#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a15 s GLU 2 N 0.00 3.37 0.16 0.03 2.02 -1.23 -4.83 118.70 118.21 3a15 s GLU 2 Ca 0.00 1.91 -0.10 0.00 0.02 0.00 0.00 54.97 56.79 3a15 s GLU 2 Cb 0.00 -2.22 -0.07 0.00 0.10 0.00 0.00 34.13 31.94 3a15 s GLU 2 CO 0.00 -0.91 0.49 0.45 0.02 0.00 0.00 175.26 175.32 3a15 s SER 3 N -1.33 6.67 0.54 -0.19 0.15 -1.26 -1.64 113.70 116.64 3a15 s SER 3 Ca 0.70 0.90 0.30 0.00 0.70 0.00 0.00 55.95 58.54 3a15 s SER 3 Cb -0.32 -2.22 1.55 0.00 -1.71 0.00 0.00 66.02 63.33 3a15 s SER 3 CO 0.37 0.05 2.10 0.00 1.20 0.00 0.00 173.24 176.97 3a15 h ALA 4 N 3.16 1.24 -2.38 5.45 0.00 -1.93 -3.42 119.26 121.38 3a15 h ALA 4 Ca -0.48 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 53.76 3a15 h ALA 4 Cb 1.18 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 3a15 h ALA 4 CO 0.68 0.11 0.37 0.42 0.00 0.00 0.00 179.25 180.84 3a15 s ILE 5 N -4.17 4.89 0.45 0.00 1.01 -1.26 -4.98 121.20 117.14 3a15 s ILE 5 Ca -0.03 1.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.94 3a15 s ILE 5 Cb 0.13 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 3a15 s ILE 5 CO 0.56 0.01 1.26 0.61 0.00 0.00 0.00 174.94 177.38 3a15 n GLY 6 N 3.58 0.50 0.26 6.18 0.00 -1.26 -4.82 105.19 109.62 3a15 n GLY 6 Ca 0.04 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.25 3a15 n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a15 h GLU 7 N 1.85 0.23 0.00 1.61 4.81 -1.93 -0.17 114.58 120.98 3a15 h GLU 7 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3a15 h GLU 7 Cb 1.30 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3a15 h GLU 7 CO 0.59 0.15 0.00 -2.39 -0.73 0.00 0.00 179.01 176.63 3a15 n HIS 8 N -5.18 0.35 0.84 0.92 1.44 -1.26 -2.55 115.22 109.77 3a15 n HIS 8 Ca 0.13 0.13 0.10 0.00 -2.01 0.00 0.00 57.72 56.07 3a15 n HIS 8 Cb 0.44 -0.72 0.07 0.00 0.12 0.00 0.00 29.99 29.90 3a15 n HIS 8 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3a15 n LEU 9 N -1.82 2.56 -4.74 2.39 4.77 -0.09 -4.96 117.00 115.11 3a15 n LEU 9 Ca 0.03 -0.97 -0.41 0.00 -0.03 0.00 0.00 56.01 54.64 3a15 n LEU 9 Cb 0.20 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3a15 n LEU 9 CO 0.17 0.44 0.74 -1.10 -1.33 0.00 0.00 177.39 176.31 3a15 s GLN 10 N -1.75 4.68 0.22 3.23 -0.21 -1.06 -4.94 119.66 119.83 3a15 s GLN 10 Ca 0.22 1.63 -0.07 0.00 0.02 0.00 0.00 55.36 57.16 3a15 s GLN 10 Cb 0.17 -3.29 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 3a15 s GLN 10 CO 0.28 0.21 0.31 0.00 -2.12 0.00 0.00 175.29 173.98 3a15 n PRO 12 N -0.33 2.37 -2.72 0.00 -0.02 -1.26 -4.94 135.00 128.09 3a15 n PRO 12 Ca -0.00 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 61.93 3a15 n PRO 12 Cb 0.64 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 3a15 n PRO 12 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3a15 s ARG 13 N 2.54 4.70 -0.01 -0.52 0.52 -1.26 -4.86 118.95 120.06 3a15 s ARG 13 Ca 0.84 1.46 0.10 0.00 -0.52 0.00 0.00 55.73 57.61 3a15 s ARG 13 Cb -0.62 -3.37 -0.13 0.00 0.52 0.00 0.00 34.95 31.34 3a15 s ARG 13 CO 0.42 0.21 0.29 0.25 0.02 0.00 0.00 175.30 176.49 3a15 n THR 14 N 2.78 0.00 -5.07 0.02 -2.24 -0.43 -4.95 114.28 104.38 3a15 n THR 14 Ca 0.02 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 3a15 n THR 14 Cb 0.49 0.58 -0.16 0.00 -2.10 0.00 0.00 70.33 69.14 3a15 n THR 14 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a15 s LEU 15 N -3.17 2.32 0.32 3.22 1.43 -0.60 -4.98 118.68 117.22 3a15 s LEU 15 Ca -0.01 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3a15 s LEU 15 Cb 0.07 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 3a15 s LEU 15 CO 0.40 0.20 0.46 0.42 0.23 0.00 0.00 176.35 178.06 3a15 s THR 16 N 0.15 4.58 1.01 5.49 -4.23 -1.26 -4.72 115.64 116.65 3a15 s THR 16 Ca -0.11 -0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 59.37 3a15 s THR 16 Cb -0.16 -3.62 0.19 0.00 1.34 0.00 0.00 72.50 70.25 3a15 s THR 16 CO 0.06 -0.28 1.17 -0.13 -0.54 0.00 0.00 174.62 174.90 3a15 s ARG 17 N -4.17 0.35 0.00 3.99 0.52 -1.26 -4.99 118.95 113.40 3a15 s ARG 17 Ca 0.41 0.06 0.24 0.00 -0.52 0.00 0.00 55.73 55.92 3a15 s ARG 17 Cb -0.09 -1.77 0.24 0.00 0.52 0.00 0.00 34.95 33.85 3a15 s ARG 17 CO 0.32 -2.68 1.27 2.89 0.02 0.00 0.00 175.30 177.11 3a15 n ARG 18 N -4.06 1.89 -4.30 3.54 1.85 -1.26 -4.91 116.66 109.41 3a15 n ARG 18 Ca 0.10 -1.52 -0.24 0.00 -1.00 0.00 0.00 57.85 55.19 3a15 n ARG 18 Cb 0.59 -1.47 -0.12 0.00 -1.05 0.00 0.00 32.46 30.41 3a15 n ARG 18 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3a15 s VAL 19 N -2.16 1.77 0.99 8.89 -7.23 -1.26 -5.15 120.40 116.25 3a15 s VAL 19 Ca 0.26 -1.59 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 3a15 s VAL 19 Cb 0.20 -1.62 0.18 0.00 0.56 0.00 0.00 36.38 35.70 3a15 s VAL 19 CO 0.39 -0.06 1.08 -2.16 -0.31 0.00 0.00 175.10 174.04 3a15 s PRO 20 N -1.98 0.53 0.39 4.82 0.04 -1.26 -4.92 135.00 132.62 3a15 s PRO 20 Ca 0.08 0.73 0.28 0.00 0.04 0.00 0.00 61.00 62.13 3a15 s PRO 20 Cb -0.10 -1.73 1.33 0.00 0.04 0.00 0.00 34.50 34.04 3a15 s PRO 20 CO 0.05 -2.72 1.85 -0.44 0.04 0.00 0.00 177.00 175.77 3a15 h ASP 21 N -1.89 0.00 0.63 6.66 3.32 -2.01 -2.07 116.42 121.06 3a15 h ASP 21 Ca -0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3a15 h ASP 21 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3a15 h ASP 21 CO 0.54 0.00 -0.12 0.35 -1.72 0.00 0.00 179.24 178.30 3a15 n THR 22 N -2.53 0.00 -1.65 0.35 -2.24 -1.26 -4.91 114.28 102.04 3a15 n THR 22 Ca 0.00 -0.02 -0.45 0.00 -2.27 0.00 0.00 64.05 61.31 3a15 n THR 22 Cb 0.16 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 3a15 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a15 n TYR 23 N -1.28 1.91 -4.25 4.78 9.36 -0.78 -5.01 117.16 121.90 3a15 n TYR 23 Ca 0.11 0.53 -0.25 0.00 3.32 0.00 0.00 57.90 61.60 3a15 n TYR 23 Cb 0.30 -2.39 -0.17 0.00 -0.63 0.00 0.00 39.34 36.45 3a15 n TYR 23 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 3a15 s THR 24 N -0.38 1.06 0.58 2.97 -1.32 -1.26 -5.03 115.64 112.26 3a15 s THR 24 Ca 0.66 -0.38 -0.17 0.00 -1.21 0.00 0.00 61.69 60.59 3a15 s THR 24 Cb -0.68 -1.02 -0.04 0.00 -1.51 0.00 0.00 72.50 69.25 3a15 s THR 24 CO 0.53 0.36 1.09 -2.16 -2.21 0.00 0.00 174.62 172.23 3a15 s PRO 25 N 1.16 3.26 0.01 7.08 0.04 -1.26 -4.94 135.00 140.34 3a15 s PRO 25 Ca -0.05 1.42 0.28 0.00 0.04 0.00 0.00 61.00 62.69 3a15 s PRO 25 Cb -0.14 -2.01 1.04 0.00 0.04 0.00 0.00 34.50 33.43 3a15 s PRO 25 CO -0.02 -0.89 1.79 -0.35 0.04 0.00 0.00 177.00 177.57 3a15 n PRO 26 N -1.73 0.01 -3.75 0.56 -0.04 -1.26 -4.86 135.00 123.94 3a15 n PRO 26 Ca 0.10 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 3a15 n PRO 26 Cb 0.52 -1.51 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 3a15 n PRO 26 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a15 s PHE 27 N -3.00 -0.10 0.26 0.54 -0.12 -1.26 -5.16 117.98 109.13 3a15 s PHE 27 Ca 0.13 -0.06 -0.27 0.00 -0.05 0.00 0.00 56.93 56.69 3a15 s PHE 27 Cb 0.18 0.10 -0.09 0.00 -0.63 0.00 0.00 43.02 42.59 3a15 s PHE 27 CO 0.58 -0.52 0.89 -1.25 -0.05 0.00 0.00 175.22 174.86 3a15 s PRO 28 N -2.71 4.64 0.11 1.99 0.04 -1.26 -5.01 135.00 132.80 3a15 s PRO 28 Ca -0.04 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 62.29 3a15 s PRO 28 Cb -0.00 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 3a15 s PRO 28 CO -0.04 0.43 0.03 -1.64 0.04 0.00 0.00 177.00 175.81 3a15 s MET 29 N -1.59 0.86 0.17 4.56 -1.94 -1.26 -4.92 119.30 115.17 3a15 s MET 29 Ca 0.44 -1.39 0.04 0.00 -1.71 0.00 0.00 55.69 53.07 3a15 s MET 29 Cb -0.22 0.21 -0.05 0.00 2.01 0.00 0.00 34.83 36.78 3a15 s MET 29 CO 0.27 -0.22 -0.06 -1.58 -0.01 0.00 0.00 175.02 173.42 3a15 s TRP 30 N -4.00 1.33 0.18 -0.03 0.51 -0.45 -1.87 118.94 114.62 3a15 s TRP 30 Ca 0.20 -0.84 0.02 0.00 -2.12 0.00 0.00 56.10 53.36 3a15 s TRP 30 Cb 0.08 -0.72 -0.05 0.00 -0.81 0.00 0.00 33.47 31.97 3a15 s TRP 30 CO -0.01 0.01 -0.01 0.14 -0.51 0.00 0.00 176.95 176.57 3a15 s VAL 31 N -3.40 0.79 0.39 4.03 -7.23 -1.26 -0.70 120.40 113.03 3a15 s VAL 31 Ca 0.21 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.14 3a15 s VAL 31 Cb 0.04 -2.13 -0.09 0.00 0.56 0.00 0.00 36.38 34.75 3a15 s VAL 31 CO 0.03 -0.47 1.03 -0.83 -0.31 0.00 0.00 175.10 174.55 3a15 s GLY 32 N -3.20 2.72 -0.01 2.32 0.00 -1.26 -0.99 107.32 106.90 3a15 s GLY 32 Ca 0.24 0.66 0.08 0.00 0.00 0.00 0.00 44.72 45.70 3a15 s GLY 32 CO 0.04 1.08 -0.25 0.50 0.00 0.00 0.00 173.10 174.47 3a15 s ARG 33 N -2.49 2.07 -0.05 2.90 1.81 0.09 -4.83 118.95 118.45 3a15 s ARG 33 Ca 0.57 -0.96 -0.16 0.00 -1.72 0.00 0.00 55.73 53.47 3a15 s ARG 33 Cb -0.21 -2.05 0.03 0.00 -0.45 0.00 0.00 34.95 32.28 3a15 s ARG 33 CO 0.26 0.55 0.36 0.00 -0.68 0.00 0.00 175.30 175.79 3a15 s ALA 34 N -0.66 -0.91 0.75 2.13 0.00 -1.26 0.24 121.76 122.04 3a15 s ALA 34 Ca 0.11 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3a15 s ALA 34 Cb -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3a15 s ALA 34 CO -0.00 -0.25 0.00 -0.40 0.00 0.00 0.00 175.76 175.11 3a15 n ASP 35 N 1.62 0.00 0.00 0.00 5.68 -1.26 -4.92 116.55 117.66 3a15 n ASP 35 Ca -0.19 -0.92 0.09 0.00 -0.50 0.00 0.00 54.79 53.27 3a15 n ASP 35 Cb 0.56 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.05 3a15 n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3a15 n ASP 36 N -2.76 0.00 0.22 -1.12 5.75 -1.26 -2.13 