 s TRP 172 Cb -0.05 -3.89 0.00 0.00 -1.15 0.00 0.00 33.47 28.38 3a16 s TRP 172 CO 0.02 -2.85 0.00 0.41 0.02 0.00 0.00 176.95 174.55 3a16 n GLY 173 N 1.81 1.67 0.23 0.98 0.00 -1.26 -4.96 105.19 103.66 3a16 n GLY 173 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 0.53 -0.16 1.61 4.64 -1.62 -2.65 113.55 115.90 3a16 h SER 174 Ca 0.00 -0.21 0.04 0.00 -0.47 0.00 0.00 61.79 61.15 3a16 h SER 174 Cb 0.00 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 3a16 h SER 174 CO 0.00 0.84 -0.10 -0.03 -0.87 0.00 0.00 176.83 176.66 3a16 h MET 175 N 0.43 -0.10 -0.54 4.77 -1.53 -1.83 -1.58 114.93 114.56 3a16 h MET 175 Ca 0.05 0.01 0.11 0.00 -3.44 0.00 0.00 59.70 56.42 3a16 h MET 175 Cb 0.81 0.02 -0.10 0.00 -0.55 0.00 0.00 31.60 31.79 3a16 h MET 175 CO 0.07 -0.07 -0.07 -0.09 0.14 0.00 0.00 176.91 176.89 3a16 h ARG 176 N -0.10 0.05 0.00 0.39 2.43 -1.93 -1.58 114.38 113.64 3a16 h ARG 176 Ca 0.10 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3a16 h ARG 176 Cb 0.24 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3a16 h ARG 176 CO -0.22 0.03 0.00 0.93 -1.51 0.00 0.00 179.97 179.20 3a16 h GLU 177 N 0.05 0.00 0.00 0.20 5.08 -1.06 -2.09 114.58 116.76 3a16 h GLU 177 Ca 0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 3a16 h GLU 177 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3a16 h GLU 177 CO -0.51 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.33 3a16 h ARG 178 N 0.00 0.00 -6.26 2.33 3.08 -0.32 -3.44 114.38 109.78 3a16 h ARG 178 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3a16 h ARG 178 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3a16 h ARG 178 CO 0.00 0.13 1.01 -0.06 -1.07 0.00 0.00 179.97 179.98 3a16 s PHE 179 N -3.15 2.29 0.43 3.04 0.40 -0.79 -4.59 117.98 115.62 3a16 s PHE 179 Ca 0.06 0.45 0.13 0.00 -0.60 0.00 0.00 56.93 56.97 3a16 s PHE 179 Cb 0.06 -3.80 1.01 0.00 0.51 0.00 0.00 43.02 40.81 3a16 s PHE 179 CO 0.69 -3.21 2.00 -1.35 0.70 0.00 0.00 175.22 174.05 3a16 h PRO 180 N 8.98 0.40 0.00 0.24 0.11 -1.80 -1.22 132.00 138.71 3a16 h PRO 180 Ca -0.36 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 3a16 h PRO 180 Cb 1.16 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3a16 h PRO 180 CO 0.95 0.27 -0.02 0.97 -0.21 0.00 0.00 178.00 179.96 3a16 h ILE 181 N 0.41 0.09 0.00 4.15 2.10 -1.61 -2.71 117.51 119.94 3a16 h ILE 181 Ca 0.25 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.88 3a16 h ILE 181 Cb 0.43 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 3a16 h ILE 181 CO -0.07 0.02 0.01 -1.54 -1.08 0.00 0.00 178.15 175.50 3a16 n SER 182 N -3.17 0.41 0.26 2.19 3.41 -0.46 -0.36 113.62 115.90 3a16 n SER 182 Ca -0.01 0.69 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 3a16 n SER 182 Cb 0.20 -0.74 0.70 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.67 -3.38 115.11 118.60 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 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3a16 h GLN 183 CO 0.00 0.11 -0.26 0.25 -0.67 0.00 0.00 178.83 178.26 3a16 n THR 184 N -3.42 0.00 -5.16 -0.54 -2.24 -0.12 -0.81 114.28 101.98 3a16 n THR 184 Ca -0.01 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 3a16 n THR 184 Cb 0.28 -0.12 -0.16 0.00 -2.10 0.00 0.00 70.33 68.24 3a16 n THR 184 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a16 s ASP 185 N -1.15 2.78 0.17 3.42 -1.08 0.51 -4.75 116.67 116.57 3a16 s ASP 185 Ca 0.00 -0.44 0.26 0.00 -0.52 0.00 0.00 52.55 51.85 3a16 s ASP 185 Cb 0.00 -0.51 0.90 0.00 -1.46 0.00 0.00 42.92 41.85 3a16 s ASP 185 CO 0.00 0.26 1.79 0.79 0.52 0.00 0.00 175.17 178.53 3a16 n TRP 186 N 2.71 0.73 -3.95 -5.34 7.02 -1.26 -4.21 117.44 113.14 3a16 n TRP 186 Ca -0.16 0.22 -0.28 0.00 -1.02 0.00 0.00 57.50 56.26 3a16 n TRP 186 Cb 0.52 -0.86 0.00 0.00 -2.42 0.00 0.00 31.31 28.55 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 -2.11 -4.18 -2.45 -0.99 2.81 -1.26 -4.93 117.12 104.02 3a16 n MET 187 Ca 0.05 0.49 -0.42 0.00 -1.81 0.00 0.00 57.70 56.02 3a16 n MET 187 Cb 0.39 -5.03 -0.03 0.00 -0.71 0.00 0.00 33.22 27.84 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 -6.54 4.44 0.30 0.03 0.74 -1.26 -4.58 119.66 112.79 3a16 s GLN 188 Ca 0.33 1.73 -0.29 0.00 0.05 0.00 0.00 55.36 57.19 3a16 s GLN 188 Cb -0.17 -3.37 -0.10 0.00 1.10 0.00 0.00 33.01 30.47 3a16 s GLN 188 CO 0.87 -0.26 1.15 0.00 -0.55 0.00 0.00 175.29 176.50 3a16 s ALA 189 N 1.15 3.40 0.08 1.58 0.00 -1.26 -4.63 121.76 122.09 3a16 s ALA 189 Ca 0.58 0.98 -0.16 0.00 0.00 0.00 0.00 51.96 53.36 3a16 s ALA 189 Cb -0.28 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.50 3a16 s ALA 189 CO 0.29 -0.29 0.37 -1.54 0.00 0.00 0.00 175.76 174.58 3a16 s SER 190 N -0.83 -0.20 0.00 0.00 1.04 -1.13 -5.03 113.70 107.55 3a16 s SER 190 Ca 0.47 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3a16 s SER 190 Cb -0.33 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3a16 s SER 190 CO 0.43 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.52 3a16 n GLY 191 N 0.16 -3.42 3.22 7.32 0.00 -1.26 -1.72 105.19 109.49 3a16 n GLY 191 Ca -0.17 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.82 1.39 -0.15 1.61 8.01 -1.26 -4.89 118.70 122.60 3a16 s GLU 192 Ca 0.00 -0.84 -0.29 0.00 0.01 0.00 0.00 54.97 53.85 3a16 s GLU 192 Cb 0.00 -1.44 -0.02 0.00 -4.31 0.00 0.00 34.13 28.35 3a16 s GLU 192 CO 0.00 0.38 1.37 -1.17 0.01 0.00 0.00 175.26 175.84 3a16 s LEU 193 N -0.94 4.19 0.00 1.80 2.96 -1.26 -4.24 118.68 121.19 3a16 s LEU 193 Ca 0.07 1.