116.55 115.25 3a15 n ASP 36 Ca 0.00 -0.16 0.10 0.00 -0.01 0.00 0.00 54.79 54.73 3a15 n ASP 36 Cb 0.00 -0.21 0.47 0.00 -1.03 0.00 0.00 41.12 40.36 3a15 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a15 h ALA 37 N 2.99 1.03 -1.83 2.12 0.00 -2.01 -3.39 119.26 118.17 3a15 h ALA 37 Ca 0.00 -0.20 -0.68 0.00 0.00 0.00 0.00 54.91 54.03 3a15 h ALA 37 Cb 0.13 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.70 3a15 h ALA 37 CO 0.00 0.27 0.24 -1.17 0.00 0.00 0.00 179.25 178.59 3a15 s LEU 38 N -6.78 5.11 -0.24 0.00 2.96 -0.90 -4.85 118.68 113.97 3a15 s LEU 38 Ca 0.00 -1.31 0.04 0.00 -0.22 0.00 0.00 54.13 52.64 3a15 s LEU 38 Cb 0.10 -2.34 -0.19 0.00 0.50 0.00 0.00 46.19 44.27 3a15 s LEU 38 CO 0.63 -1.21 -0.13 1.67 -1.32 0.00 0.00 176.35 176.00 3a15 n GLN 39 N 6.72 0.66 -3.63 1.98 -0.06 -1.26 -4.63 117.38 117.17 3a15 n GLN 39 Ca -0.08 0.14 -0.04 0.00 -2.00 0.00 0.00 57.00 55.02 3a15 n GLN 39 Cb 0.43 -1.54 -0.06 0.00 -4.06 0.00 0.00 30.24 25.01 3a15 n GLN 39 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 3a15 s GLN 40 N -2.52 0.61 0.37 3.69 0.74 -1.26 -1.25 119.66 120.03 3a15 s GLN 40 Ca -0.30 1.20 0.04 0.00 0.05 0.00 0.00 55.36 56.35 3a15 s GLN 40 Cb 0.08 0.36 -0.01 0.00 1.10 0.00 0.00 33.01 34.55 3a15 s GLN 40 CO 0.65 -0.15 0.53 0.14 -0.55 0.00 0.00 175.29 175.91 3a15 s VAL 41 N 2.02 4.18 -0.11 1.34 -7.23 -0.66 -3.40 120.40 116.53 3a15 s VAL 41 Ca -0.08 -0.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.31 3a15 s VAL 41 Cb -0.07 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.39 3a15 s VAL 41 CO -0.19 -0.24 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.47 3a15 s VAL 42 N -2.29 1.84 -0.32 1.32 1.01 -0.59 -3.35 120.40 118.02 3a15 s VAL 42 Ca 0.45 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3a15 s VAL 42 Cb -0.10 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.69 3a15 s VAL 42 CO 0.33 0.51 0.07 -0.04 0.00 0.00 0.00 175.10 175.97 3a15 s MET 43 N 0.69 2.66 -0.33 2.72 -1.94 0.43 -1.26 119.30 122.26 3a15 s MET 43 Ca -0.11 -1.14 -0.02 0.00 -1.71 0.00 0.00 55.69 52.71 3a15 s MET 43 Cb -0.16 -3.36 0.07 0.00 2.01 0.00 0.00 34.83 33.39 3a15 s MET 43 CO 0.02 -0.61 0.06 0.20 -0.01 0.00 0.00 175.02 174.68 3a15 s GLY 44 N 1.38 1.83 -0.34 -0.03 0.00 0.29 -1.58 107.32 108.87 3a15 s GLY 44 Ca -0.02 -2.00 -0.18 0.00 0.00 0.00 0.00 44.72 42.52 3a15 s GLY 44 CO 0.01 0.80 0.50 -0.19 0.00 0.00 0.00 173.10 174.22 3a15 s TYR 45 N 1.21 3.19 -0.23 1.90 1.51 -0.40 -0.52 117.35 124.01 3a15 s TYR 45 Ca -0.01 0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 56.27 3a15 s TYR 45 Cb -0.20 -2.88 0.02 0.00 -0.11 0.00 0.00 41.96 38.79 3a15 s TYR 45 CO -0.02 -0.50 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.31 3a15 s LEU 46 N 2.36 2.95 0.13 -1.29 1.02 0.16 -0.86 118.68 123.15 3a15 s LEU 46 Ca 0.18 -0.83 0.09 0.00 0.02 0.00 0.00 54.13 53.59 3a15 s LEU 46 Cb -0.16 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.40 3a15 s LEU 46 CO 0.13 -0.10 -0.14 -0.83 0.02 0.00 0.00 176.35 175.43 3a15 s GLY 47 N 1.31 1.73 -0.07 -3.19 0.00 0.51 -0.25 107.32 107.35 3a15 s GLY 47 Ca 0.01 -1.37 0.04 0.00 0.00 0.00 0.00 44.72 43.39 3a15 s GLY 47 CO -0.06 -1.36 -0.18 0.14 0.00 0.00 0.00 173.10 171.64 3a15 s VAL 48 N -1.32 1.53 -0.01 1.40 1.01 0.77 -1.64 120.40 122.13 3a15 s VAL 48 Ca 0.20 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.52 3a15 s VAL 48 Cb -0.10 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3a15 s VAL 48 CO 0.12 0.44 -0.22 -1.58 0.00 0.00 0.00 175.10 173.86 3a15 s GLN 49 N 0.35 1.77 0.09 2.72 0.74 0.78 -0.33 119.66 125.77 3a15 s GLN 49 Ca -0.12 -0.80 -0.18 0.00 0.05 0.00 0.00 55.36 54.31 3a15 s GLN 49 Cb -0.15 -1.72 0.04 0.00 1.10 0.00 0.00 33.01 32.28 3a15 s GLN 49 CO 0.05 0.47 0.42 -0.59 -0.55 0.00 0.00 175.29 175.09 3a15 s PHE 50 N -0.54 -0.26 -0.15 1.67 -0.71 -0.25 -0.25 117.98 117.49 3a15 s PHE 50 Ca 0.08 0.08 0.01 0.00 -1.04 0.00 0.00 56.93 56.06 3a15 s PHE 50 Cb -0.09 0.26 -0.10 0.00 -1.21 0.00 0.00 43.02 41.89 3a15 s PHE 50 CO -0.01 -0.65 -0.14 -2.13 -1.34 0.00 0.00 175.22 170.95 3a15 n ARG 51 N 0.09 0.37 -4.21 1.99 0.63 -1.26 -0.09 116.66 114.18 3a15 n ARG 51 Ca -0.17 0.09 -0.32 0.00 -0.92 0.00 0.00 57.85 56.53 3a15 n ARG 51 Cb 0.62 -1.29 -0.08 0.00 0.45 0.00 0.00 32.46 32.16 3a15 n ARG 51 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3a15 s ASP 52 N -5.49 5.14 0.45 6.15 1.01 -1.26 -4.77 116.67 117.90 3a15 s ASP 52 Ca -0.20 -0.06 0.20 0.00 0.71 0.00 0.00 52.55 53.20 3a15 s ASP 52 Cb 0.05 -1.31 1.16 0.00 1.01 0.00 0.00 42.92 43.83 3a15 s ASP 52 CO 0.34 0.24 1.89 -0.33 0.21 0.00 0.00 175.17 177.52 3a15 h GLU 53 N 3.97 0.30 0.00 8.23 4.39 -2.01 -0.27 114.58 129.18 3a15 h GLU 53 Ca -0.48 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3a15 h GLU 53 Cb 1.17 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3a15 h GLU 53 CO 0.59 0.20 0.00 -0.40 -1.16 0.00 0.00 179.01 178.24 3a15 n ASP 54 N -4.46 0.61 0.04 1.42 5.68 -1.26 -2.09 116.55 116.49 3a15 n ASP 54 Ca 0.17 0.75 0.11 0.00 -0.50 0.00 0.00 54.79 55.33 3a15 n ASP 54 Cb 0.69 -0.84 -0.01 0.00 -1.14 0.00 0.00 41.12 39.82 3a15 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a15 n GLN 55 N -2.28 0.41 -0.10 0.11 6.02 -0.11 -4.57 117.38 116.86 3a15 n GLN 55 Ca -0.01 -0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.92 3a15 n GLN 55 Cb 0.07 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.70 3a15 n GLN 55 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3a15 h ARG 56 N 0.00 -0.07 -0.90 -1.09 2.43 -1.52 -0.15 114.38 113.08 3a15 h ARG 56 Ca 0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.30 3a15 h ARG 56 Cb 0.83 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.31 3a15 h ARG 56 CO 0.00 -0.05 0.52 -1.35 -1.51 0.00 0.00 179.97 177.59 3a15 h PRO 57 N -0.07 0.79 -0.26 0.20 0.11 -1.80 0.18 132.00 131.14 3a15 h PRO 57 Ca 0.17 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.10 3a15 h PRO 57 Cb 0.34 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 3a15 h PRO 57 CO -0.40 0.52 -0.36 0.00 -0.21 0.00 0.00 178.00 177.55 3a15 h ALA 58 N 1.52 0.39 -0.30 -0.75 0.00 -1.63 -1.76 119.26 116.73 3a15 h ALA 58 Ca 0.46 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a15 h ALA 58 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3a15 h ALA 58 CO -0.29 0.46 0.18 0.00 0.00 0.00 0.00 179.25 179.61 3a15 h ALA 59 N 0.66 0.38 -0.74 0.00 0.00 -0.56 -0.65 119.26 118.35 3a15 h ALA 59 Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3a15 h ALA 59 Cb 0.95 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3a15 h ALA 59 CO 0.08 -0.12 0.36 -0.07 0.00 0.00 0.00 179.25 179.50 3a15 h LEU 60 N 0.39 0.95 -0.45 0.00 3.38 -0.65 -1.01 115.31 117.92 3a15 h LEU 60 Ca 0.11 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3a15 h LEU 60 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3a15 h LEU 60 CO -0.02 0.80 0.03 -0.61 0.09 0.00 0.00 178.44 178.73 3a15 h GLN 61 N 1.05 0.77 -0.77 1.13 5.75 -1.04 -1.27 115.11 120.72 3a15 h GLN 61 Ca 0.26 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3a15 h GLN 61 Cb 0.10 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 3a15 h GLN 61 CO -0.03 0.81 0.45 0.00 -2.65 0.00 0.00 178.83 177.41 3a15 h ALA 62 N 0.92 0.98 -0.14 3.38 0.00 -0.72 0.14 119.26 123.83 3a15 h ALA 62 Ca 0.13 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3a15 h ALA 62 Cb 0.44 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3a15 h ALA 62 CO 0.02 0.46 -0.07 1.98 0.00 0.00 0.00 179.25 181.64 3a15 h MET 63 N 1.06 -0.05 -0.75 0.00 1.85 -1.07 -0.86 114.93 115.11 3a15 h MET 63 Ca 0.27 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.41 3a15 h MET 63 Cb -0.02 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 3a15 h MET 63 CO -0.05 -0.03 0.49 0.00 -0.40 0.00 0.00 176.91 176.92 3a15 h ARG 64 N -0.05 0.86 -0.66 0.39 3.08 -0.55 -1.43 114.38 116.03 3a15 h ARG 64 Ca 0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3a15 h ARG 64 Cb 0.17 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3a15 h ARG 64 CO -0.17 0.57 0.35 -0.44 -1.07 0.00 0.00 179.97 179.20 3a15 h ASP 65 N 0.89 0.84 -0.00 7.04 3.32 -0.14 -0.77 116.42 127.61 3a15 h ASP 65 Ca 0.30 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3a15 h ASP 65 Cb 0.09 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3a15 h ASP 65 CO -0.09 0.71 0.00 0.40 -1.72 0.00 0.00 179.24 178.54 3a15 h ILE 66 N 0.91 1.10 -0.88 0.35 2.04 -0.46 -1.92 117.51 118.65 3a15 h ILE 66 Ca 0.23 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.89 3a15 h ILE 66 Cb 0.07 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 3a15 h ILE 66 CO -0.03 0.07 0.57 0.58 0.00 0.00 0.00 178.15 179.34 3a15 h VAL 67 N -0.12 1.00 -0.11 1.67 2.07 -1.14 -0.24 116.25 119.39 3a15 h VAL 67 Ca 0.00 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 3a15 h VAL 67 Cb 0.12 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3a15 h VAL 67 CO -0.00 0.17 -0.23 0.00 0.02 0.00 0.00 177.57 177.53 3a15 h ALA 68 N 1.55 1.42 0.00 1.67 0.00 -0.88 -2.28 119.26 120.74 3a15 h ALA 68 Ca 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3a15 h ALA 68 Cb 0.33 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3a15 h ALA 68 CO -0.16 0.41 -0.11 0.78 0.00 0.00 0.00 179.25 