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.78 3a16 s LEU 193 Cb -0.08 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 3a16 s LEU 193 CO 0.01 -0.83 -0.00 0.00 -1.32 0.00 0.00 176.35 174.21 3a16 s ARG 194 N 3.69 0.02 0.01 1.98 1.70 -0.67 -0.07 118.95 125.60 3a16 s ARG 194 Ca 0.60 -0.02 -0.30 0.00 -0.47 0.00 0.00 55.73 55.53 3a16 s ARG 194 Cb -0.24 -0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.09 3a16 s ARG 194 CO 0.19 0.00 1.13 0.08 -1.08 0.00 0.00 175.30 175.61 3a16 s VAL 195 N -0.04 4.36 -0.09 4.99 1.01 0.20 -0.74 120.40 130.10 3a16 s VAL 195 Ca -0.00 1.69 0.12 0.00 0.00 0.00 0.00 61.98 63.79 3a16 s VAL 195 Cb -0.00 -4.08 -0.18 0.00 0.00 0.00 0.00 36.38 32.11 3a16 s VAL 195 CO -0.00 0.09 0.30 2.30 0.00 0.00 0.00 175.10 177.80 3a16 n ILE 196 N 4.11 0.00 -3.76 2.22 -5.35 -0.02 -4.42 119.36 112.13 3a16 n ILE 196 Ca 0.09 -0.28 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 3a16 n ILE 196 Cb 0.48 0.32 -0.12 0.00 -1.74 0.00 0.00 39.64 38.57 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 -2.77 -0.61 0.00 -1.28 0.00 -1.12 -4.98 121.76 111.00 3a16 s ALA 197 Ca -0.03 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.76 3a16 s ALA 197 Cb 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3a16 s ALA 197 CO 0.51 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.53 3a16 n GLY 198 N 3.46 -1.80 3.13 0.00 0.00 -1.26 -1.22 105.19 107.50 3a16 n GLY 198 Ca -0.18 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 0.02 0.27 1.61 -1.08 -1.26 -4.77 116.67 107.46 3a16 s ASP 199 Ca 0.00 0.73 -0.01 0.00 -0.52 0.00 0.00 52.55 52.75 3a16 s ASP 199 Cb 0.00 1.14 0.48 0.00 -1.46 0.00 0.00 42.92 43.08 3a16 s ASP 199 CO 0.00 -0.25 1.85 -0.65 0.52 0.00 0.00 175.17 176.64 3a16 h PRO 200 N 8.20 1.02 0.00 4.34 0.11 -1.93 -2.67 132.00 141.08 3a16 h PRO 200 Ca -0.16 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 3a16 h PRO 200 Cb 1.12 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 3a16 h PRO 200 CO 0.16 0.68 -0.00 0.00 -0.21 0.00 0.00 178.00 178.62 3a16 h ALA 201 N 1.50 1.01 0.00 -0.75 0.00 -1.96 -2.47 119.26 116.59 3a16 h ALA 201 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3a16 h ALA 201 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3a16 h ALA 201 CO -0.23 0.00 -1.89 0.28 0.00 0.00 0.00 179.25 177.41 3a16 n VAL 202 N -3.10 0.00 -3.48 0.00 0.31 -1.04 -5.05 118.33 105.98 3a16 n VAL 202 Ca -0.01 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 3a16 n VAL 202 Cb 0.19 0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 1.34 -0.77 7.00 2.92 0.00 -0.93 -5.06 105.19 109.68 3a16 n GLY 203 Ca -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.19 3.67 -0.02 0.00 -1.26 -4.57 105.19 102.82 3a16 n GLY 204 Ca 0.00 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.19 118.95 122.88 3a16 s ARG 205 Ca 0.00 1.14 0.03 0.00 -0.52 0.00 0.00 55.73 56.38 3a16 s ARG 205 Cb 0.00 -3.58 0.01 0.00 0.52 0.00 0.00 34.95 31.90 3a16 s ARG 205 CO 0.00 -0.38 -0.13 0.08 0.02 0.00 0.00 175.30 174.89 3a16 s VAL 206 N 2.31 1.16 -0.08 3.52 1.01 0.19 -4.28 120.40 124.23 3a16 s VAL 206 Ca 0.41 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.91 3a16 s VAL 206 Cb -0.17 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3a16 s VAL 206 CO 0.12 0.35 -0.20 -0.69 0.00 0.00 0.00 175.10 174.69 3a16 s VAL 207 N 0.44 2.48 -0.04 2.92 1.01 -0.36 -0.17 120.40 126.67 3a16 s VAL 207 Ca -0.10 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.01 3a16 s VAL 207 Cb -0.14 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 3a16 s VAL 207 CO 0.03 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.84 3a16 s VAL 208 N -0.12 1.37 0.00 2.92 1.01 0.40 -0.84 120.40 125.15 3a16 s VAL 208 Ca -0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3a16 s VAL 208 Cb -0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3a16 s VAL 208 CO 0.04 0.40 0.12 -0.13 0.00 0.00 0.00 175.10 175.53 3a16 s ARG 209 N 0.10 3.18 0.71 2.72 0.52 0.08 -1.98 118.95 124.28 3a16 s ARG 209 Ca -0.05 -0.45 -0.06 0.00 -0.52 0.00 0.00 55.73 54.65 3a16 s ARG 209 Cb -0.12 -2.93 0.08 0.00 0.52 0.00 0.00 34.95 32.50 3a16 s ARG 209 CO 0.02 0.65 1.01 0.20 0.02 0.00 0.00 175.30 177.20 3a16 s GLY 210 N -1.89 1.72 0.48 -3.53 0.00 -1.26 -1.67 107.32 101.16 3a16 s GLY 210 Ca 0.25 -1.10 0.06 0.00 0.00 0.00 0.00 44.72 43.93 3a16 s GLY 210 CO 0.17 -0.66 0.29 -2.38 0.00 0.00 0.00 173.10 170.52 3a16 s HIS 211 N -3.24 2.15 0.11 1.90 -3.43 -1.26 -4.79 115.29 106.73 3a16 s HIS 211 Ca 0.62 -0.71 -0.34 0.00 -0.80 0.00 0.00 55.06 53.83 3a16 s HIS 211 Cb -0.09 -1.94 -0.13 0.00 -1.43 0.00 0.00 32.58 28.98 3a16 s HIS 211 CO 0.45 -0.14 1.67 -3.47 -2.00 0.00 0.00 174.74 171.25 3a16 n ASP 212 N -1.51 3.30 -2.98 7.38 2.03 -0.70 -3.22 116.55 120.85 3a16 n ASP 212 Ca -0.02 1.05 -0.22 0.00 0.52 0.00 0.00 54.79 56.12 3a16 n ASP 212 Cb 0.64 -1.43 0.04 0.00 -0.72 0.00 0.00 41.12 39.65 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 4.35 -5.99 -4.68 1.67 3.02 0.97 -2.85 115.26 111.74 3a16 n ASN 213 Ca 0.18 -0.32 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 3a16 n ASN 213 Cb 0.30 -4.77 0.02 0.00 -0.61 0.00 0.00 39.78 34.71 3a16 n ASN 213 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3a16 n ILE 214 N -4.55 2.68 -4.44 2.41 5.41 -1.20 -4.09 119.36 115.60 3a16 n ILE 214 Ca -0.09 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.86 3a16 n ILE 214 Cb 0.61 -1.48 -0.12 0.00 -0.71 0.00 0.00 39.64 37.94 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 -1.23 2.66 -0.08 -1.39 0.00 -0.64 -2.50 121.76 118.58 3a16 s ALA 215 Ca 0.63 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3a16 s ALA 215 Cb -0.51 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 21.94 3a16 s ALA 215 CO 0.57 0.59 -0.07 -1.17 0.00 0.00 0.00 175.76 175.67 3a16 s LEU 216 N -1.88 1.24 -0.16 0.00 2.96 0.52 -0.32 118.68 121.05 3a16 s LEU 216 Ca 0.17 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3a16 s LEU 216 Cb -0.11 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.85 3a16 s LEU 216 CO 0.08 -0.08 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.50 3a16 s ILE 217 N 1.33 4.04 -0.36 6.68 2.07 0.43 -0.61 121.20 134.77 3a16 s ILE 217 Ca -0.03 -0.31 -0.07 0.00 -1.41 0.00 0.00 60.65 58.83 3a16 s ILE 217 Cb -0.14 -2.77 0.05 0.00 0.13 0.00 0.00 42.46 39.73 3a16 s ILE 217 CO -0.03 0.49 0.14 -0.60 -1.91 0.00 0.00 174.94 173.03 3a16 s ARG 218 N 0.33 2.58 -0.17 3.50 3.52 -0.14 -0.71 118.95 127.85 3a16 s ARG 218 Ca -0.03 -1.26 -0.00 0.00 -0.13 0.00 0.00 55.73 54.31 3a16 s ARG 218 Cb -0.14 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 3a16 s ARG 218 CO 0.03 -0.74 -0.15 0.45 -0.81 0.00 0.00 175.30 