180.17 3a15 h GLY 69 N 0.88 0.00 2.00 0.00 0.00 -0.24 -2.41 103.07 103.30 3a15 h GLY 69 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 3a15 h GLY 69 CO 0.03 0.00 -0.19 0.74 0.00 0.00 0.00 176.54 177.12 3a15 h PHE 70 N 0.00 0.00 0.00 5.60 -1.00 -1.00 -3.09 116.94 117.45 3a15 h PHE 70 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3a15 h PHE 70 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.05 3a15 h PHE 70 CO 0.00 0.19 0.00 -0.25 -1.61 0.00 0.00 178.31 176.64 3a15 n ASP 71 N -3.28 0.11 -4.76 2.17 8.00 -0.91 -4.19 116.55 113.69 3a15 n ASP 71 Ca 0.01 0.52 -0.33 0.00 0.71 0.00 0.00 54.79 55.70 3a15 n ASP 71 Cb 0.46 -0.54 0.07 0.00 -0.02 0.00 0.00 41.12 41.09 3a15 n ASP 71 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a15 s LEU 72 N -3.21 3.27 0.37 0.64 1.43 -1.17 -4.92 118.68 115.08 3a15 s LEU 72 Ca 0.11 2.01 -0.26 0.00 -1.03 0.00 0.00 54.13 54.96 3a15 s LEU 72 Cb 0.15 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.70 3a15 s LEU 72 CO 0.44 -1.88 0.98 -2.65 0.23 0.00 0.00 176.35 173.46 3a15 n PRO 73 N -2.81 1.31 -1.01 1.29 -0.02 -1.26 -1.36 135.00 131.13 3a15 n PRO 73 Ca 0.10 0.47 -0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3a15 n PRO 73 Cb 0.52 -1.93 -0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3a15 n PRO 73 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a15 n ASP 74 N 0.84 -4.34 -4.58 2.55 8.00 -1.26 -4.78 116.55 112.97 3a15 n ASP 74 Ca 0.09 0.01 -0.28 0.00 0.71 0.00 0.00 54.79 55.32 3a15 n ASP 74 Cb 0.37 -1.88 0.22 0.00 -0.02 0.00 0.00 41.12 39.81 3a15 n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3a15 s GLY 75 N -2.04 1.55 0.66 0.44 0.00 -0.46 -4.51 107.32 102.96 3a15 s GLY 75 Ca 0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 44.72 44.31 3a15 s GLY 75 CO 0.00 0.41 1.13 2.56 0.00 0.00 0.00 173.10 177.20 3a15 s PRO 76 N -4.72 2.76 0.38 2.90 0.04 -1.26 -4.94 135.00 130.17 3a15 s PRO 76 Ca 0.67 1.48 0.18 0.00 0.04 0.00 0.00 61.00 63.37 3a15 s PRO 76 Cb -0.22 -1.94 0.73 0.00 0.04 0.00 0.00 34.50 33.11 3a15 s PRO 76 CO 0.61 -1.30 1.77 0.00 0.04 0.00 0.00 177.00 178.12 3a15 h ALA 77 N 0.12 1.07 -2.43 8.56 0.00 -1.41 -3.46 119.26 121.71 3a15 h ALA 77 Ca -0.47 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.00 3a15 h ALA 77 Cb 1.26 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 3a15 h ALA 77 CO 0.54 0.46 -0.15 -1.58 0.00 0.00 0.00 179.25 178.52 3a15 s HIS 78 N -3.73 -0.37 0.08 0.00 5.65 -1.17 -5.01 115.29 110.74 3a15 s HIS 78 Ca -0.01 0.72 -0.08 0.00 0.25 0.00 0.00 55.06 55.93 3a15 s HIS 78 Cb 0.12 0.19 -0.00 0.00 -1.18 0.00 0.00 32.58 31.70 3a15 s HIS 78 CO 0.69 -0.40 0.18 -3.38 -0.65 0.00 0.00 174.74 171.18 3a15 s HIS 79 N -0.88 0.15 0.10 3.88 -0.00 -1.26 -0.59 115.29 116.69 3a15 s HIS 79 Ca -0.09 -0.56 -0.06 0.00 -0.00 0.00 0.00 55.06 54.35 3a15 s HIS 79 Cb -0.04 -0.07 -0.02 0.00 -0.00 0.00 0.00 32.58 32.46 3a15 s HIS 79 CO 0.05 -0.52 0.14 0.16 -0.00 0.00 0.00 174.74 174.56 3a15 s ASP 80 N -2.74 0.22 -0.03 7.38 1.47 -0.78 -5.00 116.67 117.19 3a15 s ASP 80 Ca 0.03 -0.83 0.07 0.00 1.18 0.00 0.00 52.55 53.00 3a15 s ASP 80 Cb 0.04 0.32 -0.02 0.00 -0.34 0.00 0.00 42.92 42.92 3a15 s ASP 80 CO -0.10 -0.72 -0.24 -0.76 0.68 0.00 0.00 175.17 174.03 3a15 s LEU 81 N -2.91 2.04 0.10 2.11 1.43 -1.26 -1.43 118.68 118.77 3a15 s LEU 81 Ca 0.09 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3a15 s LEU 81 Cb 0.06 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 3a15 s LEU 81 CO -0.08 0.28 -0.00 0.42 0.23 0.00 0.00 176.35 177.20 3a15 s THR 82 N -0.47 0.35 -0.00 5.49 -4.23 -0.08 -1.00 115.64 115.70 3a15 s THR 82 Ca 0.06 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 3a15 s THR 82 Cb -0.10 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 3a15 s THR 82 CO 0.00 -0.72 -0.09 -2.28 -0.54 0.00 0.00 174.62 170.99 3a15 s HIS 83 N -3.86 0.82 0.20 3.99 5.04 0.37 -1.02 115.29 120.84 3a15 s HIS 83 Ca 0.16 -0.17 -0.18 0.00 -1.54 0.00 0.00 55.06 53.33 3a15 s HIS 83 Cb 0.07 -0.53 0.03 0.00 0.04 0.00 0.00 32.58 32.19 3a15 s HIS 83 CO -0.03 -0.01 0.53 -3.38 -2.34 0.00 0.00 174.74 169.51 3a15 s HIS 84 N -0.28 -0.11 -0.19 3.88 -3.43 -0.64 -1.48 115.29 113.04 3a15 s HIS 84 Ca 0.03 -0.23 -0.02 0.00 -0.80 0.00 0.00 55.06 54.03 3a15 s HIS 84 Cb -0.04 0.40 -0.01 0.00 -1.43 0.00 0.00 32.58 31.50 3a15 s HIS 84 CO -0.00 -0.93 -0.09 0.42 -2.00 0.00 0.00 174.74 172.14 3a15 s ILE 85 N -3.88 3.12 0.80 -5.38 1.01 -1.26 -0.20 121.20 115.41 3a15 s ILE 85 Ca 0.10 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 3a15 s ILE 85 Cb -0.01 -2.38 0.18 0.00 0.01 0.00 0.00 42.46 40.26 3a15 s ILE 85 CO -0.02 0.47 1.08 -0.90 0.00 0.00 0.00 174.94 175.57 3a15 n ASP 86 N 4.40 0.25 0.00 3.58 5.68 -0.31 -4.90 116.55 125.25 3a15 n ASP 86 Ca -0.19 -1.49 0.13 0.00 -0.50 0.00 0.00 54.79 52.74 3a15 n ASP 86 Cb 0.51 -0.81 0.76 0.00 -1.14 0.00 0.00 41.12 40.44 3a15 n ASP 86 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3a15 n ASN 87 N -3.60 0.00 -0.97 -1.12 0.23 -1.26 -1.62 115.26 106.92 3a15 n ASN 87 Ca 0.14 -0.74 0.10 0.00 -0.53 0.00 0.00 54.58 53.56 3a15 n ASN 87 Cb 0.49 -0.03 0.17 0.00 -2.08 0.00 0.00 39.78 38.33 3a15 n ASN 87 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a15 n GLN 88 N -1.03 2.25 -0.78 -3.83 1.13 -1.26 -4.97 117.38 108.89 3a15 n GLN 88 Ca 0.19 -2.07 0.00 0.00 -1.94 0.00 0.00 57.00 53.18 3a15 n GLN 88 Cb 0.10 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.02 3a15 n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a15 n GLY 89 N 1.23 0.64 3.78 1.08 0.00 -0.64 -5.04 105.19 106.23 3a15 n GLY 89 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3a15 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a15 s TYR 90 N -2.15 3.77 0.18 1.61 1.51 -1.26 -4.84 117.35 116.17 3a15 s TYR 90 Ca 0.00 1.33 -0.23 0.00 -1.01 0.00 0.00 57.07 57.16 3a15 s TYR 90 Cb 0.00 -2.62 -0.08 0.00 -0.11 0.00 0.00 41.96 39.15 3a15 s TYR 90 CO 0.00 0.45 0.74 -1.21 -1.11 0.00 0.00 175.55 174.42 3a15 s GLU 91 N -0.63 4.41 -0.08 -0.62 2.02 0.87 -1.16 118.70 123.52 3a15 s GLU 91 Ca 0.32 1.01 -0.00 0.00 0.02 0.00 0.00 54.97 56.32 3a15 s GLU 91 Cb -0.20 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 30.95 3a15 s GLU 91 CO 0.20 0.51 -0.04 -0.80 0.02 0.00 0.00 175.26 175.14 3a15 s ASN 92 N -1.34 1.65 -0.20 -0.19 0.01 0.72 -1.09 114.94 114.49 3a15 s ASN 92 Ca 0.38 -0.18 -0.08 0.00 -0.71 0.00 0.00 52.86 52.27 3a15 s ASN 92 Cb -0.20 -0.61 -0.04 0.00 0.41 0.00 0.00 41.25 40.81 3a15 s ASN 92 CO 0.23 -0.12 0.08 -0.76 -1.51 0.00 0.00 177.10 175.03 3a15 s LEU 93 N 1.53 3.87 -0.10 0.60 1.43 0.55 -1.62 118.68 124.93 3a15 s LEU 93 Ca -0.00 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3a15 s LEU 93 Cb -0.13 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.12 3a15 s LEU 93 CO -0.04 0.14 -0.10 -0.63 0.23 0.00 0.00 176.35 175.95 3a15 s ILE 94 N 0.57 1.16 -0.25 -0.59 1.01 -0.18 -0.17 121.20 122.75 3a15 s ILE 94 Ca 0.04 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 3a15 s ILE 94 Cb -0.13 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 3a15 s ILE 94 CO 0.01 0.38 0.16 -0.69 0.00 0.00 0.00 174.94 174.80 3a15 s VAL 95 N 1.33 5.30 -0.17 2.92 1.01 0.65 -0.90 120.40 130.54 3a15 s VAL 95 Ca -0.01 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 3a15 s VAL 95 Cb -0.14 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3a15 s VAL 95 CO -0.05 0.33 0.00 0.54 0.00 0.00 0.00 175.10 175.92 3a15 s VAL 96 N 1.21 4.23 0.07 2.92 0.11 -0.51 0.36 120.40 128.79 3a15 s VAL 96 Ca 0.07 -0.23 0.07 0.00 -2.93 0.00 0.00 61.98 58.96 3a15 s VAL 96 Cb -0.14 -2.88 -0.04 0.00 -1.53 0.00 0.00 36.38 31.79 3a15 s VAL 96 CO 0.06 0.48 -0.13 -0.83 -3.33 0.00 0.00 175.10 171.34 3a15 s GLY 97 N 0.42 1.70 -0.13 6.54 0.00 0.33 -1.88 107.32 114.30 3a15 s GLY 97 Ca -0.01 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.52 3a15 s GLY 97 CO 0.02 -1.14 -0.20 -0.19 0.00 0.00 0.00 173.10 171.59 3a15 s TYR 98 N -1.07 2.44 0.03 1.90 1.51 0.24 -0.54 117.35 121.85 3a15 s TYR 98 Ca 0.18 -1.20 0.04 0.00 -1.01 0.00 0.00 57.07 55.07 3a15 s TYR 98 Cb -0.11 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 3a15 s TYR 98 CO 0.09 -0.56 -0.05 -1.58 -1.11 0.00 0.00 175.55 172.34 3a15 s TRP 99 N 0.86 2.91 -1.36 2.71 0.51 -0.39 -0.92 118.94 123.27 3a15 s TRP 99 Ca -0.07 -0.03 0.28 0.00 -2.12 0.00 0.00 56.10 54.16 3a15 s TRP 99 Cb -0.15 -1.58 1.10 0.00 -0.81 0.00 0.00 33.47 32.02 3a15 s TRP 99 CO -0.02 0.41 1.80 1.63 -0.51 0.00 0.00 176.95 180.26 3a15 n LYS 100 N 1.27 0.38 -3.63 4.98 5.02 -1.26 -1.54 118.16 123.38 3a15 n LYS 100 Ca -0.14 -0.13 -0.15 0.00 -2.02 0.00 0.00 58.31 55.87 3a15 n LYS 100 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 3a15 n LYS 100 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3a15 s ASP 101 N -2.70 -0.41 0.12 4.39 -4.77 -1.22 -4.43 116.67 107.64 3a15 s ASP 101 Ca 0.22 0.31 -0.14 0.00 -3.30 0.00 0.00 52.55 49.64 3a15 s ASP 101 Cb 0.19 0.44 -0.04 0.00 -1.09 0.00 0.00 42.92 42.42 3a15 s ASP 101 CO 0.53 -0.58 1.51 0.58 0.70 0.00 0.00 175.17 177.91 3a15 h VAL 102 N 3.28 1.28 -0.74 2.11 2.07 -1.88 -3.26 116.25 119.11 3a15 h VAL 102 Ca -0.29 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.07 3a15 h VAL 102 Cb 1.17 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 