174.08 3a16 s SER 219 N 1.55 3.63 0.30 -2.12 0.15 -0.84 -0.52 113.70 115.85 3a16 s SER 219 Ca -0.00 -0.50 0.08 0.00 0.70 0.00 0.00 55.95 56.22 3a16 s SER 219 Cb -0.20 -1.57 -0.06 0.00 -1.71 0.00 0.00 66.02 62.48 3a16 s SER 219 CO 0.02 0.05 -0.07 -0.83 1.20 0.00 0.00 173.24 173.61 3a16 s GLY 220 N 1.05 1.96 -0.02 9.45 0.00 -0.48 -0.50 107.32 118.78 3a16 s GLY 220 Ca -0.01 -1.97 -0.00 0.00 0.00 0.00 0.00 44.72 42.74 3a16 s GLY 220 CO -0.04 -1.90 0.03 1.20 0.00 0.00 0.00 173.10 172.39 3a16 s GLN 221 N -3.69 -0.03 -0.18 2.90 1.11 0.10 -2.54 119.66 117.33 3a16 s GLN 221 Ca 0.31 0.22 -0.01 0.00 0.01 0.00 0.00 55.36 55.88 3a16 s GLN 221 Cb 0.03 -0.30 0.05 0.00 -1.01 0.00 0.00 33.01 31.78 3a16 s GLN 221 CO 0.13 -0.20 -0.02 0.34 0.01 0.00 0.00 175.29 175.56 3a16 s ASP 222 N 1.27 2.96 -0.07 5.90 -1.08 0.64 0.06 116.67 126.35 3a16 s ASP 222 Ca -0.07 -0.77 0.10 0.00 -0.52 0.00 0.00 52.55 51.30 3a16 s ASP 222 Cb -0.13 -0.82 0.21 0.00 -1.46 0.00 0.00 42.92 40.71 3a16 s ASP 222 CO -0.03 -0.23 1.14 -2.67 0.52 0.00 0.00 175.17 173.89 3a16 n TRP 223 N 4.91 0.18 -0.19 -5.34 2.14 -0.72 -0.63 117.44 117.80 3a16 n TRP 223 Ca -0.11 -0.72 0.05 0.00 2.07 0.00 0.00 57.50 58.80 3a16 n TRP 223 Cb 0.47 -0.12 0.34 0.00 -0.81 0.00 0.00 31.31 31.19 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 0.49 1.66 -0.17 -1.67 0.00 -1.87 -2.82 119.26 114.88 3a16 h ALA 224 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a16 h ALA 224 Cb 0.82 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3a16 h ALA 224 CO 0.03 0.24 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 3a16 n ASP 225 N -4.47 2.75 -4.77 0.00 8.00 -1.26 -4.96 116.55 111.84 3a16 n ASP 225 Ca 0.10 -1.81 -0.39 0.00 0.71 0.00 0.00 54.79 53.40 3a16 n ASP 225 Cb 0.20 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 3a16 n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a16 s ALA 226 N -1.34 3.24 0.94 2.24 0.00 -1.07 -4.89 121.76 120.88 3a16 s ALA 226 Ca 0.25 1.09 -0.14 0.00 0.00 0.00 0.00 51.96 53.16 3a16 s ALA 226 Cb 0.16 -3.43 0.20 0.00 0.00 0.00 0.00 23.12 20.05 3a16 s ALA 226 CO 0.23 -0.63 1.29 -1.21 0.00 0.00 0.00 175.76 175.44 3a16 s GLU 227 N -2.18 0.67 0.19 0.00 0.41 -1.26 -4.68 118.70 111.85 3a16 s GLU 227 Ca 0.56 -0.58 -0.14 0.00 -0.41 0.00 0.00 54.97 54.40 3a16 s GLU 227 Cb -0.34 -1.91 0.18 0.00 -1.78 0.00 0.00 34.13 30.28 3a16 s GLU 227 CO 0.44 -2.35 1.69 0.00 -0.49 0.00 0.00 175.26 174.55 3a16 h ALA 228 N -1.53 0.47 -0.15 5.21 0.00 -1.99 0.39 119.26 121.67 3a16 h ALA 228 Ca -0.43 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 3a16 h ALA 228 Cb 1.23 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3a16 h ALA 228 CO 0.36 -0.38 -0.64 -0.44 0.00 0.00 0.00 179.25 178.15 3a16 h ASP 229 N 0.13 0.62 -0.14 0.00 3.32 -1.99 -2.30 116.42 116.05 3a16 h ASP 229 Ca 0.25 -0.36 -0.17 0.00 0.02 0.00 0.00 57.03 56.76 3a16 h ASP 229 Cb 0.36 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.74 3a16 h ASP 229 CO -0.39 1.09 -0.58 -0.08 -1.72 0.00 0.00 179.24 177.56 3a16 h GLU 230 N 0.39 0.63 -0.72 3.56 4.81 -1.83 -2.55 114.58 118.88 3a16 h GLU 230 Ca -0.01 -0.50 0.06 0.00 -0.13 0.00 0.00 59.36 58.78 3a16 h GLU 230 Cb 1.20 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 3a16 h GLU 230 CO 0.12 1.12 0.42 0.00 -0.73 0.00 0.00 179.01 179.94 3a16 h ARG 231 N 0.29 0.75 -0.56 1.92 3.08 -0.95 -1.53 114.38 117.39 3a16 h ARG 231 Ca -0.03 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3a16 h ARG 231 Cb 1.21 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 3a16 h ARG 231 CO 0.12 0.50 0.27 0.77 -1.07 0.00 0.00 179.97 180.56 3a16 h SER 232 N 0.78 0.70 -0.36 7.04 0.02 -1.38 -0.77 113.55 119.58 3a16 h SER 232 Ca 0.32 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 3a16 h SER 232 Cb 0.17 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3a16 h SER 232 CO -0.17 0.59 0.01 -0.07 -1.14 0.00 0.00 176.83 176.05 3a16 h LEU 233 N 0.78 0.61 0.06 5.07 3.38 -0.92 0.23 115.31 124.52 3a16 h LEU 233 Ca 0.20 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3a16 h LEU 233 Cb 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3a16 h LEU 233 CO -0.03 0.76 -0.03 0.22 0.09 0.00 0.00 178.44 179.45 3a16 h TYR 234 N 0.44 -0.07 -0.13 1.13 3.20 -1.07 -1.78 116.97 118.69 3a16 h TYR 234 Ca 0.10 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.84 3a16 h TYR 234 Cb 0.44 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3a16 h TYR 234 CO 0.03 0.12 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.13 3a16 h LEU 235 N -0.26 0.36 0.09 2.82 3.38 -1.13 0.18 115.31 120.75 3a16 h LEU 235 Ca -0.01 -0.17 -0.34 0.00 0.09 0.00 0.00 57.88 57.45 3a16 h LEU 235 Cb 0.23 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3a16 h LEU 235 CO 0.01 0.78 -1.89 0.47 0.09 0.00 0.00 178.44 177.90 3a16 n ASP 236 N -3.98 1.74 -0.09 -0.43 8.00 0.07 -4.42 116.55 117.44 3a16 n ASP 236 Ca -0.02 0.28 -0.15 0.00 0.71 0.00 0.00 54.79 55.62 3a16 n ASP 236 Cb 0.54 -0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 40.93 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 -3.35 0.44 -0.09 -1.24 -0.58 -0.68 -4.66 120.64 110.48 3a16 n GLU 237 Ca -0.27 0.13 -0.17 0.00 -0.42 0.00 0.00 57.16 56.43 3a16 n GLU 237 Cb 1.05 -1.31 -0.11 0.00 -0.57 0.00 0.00 31.44 30.50 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 -0.19 1.06 -0.77 -3.67 2.04 -1.30 -3.40 117.51 111.28 3a16 h ILE 238 Ca -0.43 -2.07 0.05 0.00 1.00 0.00 0.00 64.86 63.41 3a16 h ILE 238 Cb 1.57 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 39.88 3a16 h ILE 238 CO -0.13 0.36 0.47 0.25 0.00 0.00 0.00 178.15 179.10 3a16 h LEU 239 N -1.00 0.75 -0.92 1.44 5.85 -0.87 -1.61 115.31 118.96 3a16 h LEU 239 Ca -0.20 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3a16 h LEU 239 Cb 1.09 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 3a16 h LEU 239 CO -0.12 0.50 0.60 -0.65 -0.34 0.00 0.00 178.44 178.42 3a16 h PRO 240 N 0.89 1.13 -0.42 5.25 0.11 -1.79 0.23 132.00 137.40 3a16 h PRO 240 Ca 0.33 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.32 3a16 h PRO 240 Cb 0.11 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 3a16 h PRO 240 CO -0.15 0.75 0.07 1.79 -0.21 0.00 0.00 178.00 180.24 3a16 h THR 241 N 1.16 1.24 -0.48 -1.15 1.35 -1.64 -1.43 112.91 111.97 3a16 h THR 241 Ca 0.36 -0.88 0.05 0.00 -0.55 0.00 0.00 66.41 65.39 3a16 h THR 241 Cb -0.01 1.01 -0.04 0.00 -1.73 0.00 0.00 68.15 67.38 3a16 h THR 241 CO -0.12 0.31 0.22 0.25 -0.25 0.00 0.00 175.52 175.93 3a16 h LEU 242 N 0.55 0.31 -0.88 3.87 5.85 -0.91 -2.09 115.31 121.99 3a16 h LEU 242 Ca 0.13 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3a16 h LEU 242 Cb 0.38 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3a16 h LEU 242 CO 0.01 0.22 0.55 -0.61 -0.34 0.00 0.00 178.44 178.26 3a16 h GLN 243 N 0.44 1.19 -0.58 1.25 5.75 -0.33 -0.23 115.11 122.60 3a16 h GLN 243 Ca 0.21 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3a16 h GLN 243 Cb 0.14 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 3a16 h GLN 243 CO -0.17 0.82 0.35 1.03 -2.65 0.00 0.00 178.83 178.22 3a16 h SER 244 N 1.21 0.70 -0.55 -0.69 0.87 -1.00 0.11 113.55 114.20 3a16 h SER 244 Ca 0.32 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 3a16 h SER 244 Cb -0.07 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 3a16 h SER 244 CO -0.06 0.56 0.29 1.23 -0.53 0.00 0.00 176.83 178.31 3a16 h GLY 245 N 0.79 0.84 1.03 5.77 0.00 -0.95 -1.33 103.07 109.22 3a16 h GLY 245 Ca 0.21 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 3a16 h GLY 245 CO -0.04 0.38 -0.37 -0.33 0.00 0.00 0.00 176.54 176.18 3a16 h MET 246 N 0.75 0.77 -0.67 4.80 2.07 -0.80 -1.75 114.93 120.10 3a16 h MET 246 Ca 0.19 -0.44 0.04 0.00 -2.07 0.00 0.00 59.70 57.43 3a16 h MET 246 Cb 0.08 0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 29.79 3a16 h MET 246 CO -0.03 1.07 0.39 -0.44 1.07 0.00 0.00 176.91 178.97 3a16 h ASP 247 N 0.53 0.61 0.31 1.22 3.32 -0.71 0.42 116.42 122.12 3a16 h ASP 247 Ca 0.04 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3a16 h ASP 247 Cb 0.96 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3a16 h ASP 247 CO 0.09 0.41 -0.23 0.15 -1.72 0.00 0.00 179.24 177.94 3a16 h PHE 248 N 0.74 -0.60 -0.97 4.55 3.57 -1.03 -1.46 116.94 121.74 3a16 h PHE 248 Ca 0.28 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.79 3a16 h PHE 248 Cb 0.11 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3a16 h PHE 248 CO -0.06 -0.35 0.64 -0.07 -2.23 0.00 0.00 178.31 176.24 3a16 h LEU 249 N -0.54 1.11 -1.29 0.59 3.38 -1.12 0.19 115.31 117.63 3a16 h LEU 249 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3a16 h LEU 249 Cb 0.47 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3a16 h LEU 249 CO -0.00 0.80 0.37 -0.09 0.09 0.00 0.00 178.44 179.61 3a16 h ARG 250 N 1.31 0.85 -0.00 1.13 2.43 -0.71 -2.92 114.38 116.47 3a16 h ARG 250 Ca 0.35 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3a16 h ARG 250 Cb -0.15 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.22 3a16 h ARG 250 CO -0.08 0.61 -0.43 -0.25 -1.51 0.00 0.00 179.97 178.31 3a16 n ASP 251 N -4.40 0.99 -1.12 -3.80 8.00 -0.57 -4.52 116.55 111.14 3a16 n ASP 251 Ca 0.06 -1.00 0.05 0.00 0.71 0.00 0.00 54.79 54.61 3a16 n ASP 251 Cb 0.08 0.74 0.10 0.00 -0.02 0.00 0.00 41.12 42.01 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 -0.75 1.30 0.20 -2.24 3.02 0.63 -4.94 115.26 112.48 3a16 n ASN 252 Ca 0.04 -2.80 -0.15 0.00 -0.03 0.00 0.00 54.58 51.64 3a16 n ASN 252 Cb 0.23 -0.40 -0.07 0.00 -0.61 0.00 0.00 39.78 38.93 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 0.99 -0.59 0.37 7.41 0.00 -1.70 -3.01 103.07 106.55 3a16 h GLY 253 Ca -0.13 0.27 0.15 0.00 0.00 0.00 0.00 47.33 47.62 3a16 h GLY 253 CO 0.06 -0.23 0.61 -2.55 0.00 0.00 0.00 176.54 174.43 3a16 h PRO 254 N -0.56 0.80 -0.25 4.80 0.11 -1.90 0.52 132.00 135.51 3a16 h PRO 254 Ca -0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3a16 h PRO 254 Cb 0.49 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3a16 h PRO 254 CO -0.01 0.53 0.07 0.00 -0.21 0.00 0.00 178.00 178.38 3a16 h ALA 255 N 1.59 1.66 -0.01 -0.75 0.00 -1.91 -3.17 119.26 116.68 3a16 h ALA 255 Ca 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3a16 h ALA 255 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3a16 h ALA 255 CO -0.28 0.27 -0.17 1.33 0.00 0.00 0.00 179.25 180.40 3a16 n VAL 256 N -4.40 0.00 -0.79 0.00 0.24 -0.61 -4.99 118.33 107.77 3a16 n VAL 256 Ca 0.01 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3a16 n VAL 256 Cb 0.15 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 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 0.84 0.73 3.34 7.63 0.00 -0.00 -4.77 105.19 112.96 3a16 n GLY 257 Ca 0.05 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 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 8.79 1.09 -2.70 0.00 0.05 -1.00 -3.36 116.97 119.83 3a16 h TYR 259 Ca -0.29 -0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.37 3a16 h TYR 259 Cb 1.10 -0.36 -0.26 0.00 1.01 0.00 0.00 36.73 38.22 3a16 h TYR 259 CO 0.68 0.73 -0.30 0.45 -1.05 0.00 0.00 178.16 178.67 3a16 s SER 260 N -6.30 -0.48 -0.12 3.88 0.15 -1.09 -4.72 113.70 105.03 3a16 s SER 260 Ca -0.12 0.85 -0.01 0.00 0.70 0.00 0.00 55.95 57.37 3a16 s SER 260 Cb 0.17 0.76 0.03 0.00 -1.71 0.00 0.00 66.02 65.27 3a16 s SER 260 CO 0.81 -0.18 -0.06 0.21 1.20 0.00 0.00 173.24 175.22 3a16 s ASN 261 N 1.07 2.24 -0.08 5.45 2.47 -1.26 -1.38 114.94 123.45 3a16 s ASN 261 Ca -0.07 -0.35 0.03 0.00 0.42 0.00 0.00 52.86 52.89 3a16 s ASN 261 Cb -0.07 -0.79 -0.01 0.00 -1.45 0.00 0.00 41.25 38.93 3a16 s ASN 261 CO -0.09 -0.15 -0.19 -0.13 -3.72 0.00 0.00 177.10 172.83 3a16 s ARG 262 N 1.74 2.86 -0.31 0.43 0.52 0.11 -4.61 118.95 119.70 3a16 s ARG 262 Ca 0.04 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 3a16 s ARG 262 Cb -0.13 -2.37 0.08 0.00 0.52 0.00 0.00 34.95 33.04 3a16 s ARG 262 CO -0.08 0.36 -0.01 0.12 0.02 0.00 0.00 175.30 175.71 3a16 s PHE 263 N -0.07 3.50 0.16 -0.53 5.36 -1.26 -0.80 117.98 124.34 3a16 s PHE 263 Ca -0.04 -2.57 0.09 0.00 -0.96 0.00 0.00 56.93 53.45 3a16 s PHE 263 Cb -0.14 -2.45 -0.04 0.00 -0.34 0.00 0.00 