3a15 h VAL 102 CO 0.40 0.40 0.43 -1.28 0.02 0.00 0.00 177.57 177.55 3a15 h SER 103 N 0.53 0.65 -0.48 0.57 0.87 -1.97 -1.89 113.55 111.84 3a15 h SER 103 Ca 0.09 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 3a15 h SER 103 Cb 0.65 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 3a15 h SER 103 CO 0.04 0.42 -0.04 0.77 -0.53 0.00 0.00 176.83 177.49 3a15 h SER 104 N 0.79 0.87 -0.70 6.23 4.64 -1.93 -1.05 113.55 122.40 3a15 h SER 104 Ca 0.33 -0.33 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3a15 h SER 104 Cb 0.19 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3a15 h SER 104 CO -0.18 0.99 0.36 -0.61 -0.87 0.00 0.00 176.83 176.52 3a15 h GLN 105 N 0.73 1.00 -0.34 4.77 -0.00 -1.52 -0.46 115.11 119.30 3a15 h GLN 105 Ca 0.13 -0.12 -0.03 0.00 -0.00 0.00 0.00 58.65 58.63 3a15 h GLN 105 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.84 3a15 h GLN 105 CO 0.03 0.76 0.11 1.25 0.00 0.00 0.00 178.83 180.98 3a15 h HIS 106 N 1.00 0.54 -0.89 3.99 2.76 -1.08 0.67 115.15 122.14 3a15 h HIS 106 Ca 0.25 -0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.41 3a15 h HIS 106 Cb 0.07 -0.16 -0.06 0.00 1.55 0.00 0.00 27.41 28.82 3a15 h HIS 106 CO 0.01 0.53 0.57 0.00 -1.30 0.00 0.00 177.93 177.74 3a15 h ARG 107 N 0.39 1.06 -0.12 5.26 3.08 -0.70 -1.38 114.38 121.97 3a15 h ARG 107 Ca 0.11 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3a15 h ARG 107 Cb 0.24 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3a15 h ARG 107 CO -0.00 0.70 0.02 2.35 -1.07 0.00 0.00 179.97 181.96 3a15 h TRP 108 N 1.09 0.22 -0.34 3.04 7.01 -0.90 -1.63 115.95 124.44 3a15 h TRP 108 Ca 0.37 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.30 3a15 h TRP 108 Cb 0.06 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 3a15 h TRP 108 CO -0.02 0.41 0.08 1.03 -2.79 0.00 0.00 178.44 177.15 3a15 h SER 109 N -0.03 0.46 0.09 2.65 0.87 -0.55 -2.57 113.55 114.47 3a15 h SER 109 Ca 0.04 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3a15 h SER 109 Cb 0.31 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3a15 h SER 109 CO 0.00 0.47 -0.46 0.35 -0.53 0.00 0.00 176.83 176.66 3a15 n THR 110 N -4.35 0.00 -2.00 2.23 -2.24 -0.55 -3.34 114.28 104.03 3a15 n THR 110 Ca 0.02 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3a15 n THR 110 Cb 0.18 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 3a15 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a15 s SER 111 N -2.56 6.65 0.34 3.42 1.04 -0.62 -4.73 113.70 117.24 3a15 s SER 111 Ca 0.19 2.57 0.11 0.00 0.48 0.00 0.00 55.95 59.30 3a15 s SER 111 Cb 0.18 -2.60 0.91 0.00 0.10 0.00 0.00 66.02 64.62 3a15 s SER 111 CO 0.59 -0.76 1.76 0.71 0.98 0.00 0.00 173.24 176.52 3a15 h THR 112 N 3.96 0.60 -0.77 2.02 1.35 -1.90 0.11 112.91 118.28 3a15 h THR 112 Ca -0.43 -0.20 0.11 0.00 -0.55 0.00 0.00 66.41 65.34 3a15 h THR 112 Cb 1.21 -0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.54 3a15 h THR 112 CO 0.87 0.11 0.51 1.55 -0.25 0.00 0.00 175.52 178.31 3a15 h PRO 113 N 0.58 0.61 0.00 4.72 0.13 -1.93 -1.73 132.00 134.39 3a15 h PRO 113 Ca 0.60 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.58 3a15 h PRO 113 Cb 1.20 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3a15 h PRO 113 CO -0.38 0.41 -0.70 0.82 -0.23 0.00 0.00 178.00 177.92 3a15 h ILE 114 N 0.63 0.93 -0.67 -3.56 1.08 -1.08 -3.34 117.51 111.50 3a15 h ILE 114 Ca 0.36 -1.94 0.03 0.00 -0.39 0.00 0.00 64.86 62.93 3a15 h ILE 114 Cb 0.55 2.00 -0.04 0.00 -3.07 0.00 0.00 36.82 36.26 3a15 h ILE 114 CO -0.14 0.32 0.41 0.00 -0.69 0.00 0.00 178.15 178.05 3a15 h ALA 115 N -0.48 0.88 0.00 1.87 0.00 -1.25 -2.35 119.26 117.93 3a15 h ALA 115 Ca -0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3a15 h ALA 115 Cb 0.99 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3a15 h ALA 115 CO -0.10 0.16 -0.36 0.66 0.00 0.00 0.00 179.25 179.60 3a15 h SER 116 N 0.80 0.00 -0.28 0.00 4.64 -1.52 0.02 113.55 117.21 3a15 h SER 116 Ca 0.28 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.49 3a15 h SER 116 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3a15 h SER 116 CO -0.12 0.36 -0.22 -0.25 -0.87 0.00 0.00 176.83 175.73 3a15 h TRP 117 N 0.00 0.76 -0.00 4.77 7.01 -1.62 -2.14 115.95 124.73 3a15 h TRP 117 Ca -0.00 -0.22 -0.12 0.00 2.11 0.00 0.00 58.89 60.66 3a15 h TRP 117 Cb 0.91 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.78 3a15 h TRP 117 CO 0.00 0.93 -0.59 2.35 -2.79 0.00 0.00 178.44 178.34 3a15 h TRP 118 N 0.38 0.01 -0.01 2.65 2.91 -0.98 -3.15 115.95 117.76 3a15 h TRP 118 Ca 0.05 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3a15 h TRP 118 Cb 0.77 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.42 3a15 h TRP 118 CO 0.07 0.60 -0.38 0.39 -1.03 0.00 0.00 178.44 178.08 3a15 n GLU 119 N -3.84 1.05 -2.00 2.65 1.02 -0.05 -4.97 120.64 114.51 3a15 n GLU 119 Ca -0.01 -0.78 -0.39 0.00 -0.02 0.00 0.00 57.16 55.95 3a15 n GLU 119 Cb 0.59 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 3a15 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a15 s SER 120 N -2.48 6.12 0.56 1.62 0.15 -0.81 -4.91 113.70 113.94 3a15 s SER 120 Ca 0.21 2.69 0.36 0.00 0.70 0.00 0.00 55.95 59.91 3a15 s SER 120 Cb 0.19 -2.64 1.73 0.00 -1.71 0.00 0.00 66.02 63.59 3a15 s SER 120 CO 0.55 -0.99 2.09 1.05 1.20 0.00 0.00 173.24 177.15 3a15 h GLU 121 N 2.45 0.00 0.00 5.44 9.09 -1.91 -2.86 114.58 126.79 3a15 h GLU 121 Ca -0.50 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 58.90 3a15 h GLU 121 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3a15 h GLU 121 CO 0.62 0.00 -0.06 -0.44 0.05 0.00 0.00 179.01 179.18 3a15 h ASP 122 N 0.00 0.00 -0.29 3.06 5.19 -1.92 -1.33 116.42 121.13 3a15 h ASP 122 Ca 0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 3a15 h ASP 122 Cb 0.28 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 3a15 h ASP 122 CO 0.00 0.06 -0.01 0.03 -3.12 0.00 0.00 179.24 176.20 3a15 h ARG 123 N 0.00 0.64 0.01 3.56 2.47 -1.80 -1.63 114.38 117.63 3a15 h ARG 123 Ca -0.00 -0.16 -0.19 0.00 -1.26 0.00 0.00 59.98 58.37 3a15 h ARG 123 Cb 0.16 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 3a15 h ARG 123 CO 0.01 0.67 -0.88 -0.07 0.56 0.00 0.00 179.97 180.26 3a15 h LEU 124 N 0.60 0.07 0.00 3.04 3.38 -1.44 -3.31 115.31 117.65 3a15 h LEU 124 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3a15 h LEU 124 Cb 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3a15 h LEU 124 CO 0.02 0.91 -0.74 -1.54 0.09 0.00 0.00 178.44 177.18 3a15 n SER 125 N -3.54 0.62 0.18 -0.43 3.41 -1.09 -4.26 113.62 108.50 3a15 n SER 125 Ca -0.01 -0.17 0.07 0.00 -0.26 0.00 0.00 58.87 58.50 3a15 n SER 125 Cb 0.83 0.45 0.58 0.00 -0.26 0.00 0.00 64.21 65.80 3a15 n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3a15 h ASP 126 N 0.00 0.14 0.00 4.04 5.19 -1.39 -3.46 116.42 120.95 3a15 h ASP 126 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3a15 h ASP 126 Cb 0.65 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.12 3a15 h ASP 126 CO 0.00 0.10 0.00 0.61 -3.12 0.00 0.00 179.24 176.83 3a15 n GLY 127 N -1.52 2.96 3.81 2.75 0.00 -1.26 -5.01 105.19 106.92 3a15 n GLY 127 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3a15 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a15 s LEU 128 N 0.00 3.71 0.14 0.99 1.43 -1.26 -4.95 118.68 118.73 3a15 s LEU 128 Ca 0.00 1.76 -0.08 0.00 -1.03 0.00 0.00 54.13 54.78 3a15 s LEU 128 Cb 0.00 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 3a15 s LEU 128 CO 0.00 -0.77 0.43 -0.83 0.23 0.00 0.00 176.35 175.42 3a15 s GLY 129 N -2.53 2.30 0.03 -3.19 0.00 0.65 -4.75 107.32 99.84 3a15 s GLY 129 Ca 0.63 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.98 3a15 s GLY 129 CO 0.26 -0.24 -0.10 -1.36 0.00 0.00 0.00 173.10 171.66 3a15 s PHE 130 N -1.58 0.88 0.04 1.90 0.08 0.11 -0.16 117.98 119.25 3a15 s PHE 130 Ca 0.39 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 3a15 s PHE 130 Cb -0.13 -0.53 0.01 0.00 -0.57 0.00 0.00 43.02 41.81 3a15 s PHE 130 CO 0.21 -0.01 0.23 -0.59 -0.10 0.00 0.00 175.22 174.96 3a15 s PHE 131 N -0.90 0.01 -0.08 0.36 -0.12 -0.65 -0.02 117.98 116.57 3a15 s PHE 131 Ca -0.03 -0.21 -0.00 0.00 -0.05 0.00 0.00 56.93 56.64 3a15 s PHE 131 Cb -0.07 0.01 0.03 0.00 -0.63 0.00 0.00 43.02 42.35 3a15 s PHE 131 CO 0.01 -0.46 -0.04 1.03 -0.05 0.00 0.00 175.22 175.71 3a15 s ARG 132 N -2.61 0.97 -0.32 1.99 0.52 0.20 -0.36 118.95 119.34 3a15 s ARG 132 Ca -0.05 -0.06 0.03 0.00 -0.52 0.00 0.00 55.73 55.13 3a15 s ARG 132 Cb -0.01 -1.15 0.09 0.00 0.52 0.00 0.00 34.95 34.40 3a15 s ARG 132 CO -0.04 -0.24 0.04 -1.21 0.02 0.00 0.00 175.30 173.87 3a15 s GLU 133 N 1.65 1.41 -0.19 3.54 2.02 -0.04 -0.40 118.70 126.69 3a15 s GLU 133 Ca 0.01 -1.66 0.01 0.00 0.02 0.00 0.00 54.97 53.36 3a15 s GLU 133 Cb -0.13 -2.95 0.03 0.00 0.10 0.00 0.00 34.13 31.19 3a15 s GLU 133 CO -0.05 -0.90 -0.14 0.42 0.02 0.00 0.00 175.26 174.61 3a15 s ILE 134 N 1.06 1.84 0.07 -1.63 1.01 0.35 -1.28 121.20 122.62 3a15 s ILE 134 Ca 0.08 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.80 3a15 s ILE 134 Cb -0.19 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 3a15 s ILE 134 CO -0.11 0.32 -0.18 0.68 0.00 0.00 0.00 174.94 175.65 3a15 s VAL 135 N 1.34 1.48 -0.44 2.92 -7.23 -0.62 -0.70 120.40 117.15 3a15 s VAL 