43.02 40.05 3a16 s PHE 263 CO 0.04 -0.91 -0.15 0.14 -1.46 0.00 0.00 175.22 172.89 3a16 s VAL 264 N 1.04 2.92 -0.08 3.12 -7.23 0.38 -4.77 120.40 115.77 3a16 s VAL 264 Ca 0.01 -1.69 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 3a16 s VAL 264 Cb -0.20 -2.41 -0.00 0.00 0.56 0.00 0.00 36.38 34.33 3a16 s VAL 264 CO -0.06 -0.05 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.84 3a16 s ARG 265 N -2.60 2.87 0.48 4.82 6.06 -0.26 -0.79 118.95 129.53 3a16 s ARG 265 Ca 0.22 -0.89 -0.23 0.00 -2.50 0.00 0.00 55.73 52.33 3a16 s ARG 265 Cb -0.09 -2.25 -0.07 0.00 0.06 0.00 0.00 34.95 32.61 3a16 s ARG 265 CO 0.13 0.25 1.28 -0.80 -2.50 0.00 0.00 175.30 173.65 3a16 s ASN 266 N 0.16 5.82 0.19 -2.12 -0.87 0.31 -0.69 114.94 117.73 3a16 s ASN 266 Ca -0.13 2.57 0.06 0.00 -1.57 0.00 0.00 52.86 53.78 3a16 s ASN 266 Cb -0.16 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.25 38.39 3a16 s ASN 266 CO 0.07 -1.18 -0.10 0.27 -2.57 0.00 0.00 177.10 173.59 3a16 s ILE 267 N -1.39 1.38 0.78 0.60 -4.36 0.26 -0.68 121.20 117.81 3a16 s ILE 267 Ca 0.66 -2.12 -0.07 0.00 -0.26 0.00 0.00 60.65 58.86 3a16 s ILE 267 Cb -0.35 -2.01 0.17 0.00 1.25 0.00 0.00 42.46 41.51 3a16 s ILE 267 CO 0.43 -0.62 1.07 -0.90 0.24 0.00 0.00 174.94 175.16 3a16 n ASP 268 N -0.31 0.76 0.22 4.36 5.68 -0.30 -4.38 116.55 122.57 3a16 n ASP 268 Ca -0.09 -1.80 0.15 0.00 -0.50 0.00 0.00 54.79 52.56 3a16 n ASP 268 Cb 0.61 -0.76 0.78 0.00 -1.14 0.00 0.00 41.12 40.62 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 -1.08 0.00 -0.00 2.12 6.09 -1.99 -1.67 117.51 120.98 3a16 h ILE 269 Ca -0.35 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3a16 h ILE 269 Cb 1.13 0.73 0.00 0.00 0.47 0.00 0.00 36.82 39.15 3a16 h ILE 269 CO 0.31 0.00 -0.76 0.47 -3.07 0.00 0.00 178.15 175.10 3a16 n ASP 270 N -2.55 0.95 0.00 2.19 8.00 -1.26 -4.86 116.55 119.01 3a16 n ASP 270 Ca -0.02 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3a16 n ASP 270 Cb 0.08 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 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 1.48 0.65 3.75 0.44 0.00 -0.63 -5.07 105.19 105.83 3a16 n GLY 271 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.88 7.17 0.39 1.61 0.01 -1.26 -4.79 114.94 115.18 3a16 s ASN 272 Ca 0.00 2.30 -0.25 0.00 -0.71 0.00 0.00 52.86 54.20 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 -0.24 1.11 -0.36 -1.51 0.00 0.00 177.10 176.10 3a16 s PHE 273 N -0.86 3.20 0.27 2.20 0.08 -1.26 -1.16 117.98 120.46 3a16 s PHE 273 Ca 0.47 1.61 0.09 0.00 0.12 0.00 0.00 56.93 59.22 3a16 s PHE 273 Cb -0.33 -3.27 -0.04 0.00 -0.57 0.00 0.00 43.02 38.81 3a16 s PHE 273 CO 0.41 -0.95 0.05 -0.51 -0.10 0.00 0.00 175.22 174.13 3a16 s LEU 274 N -2.47 3.32 -0.83 -0.37 1.43 0.15 -4.86 118.68 115.05 3a16 s LEU 274 Ca 0.56 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 3a16 s LEU 274 Cb -0.27 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.15 3a16 s LEU 274 CO 0.34 -0.04 2.72 0.47 0.23 0.00 0.00 176.35 180.06 3a16 n ASP 275 N -0.98 7.14 -3.86 2.29 8.00 -1.26 -4.39 116.55 123.49 3a16 n ASP 275 Ca -0.06 -3.07 -0.12 0.00 0.71 0.00 0.00 54.79 52.25 3a16 n ASP 275 Cb 0.59 -1.32 -0.13 0.00 -0.02 0.00 0.00 41.12 40.23 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 -1.79 1.78 0.11 0.64 1.02 -1.26 -1.75 118.68 117.43 3a16 s LEU 276 Ca 0.59 0.09 -0.03 0.00 0.02 0.00 0.00 54.13 54.80 3a16 s LEU 276 Cb 0.29 0.21 -0.03 0.00 0.02 0.00 0.00 46.19 46.67 3a16 s LEU 276 CO -0.14 -0.04 0.07 -0.94 0.02 0.00 0.00 176.35 175.32 3a16 s SER 277 N -0.06 0.31 0.04 2.29 1.04 0.11 -0.53 113.70 116.90 3a16 s SER 277 Ca -0.01 -1.05 -0.27 0.00 0.48 0.00 0.00 55.95 55.10 3a16 s SER 277 Cb -0.01 0.29 0.07 0.00 0.10 0.00 0.00 66.02 66.47 3a16 s SER 277 CO 0.00 -0.71 0.67 -0.72 0.98 0.00 0.00 173.24 173.46 3a16 s TYR 278 N -3.98 -0.58 0.03 5.02 1.13 0.03 -0.72 117.35 118.28 3a16 s TYR 278 Ca 0.16 0.73 -0.29 0.00 -1.41 0.00 0.00 57.07 56.26 3a16 s TYR 278 Cb 0.07 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 3a16 s TYR 278 CO -0.03 -0.70 0.94 1.21 -2.51 0.00 0.00 175.55 174.46 3a16 s ASN 279 N -1.90 7.37 -0.27 -0.18 3.04 0.35 -0.47 114.94 122.88 3a16 s ASN 279 Ca -0.05 1.65 -0.06 0.00 0.04 0.00 0.00 52.86 54.45 3a16 s ASN 279 Cb -0.00 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.15 3a16 s ASN 279 CO -0.01 -0.17 0.04 -0.63 -3.04 0.00 0.00 177.10 173.29 3a16 s ILE 280 N 0.61 3.73 -0.09 -5.21 1.01 0.02 -1.98 121.20 119.29 3a16 s ILE 280 Ca 0.48 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 3a16 s ILE 280 Cb -0.21 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.42 3a16 s ILE 280 CO 0.27 0.18 -0.02 -0.83 0.00 0.00 0.00 174.94 174.55 3a16 s GLY 281 N 1.48 0.57 -0.25 6.18 0.00 0.11 -0.71 107.32 114.71 3a16 s GLY 281 Ca 0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 44.72 44.39 3a16 s GLY 281 CO 0.01 1.08 0.16 0.30 0.00 0.00 0.00 173.10 174.65 3a16 s HIS 282 N 1.90 3.30 0.09 1.90 3.76 -0.48 -0.43 115.29 125.33 3a16 s HIS 282 Ca 0.05 0.21 0.09 0.00 -0.15 0.00 0.00 55.06 55.26 3a16 s HIS 282 Cb -0.13 -2.29 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 3a16 s HIS 282 CO -0.06 0.03 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.07 3a16 s TRP 283 N 1.16 2.46 0.38 1.40 0.52 0.57 -0.41 118.94 125.02 3a16 s TRP 283 Ca 0.07 -0.31 0.31 0.00 0.02 0.00 0.00 56.10 56.20 3a16 s TRP 283 Cb -0.14 -1.37 1.57 0.00 -1.15 0.00 0.00 33.47 32.39 3a16 s TRP 283 CO 0.05 0.30 2.09 0.00 0.02 0.00 0.00 176.95 179.41 3a16 h ALA 284 N 4.17 1.16 -2.36 0.98 0.00 -1.04 -1.70 119.26 120.47 3a16 h ALA 284 Ca -0.49 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 3a16 h ALA 284 Cb 1.16 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 3a16 h ALA 284 CO 0.45 0.10 0.19 -1.54 0.00 0.00 0.00 179.25 178.45 3a16 s SER 285 N -5.89 -0.62 0.25 0.00 1.04 -1.26 -4.55 113.70 102.67 3a16 s SER 285 Ca -0.02 0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.82 3a16 s SER 285 Cb 0.12 0.56 0.37 0.00 0.10 0.00 0.00 66.02 67.17 3a16 s SER 285 CO 0.55 -0.74 1.85 0.25 0.98 0.00 0.00 173.24 176.13 3a16 h LEU 286 N 2.65 0.86 -0.87 2.42 5.85 -1.81 -2.91 115.31 121.51 3a16 h LEU 286 Ca -0.30 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 3a16 h LEU 286 Cb 1.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3a16 h LEU 286 CO 0.39 0.54 -0.29 -2.24 -0.34 0.00 0.00 178.44 176.49 3a16 h ASP 287 N 0.99 0.51 -0.50 1.25 2.03 -1.95 0.34 116.42 119.09 3a16 h ASP 287 Ca 0.40 -0.19 -0.04 0.00 -0.73 0.00 0.00 57.03 56.48 3a16 h ASP 287 Cb 0.22 -0.14 -0.03 0.00 -0.83 0.00 0.00 39.33 38.56 3a16 h ASP 287 CO -0.19 0.78 0.20 1.56 -1.03 0.00 0.00 179.24 180.56 3a16 h GLN 288 N 0.43 0.81 -0.54 4.15 4.20 -1.85 0.39 115.11 122.71 3a16 h GLN 288 Ca 0.06 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 3a16 h GLN 288 Cb 0.73 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3a16 h GLN 288 CO 0.06 0.68 0.14 1.25 -0.67 0.00 0.00 178.83 180.29 3a16 h LEU 289 N 0.79 0.80 -0.16 1.46 5.85 -1.20 -2.22 115.31 120.64 3a16 h LEU 289 Ca 0.19 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3a16 h LEU 289 Cb 0.19 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3a16 h LEU 289 CO -0.01 0.82 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.52 3a16 h GLU 290 N 0.75 -0.02 -0.44 1.25 5.08 -0.40 -1.99 114.58 118.81 3a16 h GLU 290 Ca 0.17 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3a16 h GLU 290 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3a16 h GLU 290 CO -0.00 -0.01 0.22 0.00 -1.00 0.00 0.00 179.01 178.22 3a16 h ARG 291 N -0.02 0.43 0.02 2.33 2.47 -0.81 -1.82 114.38 116.98 3a16 h ARG 291 Ca 0.08 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3a16 h ARG 291 Cb 0.14 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3a16 h ARG 291 CO -0.18 0.29 -0.01 2.35 0.56 0.00 0.00 179.97 182.98 3a16 h TRP 292 N 0.45 -0.02 -0.87 3.04 7.01 -1.26 -2.40 115.95 121.89 3a16 h TRP 292 Ca 0.19 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.20 3a16 h TRP 292 Cb 0.09 0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 3a16 h TRP 292 CO -0.10 0.09 0.58 0.66 -2.79 0.00 0.00 178.44 176.87 3a16 h SER 293 N -0.13 0.98 0.14 2.65 4.64 -1.05 -1.47 113.55 119.32 3a16 h SER 293 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3a16 h SER 293 Cb 0.12 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3a16 h SER 293 CO 0.00 0.70 -0.11 -1.84 -0.87 0.00 0.00 176.83 174.72 3a16 n GLU 294 N -4.41 1.17 0.00 4.77 0.28 -0.71 -4.38 120.64 117.35 3a16 n GLU 294 Ca 0.10 -0.61 0.00 0.00 -0.16 0.00 0.00 57.16 56.49 3a16 n GLU 294 Cb 0.04 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.43 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 2.26 -4.74 -1.84 3.41 -0.92 -5.02 113.62 106.39 3a16 n SER 295 Ca 0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.36 3a16 n SER 295 Cb 0.32 0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.41 3.47 0.43 7.33 2.46 -0.58 -4.91 115.29 122.08 3a16 s HIS 296 Ca 0.00 1.48 0.12 0.00 0.47 0.00 0.00 55.06 57.13 3a16 s HIS 296 Cb 0.00 -3.39 0.92 0.00 -0.13 0.00 0.00 32.58 29.99 3a16 s HIS 296 CO 0.00 -1.03 1.98 -1.00 -2.47 0.00 0.00 174.74 172.22 3a16 h PRO 297 N 5.12 0.14 0.00 2.88 0.13 -1.95 -1.10 132.00 137.21 3a16 h PRO 297 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3a16 h PRO 297 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3a16 h PRO 297 CO 0.73 0.26 0.00 0.25 -0.23 0.00 0.00 178.00 179.01 3a16 n THR 298 N -4.33 0.00 -0.31 1.56 -2.24 -1.26 -1.10 114.28 106.60 3a16 n THR 298 Ca -0.01 1.39 -0.04 0.00 -2.27 0.00 0.00 64.05 63.12 3a16 n THR 298 Cb 0.23 -2.14 0.08 0.00 -2.10 0.00 0.00 70.33 66.39 3a16 n THR 298 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3a16 h HIS 299 N 0.00 1.11 -0.88 4.78 -0.00 -1.85 -2.63 115.15 115.68 3a16 h HIS 299 Ca 0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.41 3a16 h HIS 299 Cb 0.00 -0.36 -0.05 0.00 -0.00 0.00 0.00 27.41 26.99 3a16 h HIS 299 CO -0.29 0.76 0.58 -0.07 -0.00 0.00 0.00 177.93 178.90 3a16 h LEU 300 N 1.15 0.90 -0.46 0.26 3.38 -1.15 0.63 115.31 120.01 3a16 h LEU 300 Ca 0.29 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 3a16 h LEU 300 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3a16 h LEU 300 CO -0.05 0.60 0.02 -0.09 0.09 0.00 0.00 178.44 179.01 3a16 h ARG 301 N 1.03 0.80 -0.44 1.13 9.65 -0.76 -0.76 114.38 125.04 3a16 h ARG 301 Ca 0.37 -0.24 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 3a16 h ARG 301 Cb 0.14 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3a16 h ARG 301 CO -0.13 0.84 0.21 -0.84 2.80 0.00 0.00 179.97 182.86 3a16 h ILE 302 N 0.66 1.18 -0.30 1.20 3.07 -1.00 -1.98 117.51 120.34 3a16 h ILE 302 Ca 0.13 -0.50 0.06 0.00 1.55 0.00 0.00 64.86 66.10 3a16 h ILE 302 Cb 0.47 0.71 -0.06 0.00 -0.27 0.00 0.00 36.82 37.66 3a16 h ILE 302 CO 0.02 0.19 -0.10 0.15 -1.05 0.00 0.00 178.15 177.36 3a16 h PHE 303 N 0.56 -0.23 -0.61 0.16 3.57 0.43 -1.67 116.94 119.15 3a16 h PHE 303 Ca 0.15 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3a16 h PHE 303 Cb 0.11 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3a16 h PHE 303 CO -0.01 -0.16 0.20 0.00 -2.23 0.00 0.00 178.31 176.11 3a16 h THR 304 N -0.04 1.23 -0.13 4.41 1.03 -1.00 -2.64 112.91 115.77 3a16 h THR 304 Ca 0.15 -0.77 -0.00 0.00 -0.01 0.00 0.00 66.41 65.78 3a16 h THR 304 Cb 0.27 0.54 -0.01 0.00 -1.07 0.00 0.00 68.15 67.88 3a16 h THR 304 CO -0.33 0.30 0.06 0.74 -0.01 0.00 0.00 175.52 176.28 3a16 h THR 305 N 0.89 1.12 -0.13 0.00 2.02 -0.79 -2.63 112.91 113.38 3a16 h THR 305 Ca 0.20 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 67.07 3a16 h THR 305 Cb 0.24 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3a16 h THR 305 CO -0.01 0.11 -0.04 0.15 0.37 0.00 0.00 175.52 176.10 3a16 h PHE 306 N 0.08 -0.09 -0.99 3.16 3.57 -1.15 -1.18 116.94 120.34 3a16 h PHE 306 Ca 0.04 0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.82 3a16 h PHE 306 Cb 0.12 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 3a16 h PHE 306 CO -0.03 -0.07 0.69 0.74 -2.23 0.00 0.00 178.31 177.41 3a16 h PHE 307 N -0.01 0.25 0.14 0.41 -1.00 -1.37 1.28 116.94 116.65 3a16 h PHE 307 Ca 0.06 0.01 -0.29 0.00 2.81 0.00 0.00 57.97 60.57 3a16 h PHE 307 Cb 0.11 -0.08 0.01 0.00 3.61 0.00 0.00 35.95 39.60 3a16 h PHE 307 CO -0.18 0.04 -1.31 -0.09 -1.61 0.00 0.00 178.31 175.17 3a16 h ARG 308 N 0.17 0.30 0.02 1.51 2.43 -0.88 -3.39 114.38 114.55 3a16 h ARG 308 Ca 0.50 -0.52 -0.32 0.00 -0.81 0.00 0.00 59.98 58.83 3a16 h ARG 308 Cb 1.68 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 31.38 3a16 h ARG 308 CO -0.11 1.24 -1.75 1.33 -1.51 0.00 0.00 179.97 179.18 3a16 n VAL 309 N -3.55 1.58 0.00 0.20 0.24 -0.23 -4.51 118.33 112.06 3a16 n VAL 309 Ca -0.10 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3a16 n VAL 309 Cb 1.04 -1.