135 Ca 0.01 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 3a15 s VAL 135 Cb -0.15 -1.34 0.16 0.00 0.56 0.00 0.00 36.38 35.61 3a15 s VAL 135 CO -0.10 -0.03 0.33 0.00 -0.31 0.00 0.00 175.10 174.98 3a15 s ALA 136 N -1.06 1.64 0.27 1.32 0.00 -0.05 -0.43 121.76 123.44 3a15 s ALA 136 Ca 0.04 -2.51 -0.29 0.00 0.00 0.00 0.00 51.96 49.20 3a15 s ALA 136 Cb -0.09 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.25 3a15 s ALA 136 CO 0.03 -2.02 0.98 -1.25 0.00 0.00 0.00 175.76 173.50 3a15 s PRO 137 N 0.10 4.75 0.92 0.00 0.04 -1.21 -4.80 135.00 134.79 3a15 s PRO 137 Ca 0.28 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 3a15 s PRO 137 Cb -0.04 -3.17 0.14 0.00 0.04 0.00 0.00 34.50 31.48 3a15 s PRO 137 CO -0.14 0.39 1.09 1.03 0.04 0.00 0.00 177.00 179.41 3a15 s ARG 138 N -1.41 1.04 0.46 4.56 0.52 -1.26 -1.66 118.95 121.20 3a15 s ARG 138 Ca 0.44 0.93 0.16 0.00 -0.52 0.00 0.00 55.73 56.74 3a15 s ARG 138 Cb -0.26 -1.77 1.13 0.00 0.52 0.00 0.00 34.95 34.56 3a15 s ARG 138 CO 0.33 -2.43 2.01 0.00 0.02 0.00 0.00 175.30 175.23 3a15 h ALA 139 N -1.69 2.10 0.00 2.13 0.00 -1.44 -0.10 119.26 120.27 3a15 h ALA 139 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3a15 h ALA 139 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3a15 h ALA 139 CO 0.52 -0.22 0.00 -0.85 0.00 0.00 0.00 179.25 178.71 3a15 n GLU 140 N -4.46 0.04 -0.36 0.00 0.28 -1.26 -3.72 120.64 111.16 3a15 n GLU 140 Ca 0.08 0.13 0.08 0.00 -0.16 0.00 0.00 57.16 57.28 3a15 n GLU 140 Cb 0.37 -1.55 0.24 0.00 1.43 0.00 0.00 31.44 31.93 3a15 n GLU 140 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3a15 n GLN 141 N -1.62 3.08 -4.02 3.44 6.02 -0.05 -1.10 117.38 123.13 3a15 n GLN 141 Ca 0.05 -2.48 -0.08 0.00 -0.01 0.00 0.00 57.00 54.48 3a15 n GLN 141 Cb 0.29 -1.57 -0.09 0.00 1.02 0.00 0.00 30.24 29.88 3a15 n GLN 141 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3a15 s PHE 142 N -1.59 0.41 0.07 1.08 -0.12 -1.23 -1.08 117.98 115.51 3a15 s PHE 142 Ca 0.36 -0.89 0.02 0.00 -0.05 0.00 0.00 56.93 56.37 3a15 s PHE 142 Cb 0.23 -0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.29 3a15 s PHE 142 CO 0.18 -0.40 -0.07 -1.83 -0.05 0.00 0.00 175.22 173.05 3a15 s GLU 143 N -3.64 0.68 0.14 1.99 4.04 -0.07 -4.58 118.70 117.27 3a15 s GLU 143 Ca 0.04 -1.06 0.06 0.00 0.04 0.00 0.00 54.97 54.05 3a15 s GLU 143 Cb 0.05 -0.22 -0.04 0.00 0.02 0.00 0.00 34.13 33.95 3a15 s GLU 143 CO -0.09 0.01 -0.13 0.95 -1.84 0.00 0.00 175.26 174.15 3a15 s THR 144 N -2.62 1.37 -0.17 1.83 -4.23 -1.26 -1.35 115.64 109.21 3a15 s THR 144 Ca 0.02 -1.86 -0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3a15 s THR 144 Cb -0.02 -1.68 0.07 0.00 1.34 0.00 0.00 72.50 72.22 3a15 s THR 144 CO -0.03 -0.50 0.36 -0.22 -0.54 0.00 0.00 174.62 173.69 3a15 s LEU 145 N -2.73 -0.38 -0.04 4.79 2.96 -0.42 -4.65 118.68 118.21 3a15 s LEU 145 Ca 0.13 0.83 0.04 0.00 -0.22 0.00 0.00 54.13 54.91 3a15 s LEU 145 Cb -0.03 1.13 -0.00 0.00 0.50 0.00 0.00 46.19 47.79 3a15 s LEU 145 CO 0.03 -0.22 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.35 3a15 s TYR 146 N 2.25 1.75 -0.38 5.38 2.02 0.13 -1.02 117.35 127.48 3a15 s TYR 146 Ca -0.03 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 3a15 s TYR 146 Cb -0.11 -1.18 0.35 0.00 -0.40 0.00 0.00 41.96 40.61 3a15 s TYR 146 CO -0.11 -0.17 1.86 0.00 -1.57 0.00 0.00 175.55 175.56 3a15 n ALA 147 N 3.14 5.15 -3.84 3.71 0.00 -0.46 -1.34 120.51 126.88 3a15 n ALA 147 Ca -0.18 -2.12 -0.01 0.00 0.00 0.00 0.00 53.44 51.12 3a15 n ALA 147 Cb 0.53 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.56 3a15 n ALA 147 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3a15 s PHE 148 N -2.36 0.01 0.00 0.00 -0.71 -1.26 -4.74 117.98 108.91 3a15 s PHE 148 Ca 0.40 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.00 3a15 s PHE 148 Cb 0.32 0.64 0.00 0.00 -1.21 0.00 0.00 43.02 42.78 3a15 s PHE 148 CO 0.02 -0.69 0.00 1.04 -1.34 0.00 0.00 175.22 174.25 3a15 n GLN 149 N -0.66 3.07 -3.79 1.99 3.00 -1.26 -4.72 117.38 115.02 3a15 n GLN 149 Ca -0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.64 3a15 n GLN 149 Cb 0.60 -0.98 -0.04 0.00 0.00 0.00 0.00 30.24 29.82 3a15 n GLN 149 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 3a15 s GLU 150 N -1.95 3.54 -1.01 -1.09 -1.05 -1.26 -4.62 118.70 111.25 3a15 s GLU 150 Ca 0.00 -0.25 -0.15 0.00 -0.15 0.00 0.00 54.97 54.42 3a15 s GLU 150 Cb 0.00 -2.94 0.00 0.00 -0.44 0.00 0.00 34.13 30.75 3a15 s GLU 150 CO 0.00 0.54 0.71 -0.25 0.95 0.00 0.00 175.26 177.21 3a15 n ASP 151 N 0.21 -5.37 -4.73 0.83 8.00 -1.26 -4.85 116.55 109.38 3a15 n ASP 151 Ca -0.04 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.13 3a15 n ASP 151 Cb 0.51 -2.92 -0.02 0.00 -0.02 0.00 0.00 41.12 38.67 3a15 n ASP 151 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a15 s LEU 152 N -5.89 4.36 0.71 0.64 1.43 -1.26 -5.00 118.68 113.67 3a15 s LEU 152 Ca 0.29 2.88 -0.03 0.00 -1.03 0.00 0.00 54.13 56.23 3a15 s LEU 152 Cb -0.12 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.59 3a15 s LEU 152 CO 0.87 -0.93 0.99 -2.16 0.23 0.00 0.00 176.35 175.35 3a15 s PRO 153 N 0.50 1.85 4.68 1.29 0.04 -1.26 -2.98 135.00 139.11 3a15 s PRO 153 Ca 0.70 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.96 3a15 s PRO 153 Cb -0.48 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 31.78 3a15 s PRO 153 CO 0.38 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.47 3a15 n GLY 154 N -2.86 2.50 0.26 0.56 0.00 -1.26 -2.55 105.19 101.85 3a15 n GLY 154 Ca 0.12 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.88 3a15 n GLY 154 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a15 h VAL 155 N 0.00 0.74 0.00 1.61 3.04 -1.99 -1.65 116.25 118.00 3a15 h VAL 155 Ca 0.00 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 65.35 3a15 h VAL 155 Cb 0.00 1.20 -0.00 0.00 -2.01 0.00 0.00 31.29 30.47 3a15 h VAL 155 CO 0.00 0.08 -0.07 1.23 -1.01 0.00 0.00 177.57 177.81 3a15 h GLY 156 N 0.41 0.00 1.83 3.17 0.00 -1.78 -1.49 103.07 105.21 3a15 h GLY 156 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3a15 h GLY 156 CO 0.01 0.00 0.06 0.00 0.00 0.00 0.00 176.54 176.61 3a15 h ALA 157 N 1.93 1.96 -0.03 3.60 0.00 -1.19 -2.53 119.26 123.01 3a15 h ALA 157 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a15 h ALA 157 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3a15 h ALA 157 CO 0.01 -0.10 -0.08 1.33 0.00 0.00 0.00 179.25 180.40 3a15 n VAL 158 N -4.34 0.00 -2.12 0.00 0.24 -0.57 -4.95 118.33 106.60 3a15 n VAL 158 Ca -0.01 -0.45 -0.28 0.00 -2.04 0.00 0.00 64.34 61.56 3a15 n VAL 158 Cb 0.17 1.43 0.17 0.00 -1.47 0.00 0.00 33.84 34.14 3a15 n VAL 158 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3a15 s MET 159 N -2.08 0.87 0.05 7.34 -1.94 -0.96 -4.95 119.30 117.62 3a15 s MET 159 Ca 0.27 -0.63 0.09 0.00 -1.71 0.00 0.00 55.69 53.71 3a15 s MET 159 Cb 0.20 -1.98 -0.22 0.00 2.01 0.00 0.00 34.83 34.84 3a15 s MET 159 CO 0.35 -2.19 1.00 -0.44 -0.01 0.00 0.00 175.02 173.73 3a15 h ASP 160 N -1.36 0.00 0.00 3.03 3.32 -0.49 -3.49 116.42 117.43 3a15 h ASP 160 Ca -0.42 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3a15 h ASP 160 Cb 1.24 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3a15 h ASP 160 CO 0.37 1.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.51 3a15 n GLY 161 N 1.44 -0.90 3.64 2.75 0.00 -0.89 -5.00 105.19 106.24 3a15 n GLY 161 Ca -0.08 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3a15 n GLY 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a15 s ILE 162 N -3.00 3.83 1.00 -0.61 1.10 -1.26 -0.73 121.20 121.53 3a15 s ILE 162 Ca 0.00 -0.90 -0.16 0.00 -0.51 0.00 0.00 60.65 59.08 3a15 s ILE 162 Cb 0.00 -2.75 0.20 0.00 0.15 0.00 0.00 42.46 40.06 3a15 s ILE 162 CO 0.00 0.24 1.23 -0.94 -2.11 0.00 0.00 174.94 173.36 3a15 s SER 163 N -1.90 2.76 0.92 4.50 1.04 -0.16 -4.83 113.70 116.03 3a15 s SER 163 Ca 0.21 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.16 3a15 s SER 163 Cb -0.11 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.27 3a15 s SER 163 CO 0.13 -2.97 0.00 0.61 0.98 0.00 0.00 173.24 171.99 3a15 n GLY 164 N -2.78 -1.11 3.73 7.32 0.00 -1.26 -4.75 105.19 106.34 3a15 n GLY 164 Ca 0.13 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 3a15 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a15 s GLU 165 N -2.77 4.23 0.14 1.61 2.02 -1.26 -4.56 118.70 118.11 3a15 s GLU 165 Ca 0.00 2.35 0.03 0.00 0.02 0.00 0.00 54.97 57.37 3a15 s GLU 165 Cb 0.00 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 3a15 s GLU 165 CO 0.00 -0.53 0.20 0.96 0.02 0.00 0.00 175.26 175.92 3a15 s ILE 166 N 0.57 4.96 0.02 -1.63 -4.36 -0.78 -3.52 121.20 116.46 3a15 s ILE 166 Ca 0.65 -0.80 -0.17 0.00 -0.26 0.00 0.00 60.65 60.07 3a15 s ILE 166 Cb -0.43 -3.52 -0.34 0.00 1.25 0.00 0.00 42.46 39.42 3a15 s ILE 166 CO 0.38 -0.05 0.99 -1.13 0.24 0.00 0.00 174.94 175.37 3a15 h ASN 167 N 2.46 0.79 -0.85 4.36 -0.73 -1.63 -3.42 115.58 116.56 3a15 h ASN 167 Ca -0.48 -0.92 -0.73 0.00 1.87 0.00 0.00 56.30 56.04 3a15 h ASN 167 Cb 1.19 -0.26 -0.11 0.00 0.27 0.00 0.00 38.32 39.42 3a15 h ASN 167 CO 0.67 1.65 2.45 -0.62 -0.37 0.00 0.00 177.43 181.21 3a15 n GLU 168 N -3.80 3.29 -3.71 6.67 4.71 -1.26 -4.52 120.64 122.02 3a15 n GLU 168 Ca -0.16 -3.16 -0.09 0.00 -0.01 0.00 0.00 57.16 53.74 3a15 n GLU 168 Cb 1.04 -3.10 -0.02 0.00 -1.01 0.00 0.00 31.44 28.36 3a15 n GLU 168 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 3a15 s HIS 169 N 1.71 -0.30 0.00 -0.32 -3.43 -1.26 -4.69 115.29 106.99 3a15 s HIS 169 Ca 0.43 -0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.63 3a15 s HIS 169 Cb 0.11 0.66 0.00 0.00 -1.43 0.00 0.00 32.58 31.91 3a15 s HIS 169 CO -0.03 -1.09 0.00 0.41 -2.00 0.00 0.00 174.74 172.03 3a15 n GLY 170 N -0.43 0.77 3.21 -1.38 0.00 -1.26 -4.70 105.19 101.40 3a15 n GLY 170 Ca -0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3a15 n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a15 s TYR 171 N -2.00 -0.21 0.16 1.61 1.13 -1.26 -4.95 117.35 111.82 3a15 s TYR 171 Ca 0.00 0.42 -0.31 0.00 -1.41 0.00 0.00 57.07 55.77 3a15 s TYR 171 Cb 0.00 0.09 -0.11 0.00 -1.10 0.00 0.00 41.96 40.84 3a15 s TYR 171 CO 0.00 -0.30 1.70 -1.58 -2.51 0.00 0.00 175.55 172.86 3a15 s TRP 172 N -0.80 2.68 0.00 -3.49 0.52 -1.26 -1.35 118.94 115.23 3a15 s TRP 172 Ca -0.09 0.32 0.00 0.00 0.02 0.00 0.00 56.10 56.35 3a15 s TRP 172 Cb -0.04 -4.07 0.00 0.00 -1.15 0.00 0.00 33.47 28.20 3a15 s TRP 172 CO 0.03 -4.17 0.00 0.41 0.02 0.00 0.00 176.95 173.23 3a15 n GLY 173 N 3.99 1.49 0.21 0.98 0.00 -1.26 -4.97 105.19 105.64 3a15 n GLY 173 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 3a15 n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a15 h SER 174 N 0.00 0.42 -0.16 1.61 4.64 -1.54 -3.00 113.55 115.53 3a15 h SER 174 Ca 0.00 -0.19 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3a15 h SER 174 Cb 0.00 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 61.92 3a15 h SER 174 CO 0.00 0.79 -0.14 -0.03 -0.87 0.00 0.00 176.83 176.59 3a15 h MET 175 N 0.33 -0.14 -0.74 4.77 -1.53 -1.83 -1.58 114.93 114.21 3a15 h MET 175 Ca 0.03 0.01 0.13 0.00 -3.44 0.00 0.00 59.70 56.43 3a15 h MET 175 Cb 0.87 0.03 -0.09 0.00 -0.55 0.00 0.00 31.60 31.86 3a15 h MET 175 CO 0.07 -0.10 0.31 -0.09 0.14 0.00 0.00 176.91 177.25 3a15 h ARG 176 N -0.15 0.46 0.00 0.39 2.43 -1.94 -1.88 114.38 113.69 3a15 h ARG 176 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3a15 h ARG 176 Cb 0.30 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3a15 h ARG 176 CO -0.25 0.31 0.00 0.93 -1.51 0.00 0.00 179.97 179.45 3a15 h GLU 177 N 0.48 0.00 0.00 0.20 5.08 -1.18 -2.29 114.58 116.87 3a15 h GLU 177 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3a15 h GLU 177 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3a15 h GLU 177 CO -0.37 0.00 -0.25 0.54 -1.00 0.00 0.00 179.01 177.93 3a15 n ARG 178 N -2.54 0.16 -2.48 2.33 1.74 -0.71 -4.72 116.66 110.44 3a15 n ARG 178 Ca 0.01 0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.75 3a15 n ARG 178 Cb 0.24 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 3a15 n ARG 178 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3a15 s PHE 179 N -3.08 2.95 0.38 -1.55 0.40 -0.86 -4.64 117.98 111.59 3a15 s PHE 179 Ca 0.10 1.11 0.11 0.00 -0.60 0.00 0.00 56.93 57.65 3a15 s PHE 179 Cb 0.15 -3.47 0.90 0.00 0.51 0.00 0.00 43.02 41.11 3a15 s PHE 179 CO 0.63 -1.41 1.90 -1.35 0.70 0.00 0.00 175.22 175.69 3a15 h PRO 180 N 8.09 0.57 0.00 0.24 0.11 -1.79 -0.85 132.00 138.37 3a15 h PRO 180 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3a15 h PRO 180 Cb 1.09 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3a15 h PRO 180 CO 0.98 0.38 0.00 0.97 -0.21 0.00 0.00 178.00 180.11 3a15 h ILE 181 N 0.59 0.00 0.00 4.15 2.10 -1.47 -1.99 117.51 120.88 3a15 h ILE 181 Ca 0.40 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 66.21 3a15 h ILE 181 Cb 0.72 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 37.37 3a15 h ILE 181 CO -0.16 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.37 3a15 n SER 182 N -2.67 0.00 0.25 2.19 3.41 -0.32 -0.70 113.62 115.78 3a15 n SER 182 Ca -0.01 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.10 3a15 n SER 182 Cb 0.13 -0.43 0.67 0.00 -0.26 0.00 0.00 64.21 64.31 3a15 n SER 182 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3a15 h GLN 183 N 0.00 0.00 0.00 4.33 4.20 -1.53 -3.37 115.11 118.74 3a15 h GLN 183 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3a15 h GLN 183 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3a15 h GLN 183 CO 0.00 0.14 -0.00 0.25 -0.67 0.00 0.00 178.83 178.55 3a15 n THR 184 N -3.57 0.00 -4.52 -0.54 -2.24 -0.85 -1.32 114.28 101.24 3a15 n THR 184 Ca -0.01 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 3a15 n THR 184 Cb 0.28 0.76 -0.15 0.00 -2.10 0.00 0.00 70.33 69.12 3a15 n THR 184 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a15 s ASP 185 N -0.02 1.38 0.10 3.42 -1.08 0.12 -4.81 116.67 115.78 3a15 s ASP 185 Ca 0.00 -0.21 0.28 0.00 -0.52 0.00 0.00 52.55 52.09 3a15 s ASP 185 Cb 0.00 -0.17 1.02 0.00 -1.46 0.00 0.00 42.92 42.31 3a15 s ASP 185 CO 0.00 0.14 1.85 0.79 0.52 0.00 0.00 175.17 178.47 3a15 n TRP 186 N 2.82 0.47 -3.96 -5.34 7.02 -1.26 -4.18 117.44 113.00 3a15 n TRP 186 Ca -0.14 0.14 -0.29 0.00 -1.02 0.00 0.00 57.50 56.18 3a15 n TRP 186 Cb 0.56 -0.72 0.00 0.00 -2.42 0.00 0.00 31.31 28.73 3a15 n TRP 186 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3a15 n MET 187 N -1.88 -4.32 -2.52 -0.99 2.81 -1.26 -4.91 117.12 104.05 3a15 n MET 187 Ca 0.06 0.50 -0.41 0.00 -1.81 0.00 0.00 57.70 56.04 3a15 n MET 187 Cb 0.39 -5.11 -0.04 0.00 -0.71 0.00 0.00 33.22 27.75 3a15 n MET 187 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3a15 s GLN 188 N -6.57 4.55 0.46 0.03 0.74 -1.26 -4.65 119.66 112.95 3a15 s GLN 188 Ca 0.41 1.69 -0.22 0.00 0.05 0.00 0.00 55.36 57.29 3a15 s GLN 188 Cb -0.22 -3.32 -0.08 0.00 1.10 0.00 0.00 33.01 30.50 3a15 s GLN 188 CO 0.86 -0.03 1.10 0.00 -0.55 0.00 0.00 175.29 176.68 3a15 s ALA 189 N 0.28 2.95 0.02 1.58 0.00 -1.26 -4.66 121.76 120.67 3a15 s ALA 189 Ca 0.52 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 3a15 s ALA 189 Cb -0.28 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.56 3a15 s ALA 189 CO 0.32 -0.47 0.49 -1.54 0.00 0.00 0.00 175.76 174.56 3a15 s SER 190 N -1.59 -0.41 0.00 0.00 1.04 -1.11 -5.04 113.70 106.59 3a15 s SER 190 Ca 0.64 0.23 0.00 0.00 0.48 0.00 0.00 55.95 57.29 3a15 s SER 190 Cb -0.24 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3a15 s SER 190 CO 0.29 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3a15 n GLY 191 N 0.67 -2.89 3.26 7.32 0.00 -1.26 -2.52 105.19 109.78 3a15 n GLY 191 Ca -0.19 -1.89 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 3a15 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a15 s GLU 192 N -0.57 1.21 -0.45 1.61 8.01 -1.26 -4.94 118.70 122.31 3a15 s GLU 192 Ca 0.00 -1.05 -0.28 0.00 0.01 0.00 0.00 54.97 53.65 3a15 s GLU 192 Cb 0.00 -1.39 0.01 0.00 -4.31 0.00 0.00 34.13 28.43 3a15 s GLU 192 CO 0.00 0.34 1.44 -1.17 0.01 0.00 0.00 175.26 175.88 3a15 s LEU 193 N -1.57 3.52 -0.07 1.80 2.96 -1.26 -4.28 118.68 119.78 3a15 s LEU 193 Ca 0.06 0.69 0.05 0.00 -0.22 0.00 0.00 54.13 54.71 3a15 s LEU 193 Cb -0.09 -3.39 -0.00 0.00 0.50 0.00 0.00 46.19 43.20 3a15 s LEU 193 CO 0.03 -1.55 -0.23 -0.13 -1.32 0.00 0.00 176.35 173.16 3a15 s ARG 194 N 5.18 2.61 -0.07 1.98 0.52 -0.89 -0.77 118.95 127.52 3a15 s ARG 194 Ca 0.60 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.69 3a15 s ARG 194 Cb -0.13 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.21 3a15 s ARG 194 CO 0.30 0.25 1.26 0.08 0.02 0.00 0.00 175.30 177.22 3a15 s VAL 195 N 0.13 4.15 -0.38 3.52 1.01 0.23 -0.10 120.40 128.95 3a15 s VAL 195 Ca -0.11 1.47 0.11 0.00 0.00 0.00 0.00 61.98 63.45 3a15 s VAL 195 Cb -0.15 -3.94 -0.14 0.00 0.00 0.00 0.00 36.38 32.14 3a15 s VAL 195 CO 0.06 -0.03 0.42 2.30 0.00 0.00 0.00 175.10 177.84 3a15 n ILE 196 N 4.80 0.00 -3.71 2.22 -5.35 0.76 -4.01 119.36 114.07 3a15 n ILE 196 Ca 0.12 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.23 3a15 n ILE 196 Cb 0.45 0.77 -0.09 0.00 -1.74 0.00 0.00 39.64 39.03 3a15 n ILE 196 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a15 s ALA 197 N -2.30 -1.16 0.00 -1.28 0.00 -1.08 -4.95 121.76 110.99 3a15 s ALA 197 Ca 0.02 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3a15 s ALA 197 Cb 0.08 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.43 3a15 s ALA 197 CO 0.48 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.42 3a15 n GLY 198 N 2.88 -1.42 3.02 0.00 0.00 -1.26 -1.12 105.19 107.29 3a15 n GLY 198 Ca -0.14 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 3a15 n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a15 s ASP 199 N -4.00 0.30 0.41 1.61 -1.08 -1.26 -4.93 116.67 107.72 3a15 s ASP 199 Ca 0.00 0.52 0.18 0.00 -0.52 0.00 0.00 52.55 52.73 3a15 s ASP 199 Cb 0.00 0.91 1.09 0.00 -1.46 0.00 0.00 42.92 43.46 3a15 s ASP 199 CO 0.00 -0.26 1.81 -0.65 0.52 0.00 0.00 175.17 176.59 3a15 h PRO 200 N 8.24 0.40 0.00 4.34 0.11 -1.91 0.21 132.00 143.39 3a15 h PRO 200 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3a15 h PRO 200 Cb 1.13 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3a15 h PRO 200 CO 0.18 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 3a15 h ALA 201 N 1.61 1.00 0.01 -0.75 0.00 -1.94 -3.27 119.26 115.91 3a15 h ALA 201 Ca 0.53 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 55.08 3a15 h ALA 201 Cb 1.33 