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.49 3a16 n VAL 309 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a16 n ALA 310 N -3.51 0.00 -0.05 2.33 0.00 0.43 0.22 120.51 119.92 3a16 n ALA 310 Ca -0.38 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 3a16 n ALA 310 Cb 0.81 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.24 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 0.28 0.00 0.00 0.00 -1.82 -3.10 119.26 114.62 3a16 h ALA 311 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a16 h ALA 311 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3a16 h ALA 311 CO 0.00 -0.28 -0.58 0.41 0.00 0.00 0.00 179.25 178.80 3a16 n GLY 312 N -1.16 -1.42 3.67 0.00 0.00 0.59 -4.91 105.19 101.97 3a16 n GLY 312 Ca -0.02 -0.24 -0.48 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 -2.06 3.15 0.00 0.99 4.77 -1.16 -4.85 117.00 117.84 3a16 n LEU 313 Ca 0.04 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 3a16 n LEU 313 Cb 0.43 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 3a16 n LEU 313 CO 0.36 -0.22 -0.46 -1.54 -1.33 0.00 0.00 177.39 174.19 3a16 n SER 314 N 5.07 4.14 0.00 -1.43 3.41 -1.26 -4.94 113.62 118.61 3a16 n SER 314 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3a16 n SER 314 Cb 0.28 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.18 0.97 -1.46 4.33 5.02 -1.26 -5.04 118.16 118.53 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 0.46 -0.86 0.04 0.00 -0.02 0.00 0.00 35.03 34.66 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 -2.00 0.77 -3.73 -0.35 7.94 -1.26 -4.57 117.00 113.80 3a16 n LEU 316 Ca 0.00 0.73 -0.26 0.00 -1.11 0.00 0.00 56.01 55.37 3a16 n LEU 316 Cb 0.36 -1.17 -0.17 0.00 0.53 0.00 0.00 43.42 42.97 3a16 n LEU 316 CO 0.00 -3.06 -0.37 -0.13 -1.11 0.00 0.00 177.39 172.72 3a16 s ARG 317 N -2.10 0.59 -0.02 1.96 0.52 0.20 -4.98 118.95 115.12 3a16 s ARG 317 Ca 0.69 -0.26 0.08 0.00 -0.52 0.00 0.00 55.73 55.72 3a16 s ARG 317 Cb -0.44 -1.80 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 3a16 s ARG 317 CO 0.54 -0.56 -0.26 -0.51 0.02 0.00 0.00 175.30 174.54 3a16 s LEU 318 N 1.91 2.06 0.24 2.53 1.43 -1.26 -0.26 118.68 125.33 3a16 s LEU 318 Ca 0.01 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 3a16 s LEU 318 Cb -0.16 -1.33 0.04 0.00 0.03 0.00 0.00 46.19 44.77 3a16 s LEU 318 CO -0.07 0.31 0.73 -0.72 0.23 0.00 0.00 176.35 176.83 3a16 s TYR 319 N -0.62 -0.25 0.11 0.29 1.13 -1.05 -1.23 117.35 115.73 3a16 s TYR 319 Ca 0.10 -0.14 -0.08 0.00 -1.41 0.00 0.00 57.07 55.53 3a16 s TYR 319 Cb -0.10 0.67 -0.01 0.00 -1.10 0.00 0.00 41.96 41.43 3a16 s TYR 319 CO -0.01 -1.11 0.21 -3.38 -2.51 0.00 0.00 175.55 168.75 3a16 s HIS 320 N -3.81 0.26 -0.02 -3.49 -3.43 0.07 -1.38 115.29 103.50 3a16 s HIS 320 Ca 0.09 -0.67 0.04 0.00 -0.80 0.00 0.00 55.06 53.72 3a16 s HIS 320 Cb -0.05 -0.08 -0.01 0.00 -1.43 0.00 0.00 32.58 31.01 3a16 s HIS 320 CO 0.03 -0.59 -0.14 -1.83 -2.00 0.00 0.00 174.74 170.21 3a16 s GLU 321 N -3.90 1.20 -0.03 -0.38 -1.05 0.32 -1.17 118.70 113.68 3a16 s GLU 321 Ca 0.09 -0.49 0.03 0.00 -0.15 0.00 0.00 54.97 54.46 3a16 s GLU 321 Cb 0.05 -1.13 0.00 0.00 -0.44 0.00 0.00 34.13 32.61 3a16 s GLU 321 CO -0.07 0.27 -0.11 0.08 0.95 0.00 0.00 175.26 176.37 3a16 s VAL 322 N -0.20 0.98 0.12 1.83 1.01 -0.11 -0.97 120.40 123.05 3a16 s VAL 322 Ca 0.03 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.63 3a16 s VAL 322 Cb -0.07 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3a16 s VAL 322 CO -0.00 0.30 -0.22 -0.44 0.00 0.00 0.00 175.10 174.74 3a16 s SER 323 N 0.16 2.73 0.25 3.32 0.01 0.22 -0.79 113.70 119.60 3a16 s SER 323 Ca -0.04 -0.72 0.11 0.00 1.31 0.00 0.00 55.95 56.61 3a16 s SER 323 Cb -0.10 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 3a16 s SER 323 CO 0.01 0.07 -0.19 0.68 0.41 0.00 0.00 173.24 174.22 3a16 s VAL 324 N -1.25 2.27 0.00 3.43 -7.23 -0.02 -0.35 120.40 117.24 3a16 s VAL 324 Ca 0.09 -2.29 0.01 0.00 -1.81 0.00 0.00 61.98 57.97 3a16 s VAL 324 Cb -0.09 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 3a16 s VAL 324 CO 0.05 -0.40 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.05 3a16 s PHE 325 N -2.48 0.22 0.72 2.82 0.08 -1.04 -4.62 117.98 113.68 3a16 s PHE 325 Ca 0.26 -0.12 -0.16 0.00 0.12 0.00 0.00 56.93 57.04 3a16 s PHE 325 Cb -0.04 -0.14 0.02 0.00 -0.57 0.00 0.00 43.02 42.28 3a16 s PHE 325 CO 0.12 -0.03 1.07 -0.25 -0.10 0.00 0.00 175.22 176.03 3a16 n ASP 326 N 2.77 0.87 -0.30 1.36 8.00 -1.26 -0.02 116.55 127.97 3a16 n ASP 326 Ca -0.14 0.68 0.08 0.00 0.71 0.00 0.00 54.79 56.12 3a16 n ASP 326 Cb 0.59 -1.45 0.24 0.00 -0.02 0.00 0.00 41.12 40.48 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 -0.21 1.31 0.00 2.24 0.00 -1.87 -2.04 119.26 118.69 3a16 h ALA 327 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3a16 h ALA 327 Cb 1.