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 3a15 h ALA 201 CO -0.23 0.00 -2.29 0.28 0.00 0.00 0.00 179.25 177.01 3a15 n VAL 202 N -2.79 1.47 -1.28 0.00 0.31 0.05 -4.96 118.33 111.13 3a15 n VAL 202 Ca 0.01 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 3a15 n VAL 202 Cb 0.29 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 3a15 n VAL 202 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a15 n GLY 203 N 1.86 -0.50 7.00 2.92 0.00 -1.15 -5.08 105.19 110.24 3a15 n GLY 203 Ca -0.34 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3a15 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a15 n GLY 204 N 0.00 0.88 3.72 -0.02 0.00 -1.26 -4.61 105.19 103.91 3a15 n GLY 204 Ca 0.00 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 3a15 n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a15 s ARG 205 N 0.00 4.50 -0.02 1.61 0.52 -1.26 -0.93 118.95 123.37 3a15 s ARG 205 Ca 0.00 1.11 0.01 0.00 -0.52 0.00 0.00 55.73 56.33 3a15 s ARG 205 Cb 0.00 -3.42 0.02 0.00 0.52 0.00 0.00 34.95 32.06 3a15 s ARG 205 CO 0.00 0.10 -0.01 0.08 0.02 0.00 0.00 175.30 175.49 3a15 s VAL 206 N 0.58 0.20 -0.11 3.52 1.01 0.72 -4.20 120.40 122.12 3a15 s VAL 206 Ca 0.42 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3a15 s VAL 206 Cb -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.94 3a15 s VAL 206 CO 0.23 0.12 -0.22 -0.69 0.00 0.00 0.00 175.10 174.53 3a15 s VAL 207 N 0.64 1.96 -0.10 2.92 1.01 -0.27 -0.76 120.40 125.80 3a15 s VAL 207 Ca -0.06 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3a15 s VAL 207 Cb -0.09 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 3a15 s VAL 207 CO -0.01 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 174.79 3a15 s VAL 208 N 0.51 2.94 -0.16 2.92 1.01 0.13 -0.17 120.40 127.58 3a15 s VAL 208 Ca -0.15 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 3a15 s VAL 208 Cb -0.17 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3a15 s VAL 208 CO 0.05 0.55 0.24 -0.60 0.00 0.00 0.00 175.10 175.34 3a15 s ARG 209 N 0.00 4.18 1.03 2.72 3.52 0.85 -2.77 118.95 128.49 3a15 s ARG 209 Ca -0.04 -0.00 -0.16 0.00 -0.13 0.00 0.00 55.73 55.40 3a15 s ARG 209 Cb -0.14 -3.40 0.21 0.00 -1.56 0.00 0.00 34.95 30.05 3a15 s ARG 209 CO 0.04 0.30 1.17 0.20 -0.81 0.00 0.00 175.30 176.20 3a15 s GLY 210 N 0.30 1.62 0.39 8.12 0.00 -1.26 -2.09 107.32 114.40 3a15 s GLY 210 Ca 0.14 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 44.09 3a15 s GLY 210 CO 0.02 -0.09 0.04 -2.38 0.00 0.00 0.00 173.10 170.69 3a15 s HIS 211 N -3.30 2.17 0.21 1.90 -3.43 -1.26 -4.74 115.29 106.83 3a15 s HIS 211 Ca 0.69 -0.87 -0.32 0.00 -0.80 0.00 0.00 55.06 53.76 3a15 s HIS 211 Cb -0.11 -1.52 -0.12 0.00 -1.43 0.00 0.00 32.58 29.40 3a15 s HIS 211 CO 0.55 0.19 1.69 -0.25 -2.00 0.00 0.00 174.74 174.92 3a15 n ASP 212 N -0.94 3.82 -2.78 7.38 8.00 -1.05 -3.06 116.55 127.92 3a15 n ASP 212 Ca -0.06 1.07 -0.21 0.00 0.71 0.00 0.00 54.79 56.30 3a15 n ASP 212 Cb 0.67 -1.55 0.03 0.00 -0.02 0.00 0.00 41.12 40.25 3a15 n ASP 212 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a15 n ASN 213 N 3.75 -5.89 -4.76 -2.24 3.02 0.86 -2.76 115.26 107.24 3a15 n ASN 213 Ca 0.16 -0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.06 3a15 n ASN 213 Cb 0.34 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.78 3a15 n ASN 213 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3a15 n ILE 214 N -4.41 2.13 -4.37 2.41 5.41 -1.17 -4.11 119.36 115.25 3a15 n ILE 214 Ca -0.12 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.81 3a15 n ILE 214 Cb 0.62 -1.89 -0.10 0.00 -0.71 0.00 0.00 39.64 37.57 3a15 n ILE 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3a15 s ALA 215 N -1.13 3.12 -0.12 -1.39 0.00 -0.61 -2.86 121.76 118.77 3a15 s ALA 215 Ca 0.55 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3a15 s ALA 215 Cb -0.49 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.45 3a15 s ALA 215 CO 0.63 0.63 -0.18 -1.17 0.00 0.00 0.00 175.76 175.67 3a15 s LEU 216 N -1.55 1.87 -0.13 0.00 2.96 -0.23 -0.12 118.68 121.49 3a15 s LEU 216 Ca 0.19 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 3a15 s LEU 216 Cb -0.11 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 3a15 s LEU 216 CO 0.09 0.05 -0.08 -0.51 -1.32 0.00 0.00 176.35 174.58 3a15 s ILE 217 N 0.87 3.49 -0.27 6.68 2.07 -0.30 -1.06 121.20 132.67 3a15 s ILE 217 Ca -0.08 -0.51 -0.03 0.00 -1.41 0.00 0.00 60.65 58.61 3a15 s ILE 217 Cb -0.15 -2.48 0.03 0.00 0.13 0.00 0.00 42.46 39.98 3a15 s ILE 217 CO -0.01 0.53 -0.01 -0.60 -1.91 0.00 0.00 174.94 172.94 3a15 s ARG 218 N 0.11 2.83 -0.18 3.50 3.52 -0.15 -0.99 118.95 127.59 3a15 s ARG 218 Ca -0.03 -1.00 0.01 0.00 -0.13 0.00 0.00 55.73 54.58 3a15 s ARG 218 Cb -0.14 -3.13 0.03 0.00 -1.56 0.00 0.00 34.95 30.14 3a15 s ARG 218 CO 0.04 -0.45 -0.17 0.45 -0.81 0.00 0.00 175.30 174.35 3a15 s SER 219 N 1.36 3.18 0.32 -2.12 0.15 -1.03 -0.76 113.70 114.80 3a15 s SER 219 Ca -0.00 -0.71 0.09 0.00 0.70 0.00 0.00 55.95 56.03 3a15 s SER 219 Cb -0.17 -1.39 -0.06 0.00 -1.71 0.00 0.00 66.02 62.68 3a15 s SER 219 CO -0.02 -0.05 -0.09 -0.83 1.20 0.00 0.00 173.24 173.46 3a15 s GLY 220 N 1.33 2.05 -0.04 9.45 0.00 0.14 -0.68 107.32 119.57 3a15 s GLY 220 Ca 0.03 -2.01 -0.01 0.00 0.00 0.00 0.00 44.72 42.73 3a15 s GLY 220 CO -0.11 -1.96 0.02 1.20 0.00 0.00 0.00 173.10 172.25 3a15 s GLN 221 N -3.64 0.19 -0.20 2.90 1.11 -0.25 -2.55 119.66 117.21 3a15 s GLN 221 Ca 0.31 0.19 -0.01 0.00 0.01 0.00 0.00 55.36 55.86 3a15 s GLN 221 Cb 0.02 -0.53 0.06 0.00 -1.01 0.00 0.00 33.01 31.55 3a15 s GLN 221 CO 0.15 -0.22 -0.01 0.34 0.01 0.00 0.00 175.29 175.55 3a15 s ASP 222 N 1.51 3.22 -0.10 5.90 -1.08 -0.06 -0.51 116.67 125.54 3a15 s ASP 222 Ca -0.03 -0.92 0.14 0.00 -0.52 0.00 0.00 52.55 51.22 3a15 s ASP 222 Cb -0.13 -0.85 0.29 0.00 -1.46 0.00 0.00 42.92 40.77 3a15 s ASP 222 CO -0.03 -0.26 1.19 -2.67 0.52 0.00 0.00 175.17 173.92 3a15 n TRP 223 N 4.89 0.24 0.26 -5.34 2.14 -0.62 -1.00 117.44 118.01 3a15 n TRP 223 Ca -0.10 -0.83 0.10 0.00 2.07 0.00 0.00 57.50 58.74 3a15 n TRP 223 Cb 0.46 -0.16 0.68 0.00 -0.81 0.00 0.00 31.31 31.49 3a15 n TRP 223 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3a15 h ALA 224 N 0.56 1.61 -0.07 -1.67 0.00 -1.84 -2.39 119.26 115.45 3a15 h ALA 224 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3a15 h ALA 224 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3a15 h ALA 224 CO 0.05 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.16 3a15 n ASP 225 N -4.08 2.78 -4.75 0.00 8.00 -1.26 -4.97 116.55 112.28 3a15 n ASP 225 Ca -0.03 -1.86 -0.41 0.00 0.71 0.00 0.00 54.79 53.20 3a15 n ASP 225 Cb 0.18 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3a15 n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a15 s ALA 226 N -1.65 3.48 0.86 2.24 0.00 -0.90 -4.93 121.76 120.85 3a15 s ALA 226 Ca 0.25 1.05 -0.10 0.00 0.00 0.00 0.00 51.96 53.17 3a15 s ALA 226 Cb 0.17 -3.44 0.17 0.00 0.00 0.00 0.00 23.12 20.03 3a15 s ALA 226 CO 0.26 -0.44 1.18 -1.21 0.00 0.00 0.00 175.76 175.55 3a15 s GLU 227 N -0.66 1.09 0.20 0.00 0.41 -1.26 -4.69 118.70 113.79 3a15 s GLU 227 Ca 0.52 -0.70 -0.15 0.00 -0.41 0.00 0.00 54.97 54.23 3a15 s GLU 227 Cb -0.35 -2.05 0.20 0.00 -1.78 0.00 0.00 34.13 30.15 3a15 s GLU 227 CO 0.41 -2.00 1.62 0.00 -0.49 0.00 0.00 175.26 174.79 3a15 h ALA 228 N -1.17 0.30 -0.48 5.21 0.00 -1.99 -0.46 119.26 120.67 3a15 h ALA 228 Ca -0.41 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3a15 h ALA 228 Cb 1.25 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3a15 h ALA 228 CO 0.39 -0.49 -0.19 0.38 0.00 0.00 0.00 179.25 179.34 3a15 h ASP 229 N -0.05 0.97 -0.02 0.00 3.04 -1.99 -1.80 116.42 116.57 3a15 h ASP 229 Ca 0.28 -0.35 -0.16 0.00 -3.24 0.00 0.00 57.03 53.56 3a15 h ASP 229 Cb 0.48 -0.27 -0.01 0.00 -1.04 0.00 0.00 39.33 38.50 3a15 h ASP 229 CO -0.64 1.13 -0.53 -0.08 -2.04 0.00 0.00 179.24 177.07 3a15 h GLU 230 N 0.83 0.60 -0.74 4.15 4.81 -1.71 -2.33 114.58 120.18 3a15 h GLU 230 Ca 0.11 -0.37 0.07 0.00 -0.13 0.00 0.00 59.36 59.05 3a15 h GLU 230 Cb 0.75 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.11 3a15 h GLU 230 CO 0.06 0.98 0.43 0.00 -0.73 0.00 0.00 179.01 179.74 3a15 h ARG 231 N 0.46 0.74 -0.29 1.92 3.08 -0.84 -0.30 114.38 119.15 3a15 h ARG 231 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3a15 h ARG 231 Cb 1.07 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3a15 h ARG 231 CO 0.10 0.49 0.19 0.77 -1.07 0.00 0.00 179.97 180.45 3a15 h SER 232 N 0.76 0.34 -0.54 7.04 0.02 -1.17 0.10 113.55 120.10 3a15 h SER 232 Ca 0.34 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.30 3a15 h SER 232 Cb 0.23 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 3a15 h SER 232 CO -0.20 0.26 0.30 -0.07 -1.14 0.00 0.00 176.83 175.98 3a15 h LEU 233 N 0.39 0.46 0.27 5.07 3.38 -0.89 0.87 115.31 124.87 3a15 h LEU 233 Ca 0.11 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3a15 h LEU 233 Cb -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3a15 h LEU 233 CO -0.02 0.32 -0.13 0.22 0.09 0.00 0.00 178.44 178.92 3a15 h TYR 234 N 0.59 -0.34 -0.04 1.13 3.20 -0.87 -2.25 116.97 118.39 3a15 h TYR 234 Ca 0.23 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 3a15 h TYR 234 Cb 0.08 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3a15 h TYR 234 