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3a16 h ALA 327 CO 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3a16 n ALA 328 N -2.44 1.86 -1.30 0.00 0.00 -1.26 -3.97 120.51 113.39 3a16 n ALA 328 Ca 0.18 0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.41 3a16 n ALA 328 Cb 0.48 -1.42 0.14 0.00 0.00 0.00 0.00 19.45 18.65 3a16 n ALA 328 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a16 n ASP 329 N -2.29 5.28 -3.84 0.00 8.00 -0.76 -4.89 116.55 118.03 3a16 n ASP 329 Ca 0.03 -3.69 -0.12 0.00 0.71 0.00 0.00 54.79 51.72 3a16 n ASP 329 Cb 0.30 -0.87 -0.11 0.00 -0.02 0.00 0.00 41.12 40.42 3a16 n ASP 329 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3a16 s GLN 330 N -3.51 0.36 -0.15 -1.24 -0.21 -1.25 -0.83 119.66 112.83 3a16 s GLN 330 Ca 0.59 -0.11 -0.09 0.00 0.02 0.00 0.00 55.36 55.77 3a16 s GLN 330 Cb 0.49 0.16 0.05 0.00 1.00 0.00 0.00 33.01 34.70 3a16 s GLN 330 CO 0.05 -0.08 0.36 -1.17 -2.12 0.00 0.00 175.29 172.34 3a16 s LEU 331 N -0.72 0.21 -0.25 2.90 2.96 0.06 -4.51 118.68 119.32 3a16 s LEU 331 Ca -0.08 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 3a16 s LEU 331 Cb -0.05 1.18 0.06 0.00 0.50 0.00 0.00 46.19 47.88 3a16 s LEU 331 CO 0.01 -0.17 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.51 3a16 s TYR 332 N 1.06 2.59 -0.03 5.38 2.02 -0.84 -0.68 117.35 126.86 3a16 s TYR 332 Ca -0.07 -1.91 0.05 0.00 -0.37 0.00 0.00 57.07 54.76 3a16 s TYR 332 Cb -0.07 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.76 3a16 s TYR 332 CO -0.08 -0.80 -0.15 -1.21 -1.57 0.00 0.00 175.55 171.73 3a16 s GLU 333 N 1.33 2.39 0.02 -0.62 2.02 0.24 -0.45 118.70 123.63 3a16 s GLU 333 Ca -0.05 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.20 3a16 s GLU 333 Cb -0.19 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.70 3a16 s GLU 333 CO -0.07 0.60 -0.09 0.71 0.02 0.00 0.00 175.26 176.44 3a16 s TYR 334 N -0.77 0.80 -0.14 1.61 1.51 0.75 -0.93 117.35 120.19 3a16 s TYR 334 Ca 0.12 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.86 3a16 s TYR 334 Cb -0.11 -0.49 0.04 0.00 -0.11 0.00 0.00 41.96 41.30 3a16 s TYR 334 CO 0.02 -0.02 0.01 0.42 -1.11 0.00 0.00 175.55 174.87 3a16 s ILE 335 N -0.73 0.52 -1.41 2.71 1.01 0.54 -0.64 121.20 123.20 3a16 s ILE 335 Ca -0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 3a16 s ILE 335 Cb -0.06 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.60 3a16 s ILE 335 CO 0.00 0.04 0.51 0.59 0.00 0.00 0.00 174.94 176.08 3a16 n ASN 336 N 5.08 -4.91 -4.91 3.58 3.02 -0.34 -0.62 115.26 116.15 3a16 n ASN 336 Ca -0.09 -0.30 -0.28 0.00 -0.03 0.00 0.00 54.58 53.89 3a16 n ASN 336 Cb 0.49 -4.02 -0.03 0.00 -0.61 0.00 0.00 39.78 35.61 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 -2.20 2.50 0.23 0.00 -3.43 -1.26 -4.81 115.29 106.31 3a16 s HIS 338 Ca 0.44 1.54 0.26 0.00 -0.80 0.00 0.00 55.06 56.51 3a16 s HIS 338 Cb -0.10 -3.34 1.44 0.00 -1.43 0.00 0.00 32.58 29.14 3a16 s HIS 338 CO 0.32 -1.92 1.78 -1.35 -2.00 0.00 0.00 174.74 171.57 3a16 h PRO 339 N 0.63 0.00 -0.27 -0.38 0.11 -1.96 -1.75 132.00 128.38 3a16 h PRO 339 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 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 0.55 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 3a16 n GLY 340 N -1.23 1.02 3.68 -0.55 0.00 -1.26 -2.73 105.19 104.12 3a16 n GLY 340 Ca -0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.65 3.99 0.00 2.61 2.01 -0.66 -4.41 115.64 117.52 3a16 s THR 341 Ca 0.35 1.33 0.00 0.00 0.31 0.00 0.00 61.69 63.68 3a16 s THR 341 Cb 0.20 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.86 3a16 s THR 341 CO 0.29 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 3a16 n GLY 342 N 3.55 3.22 0.00 4.40 0.00 -1.26 -0.92 105.19 114.18 3a16 n GLY 342 Ca 0.12 0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.48 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 0.39 0.10 1.61 2.81 -1.26 -3.66 117.12 131.11 3a16 n MET 343 Ca 0.00 0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.87 3a16 n MET 343 Cb 0.00 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.19 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 0.20 0.04 4.03 3.38 -1.29 -2.86 115.31 118.80 3a16 h LEU 344 Ca 0.00 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3a16 h LEU 344 Cb 0.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3a16 h LEU 344 CO 0.00 0.69 -0.13 -0.09 0.09 0.00 0.00 178.44 179.00 3a16 h ARG 345 N 0.14 -0.23 -0.00 1.13 2.43 -1.58 -3.32 114.38 112.95 3a16 h ARG 345 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3a16 h ARG 345 Cb 0.97 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3a16 h ARG 345 CO 0.08 -0.15 -0.68 -0.25 -1.51 0.00 0.00 179.97 177.45 3a16 n ASP 346 N -5.26 1.05 -4.77 -3.80 8.00 -1.24 -4.99 116.55 105.54 3a16 n ASP 346 Ca -0.06 -1.02 -0.40 0.00 0.71 0.00 0.00 54.79 54.01 3a16 n ASP 346 Cb 0.18 0.86 -0.02 0.00 -0.02 0.00 0.00 41.12 42.12 3a16 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a16 s ALA 347 N -2.44 3.44 -0.02 2.24 0.00 -1.08 -4.91 121.76 118.98 3a16 s ALA 347 Ca 0.09 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 3a16 s ALA 347 Cb 0.13 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3a16 s ALA 347 CO 0.63 -0.71 1.12 0.14 0.00 0.00 0.00 175.76 176.93 3a16 s VAL 348 N -1.17 4.43 0.82 0.00 -7.23 0.90 -4.77 120.40 113.38 3a16 s VAL 348 Ca 0.51 1.74 -0.12 0.00 -1.81 0.00 0.00 61.98 62.30 3a16 s VAL 348 Cb -0.40 -4.12 0.08 0.00 0.56 0.00 0.00 36.38 32.51 3a16 s VAL 348 CO 0.52 0.07 1.10 0.42 -0.31 0.00 0.00 175.10 176.91 3a16 s THR 349 N 1.58 2.88 0.36 5.32 -4.23 -1.26 -0.62 115.64 119.66 3a16 s THR 349 Ca 0.54 0.28 0.07 0.00 -1.18 0.00 0.00 61.69 61.41 3a16 s THR 349 Cb -0.24 -3.03 0.17 0.00 1.34 0.00 0.00 72.50 70.74 3a16 s THR 349 CO 0.25 -0.37 1.91 0.40 -0.54 0.00 0.00 174.62 176.27 3a16 h ILE 350 N -1.17 1.18 -0.17 2.99 2.04 -1.86 -2.37 117.51 118.15 3a16 h ILE 350 Ca -0.48 -0.71 -0.13 0.00 1.00 0.00 0.00 64.86 64.55 3a16 h ILE 350 Cb 1.28 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 3a16 h ILE 350 CO 0.60 0.24 -0.38 0.00 0.00 0.00 0.00 178.15 178.60 3a16 h ALA 351 N 1.58 0.27 -0.35 1.87 0.00 -1.96 -3.35 119.26 117.32 3a16 h ALA 351 Ca 0.09 -0.45 0.10 0.00 0.00 0.00 0.00 54.91 54.65 3a16 h ALA 351 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3a16 h ALA 351 CO 0.01 0.36 0.27 0.93 0.00 0.00 0.00 179.25 180.82 3a16 h GLU 352 N 0.20 0.00 0.00 0.00 5.08 -1.79 -3.55 114.58 114.52 3a16 h GLU 352 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a16 h GLU 352 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3a16 h GLU 352 CO 0.08 0.00 0.00 -2.39 -1.00 0.00 0.00 179.01 175.70