CO -0.08 0.02 -0.48 -0.07 -1.64 0.00 0.00 178.16 175.91 3a15 h LEU 235 N -0.82 0.12 0.00 2.82 3.38 -0.77 0.18 115.31 120.22 3a15 h LEU 235 Ca -0.04 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 3a15 h LEU 235 Cb 0.51 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3a15 h LEU 235 CO 0.06 0.58 -2.11 0.47 0.09 0.00 0.00 178.44 177.53 3a15 n ASP 236 N -3.97 0.03 -0.04 -0.43 8.00 0.29 -4.41 116.55 116.03 3a15 n ASP 236 Ca -0.02 0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 3a15 n ASP 236 Cb 0.51 1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 43.15 3a15 n ASP 236 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a15 n GLU 237 N -2.46 0.19 -0.06 -1.24 -0.58 -0.89 -4.75 120.64 110.86 3a15 n GLU 237 Ca -0.15 0.08 -0.13 0.00 -0.42 0.00 0.00 57.16 56.55 3a15 n GLU 237 Cb 0.79 -0.82 -0.11 0.00 -0.57 0.00 0.00 31.44 30.72 3a15 n GLU 237 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3a15 h ILE 238 N -0.33 1.58 -0.88 -3.67 2.04 -1.07 -3.37 117.51 111.80 3a15 h ILE 238 Ca -0.20 -2.08 0.07 0.00 1.00 0.00 0.00 64.86 63.65 3a15 h ILE 238 Cb 1.06 2.93 -0.07 0.00 -0.74 0.00 0.00 36.82 40.01 3a15 h ILE 238 CO -0.12 0.52 0.55 0.25 0.00 0.00 0.00 178.15 179.34 3a15 h LEU 239 N -0.95 0.85 -1.00 1.44 5.85 -0.86 -1.68 115.31 118.96 3a15 h LEU 239 Ca -0.00 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.85 3a15 h LEU 239 Cb 0.85 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 3a15 h LEU 239 CO 0.00 0.53 0.63 -0.65 -0.34 0.00 0.00 178.44 178.61 3a15 h PRO 240 N 0.98 1.00 -0.39 5.25 0.11 -1.77 0.49 132.00 137.66 3a15 h PRO 240 Ca 0.40 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.36 3a15 h PRO 240 Cb 0.22 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3a15 h PRO 240 CO -0.19 0.66 -0.11 1.79 -0.21 0.00 0.00 178.00 179.94 3a15 h THR 241 N 1.03 1.28 -0.32 -1.15 1.35 -1.49 -1.68 112.91 111.92 3a15 h THR 241 Ca 0.48 -1.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.12 3a15 h THR 241 Cb 0.42 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 3a15 h THR 241 CO -0.25 0.40 0.13 0.25 -0.25 0.00 0.00 175.52 175.81 3a15 h LEU 242 N 0.57 0.44 -0.77 3.87 5.85 -0.88 -2.40 115.31 121.98 3a15 h LEU 242 Ca 0.10 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.73 3a15 h LEU 242 Cb 0.63 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 3a15 h LEU 242 CO 0.04 0.47 0.45 -0.61 -0.34 0.00 0.00 178.44 178.46 3a15 h GLN 243 N 0.37 0.79 -0.75 1.25 5.75 0.05 0.22 115.11 122.80 3a15 h GLN 243 Ca 0.11 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3a15 h GLN 243 Cb 0.17 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3a15 h GLN 243 CO -0.01 0.52 0.38 0.77 -2.65 0.00 0.00 178.83 177.84 3a15 h SER 244 N 0.82 0.96 -0.51 -0.69 0.02 -1.18 -0.47 113.55 112.49 3a15 h SER 244 Ca 0.35 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 3a15 h SER 244 Cb 0.22 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3a15 h SER 244 CO -0.19 0.81 -0.07 1.23 -1.14 0.00 0.00 176.83 177.47 3a15 h GLY 245 N 1.04 1.06 0.93 -3.77 0.00 -0.87 -1.61 103.07 99.86 3a15 h GLY 245 Ca 0.26 -0.81 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 3a15 h GLY 245 CO -0.04 0.75 -0.33 -0.33 0.00 0.00 0.00 176.54 176.59 3a15 h MET 246 N 0.89 0.63 -0.90 4.80 2.07 -0.75 -1.95 114.93 119.71 3a15 h MET 246 Ca 0.15 -0.37 0.07 0.00 -2.07 0.00 0.00 59.70 57.48 3a15 h MET 246 Cb 0.61 0.03 -0.07 0.00 -1.87 0.00 0.00 31.60 30.31 3a15 h MET 246 CO 0.04 0.98 0.56 -0.44 1.07 0.00 0.00 176.91 179.12 3a15 h ASP 247 N 0.32 0.88 0.09 1.22 3.32 -1.06 0.33 116.42 121.52 3a15 h ASP 247 Ca 0.02 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3a15 h ASP 247 Cb 0.91 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3a15 h ASP 247 CO 0.08 0.55 -0.04 0.15 -1.72 0.00 0.00 179.24 178.26 3a15 h PHE 248 N 1.01 -0.11 -0.22 4.55 3.57 -1.07 -1.74 116.94 122.93 3a15 h PHE 248 Ca 0.40 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.80 3a15 h PHE 248 Cb 0.21 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3a15 h PHE 248 CO -0.02 -0.06 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.65 3a15 h LEU 249 N -0.13 0.43 -0.89 0.59 3.38 -0.99 0.32 115.31 118.01 3a15 h LEU 249 Ca -0.01 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3a15 h LEU 249 Cb 0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3a15 h LEU 249 CO 0.02 0.70 0.05 -0.09 0.09 0.00 0.00 178.44 179.21 3a15 h ARG 250 N 0.37 0.87 0.00 1.13 2.43 -0.77 -2.64 114.38 115.78 3a15 h ARG 250 Ca 0.05 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3a15 h ARG 250 Cb 0.68 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3a15 h ARG 250 CO 0.05 0.84 -0.81 -0.25 -1.51 0.00 0.00 179.97 178.29 3a15 n ASP 251 N -4.23 0.83 -0.86 -3.80 8.00 -0.67 -4.43 116.55 111.39 3a15 n ASP 251 Ca 0.03 -0.69 0.05 0.00 0.71 0.00 0.00 54.79 54.89 3a15 n ASP 251 Cb 0.28 1.10 0.10 0.00 -0.02 0.00 0.00 41.12 42.59 3a15 n ASP 251 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a15 n ASN 252 N -1.43 1.30 -0.09 -2.24 3.02 0.09 -4.94 115.26 110.98 3a15 n ASN 252 Ca 0.02 -2.84 -0.10 0.00 -0.03 0.00 0.00 54.58 51.62 3a15 n ASN 252 Cb 0.24 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 3a15 n ASN 252 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3a15 h GLY 253 N 0.74 -0.50 0.16 7.41 0.00 -1.63 -2.60 103.07 106.65 3a15 h GLY 253 Ca -0.09 0.49 0.20 0.00 0.00 0.00 0.00 47.33 47.94 3a15 h GLY 253 CO 0.04 -0.20 0.62 -2.55 0.00 0.00 0.00 176.54 174.44 3a15 h PRO 254 N -0.35 0.60 0.00 4.80 0.11 -1.89 -1.19 132.00 134.08 3a15 h PRO 254 Ca 0.13 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 3a15 h PRO 254 Cb 0.58 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 3a15 h PRO 254 CO -0.51 0.40 -0.12 0.00 -0.21 0.00 0.00 178.00 177.57 3a15 h ALA 255 N 1.63 1.39 -0.00 -0.75 0.00 -1.83 -3.15 119.26 116.55 3a15 h ALA 255 Ca 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3a15 h ALA 255 Cb 1.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3a15 h ALA 255 CO -0.30 0.14 -0.07 1.33 0.00 0.00 0.00 179.25 180.35 3a15 n VAL 256 N -3.79 0.00 -0.46 0.00 0.24 -0.62 -5.00 118.33 108.70 3a15 n VAL 256 Ca -0.02 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 3a15 n VAL 256 Cb 0.22 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 3a15 n VAL 256 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a15 n GLY 257 N 0.58 0.88 3.46 7.63 0.00 -0.69 -4.74 105.19 112.31 3a15 n GLY 257 Ca 0.01 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3a15 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a15 h TYR 259 N 8.65 0.57 -2.41 0.00 0.05 -0.62 -3.33 116.97 119.88 3a15 h TYR 259 Ca -0.27 -0.18 -0.07 0.00 0.05 0.00 0.00 58.73 58.26 3a15 h TYR 259 Cb 1.12 -0.12 -0.24 0.00 1.01 0.00 0.00 36.73 38.50 3a15 h TYR 259 CO 0.56 0.86 -0.14 0.45 -1.05 0.00 0.00 178.16 178.84 3a15 s SER 260 N -6.88 -0.64 -0.08 3.88 0.15 -1.12 -4.68 113.70 104.32 3a15 s SER 260 Ca -0.06 1.12 -0.01 0.00 0.70 0.00 0.00 55.95 57.69 3a15 s SER 260 Cb 0.12 1.05 0.03 0.00 -1.71 0.00 0.00 66.02 65.51 3a15 s SER 260 CO 0.82 -0.20 -0.01 0.21 1.20 0.00 0.00 173.24 175.26 3a15 s ASN 261 N 1.01 1.72 -0.04 5.45 2.47 -1.26 -1.11 114.94 123.18 3a15 s ASN 261 Ca -0.06 -0.14 0.06 0.00 0.42 0.00 0.00 52.86 53.14 3a15 s ASN 261 Cb -0.06 -0.51 -0.02 0.00 -1.45 0.00 0.00 41.25 39.21 3a15 s ASN 261 CO -0.09 -0.18 -0.21 -0.13 -3.72 0.00 0.00 177.10 172.76 3a15 s ARG 262 N 1.93 2.38 -0.24 0.43 0.52 -0.45 -4.64 118.95 118.88 3a15 s ARG 262 Ca 0.05 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 3a15 s ARG 262 Cb -0.12 -2.20 0.04 0.00 0.52 0.00 0.00 34.95 33.19 3a15 s ARG 262 CO -0.06 0.53 -0.12 0.12 0.02 0.00 0.00 175.30 175.79 3a15 s PHE 263 N -0.51 3.11 0.11 -0.53 5.36 -1.26 -0.85 117.98 123.41 3a15 s PHE 263 Ca 0.07 -2.01 0.09 0.00 -0.96 0.00 0.00 56.93 54.12 3a15 s PHE 263 Cb -0.11 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.58 3a15 s PHE 263 CO 0.01 -0.84 -0.23 0.14 -1.46 0.00 0.00 175.22 172.84 3a15 s VAL 264 N 1.19 1.91 -0.12 3.12 -7.23 0.04 -4.75 120.40 114.56 3a15 s VAL 264 Ca -0.04 -1.62 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 3a15 s VAL 264 Cb -0.18 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.03 3a15 s VAL 264 CO -0.07 -0.01 -0.10 -0.60 -0.31 0.00 0.00 175.10 174.02 3a15 s ARG 265 N -1.96 3.30 0.57 4.82 6.06 -0.55 -1.07 118.95 130.12 3a15 s ARG 265 Ca 0.09 -0.62 -0.20 0.00 -2.50 0.00 0.00 55.73 52.50 3a15 s ARG 265 Cb -0.10 -2.68 -0.04 0.00 0.06 0.00 0.00 34.95 32.19 3a15 s ARG 265 CO 0.05 0.32 1.22 -0.80 -2.50 0.00 0.00 175.30 173.59 3a15 s ASN 266 N 0.09 5.31 0.09 -2.12 -0.87 -0.12 -0.48 114.94 116.84 3a15 s ASN 266 Ca -0.04 2.43 0.04 0.00 -1.57 0.00 0.00 52.86 53.71 3a15 s ASN 266 Cb -0.14 -2.60 -0.03 0.00 -0.02 0.00 0.00 41.25 38.45 3a15 s ASN 266 CO 0.04 -1.51 -0.10 0.27 -2.57 0.00 0.00 177.10 173.23 3a15 s ILE 267 N -1.55 0.90 0.85 0.60 -4.36 -0.17 -1.11 121.20 116.36 3a15 s ILE 267 Ca 0.75 -1.57 -0.13 0.00 -0.26 0.00 0.00 60.65 59.45 3a15 s ILE 267 Cb -0.31 -1.27 0.19 0.00 1.25 0.00 0.00 42.46 42.32 3a15 s ILE 267 CO 0.35 -0.53 1.16 -0.90 0.24 0.00 0.00 174.94 175.26 3a15 n ASP 268 N 0.69 0.24 0.22 4.36 5.68 -0.01 -4.44 116.55 123.29 3a15 n ASP 268 Ca -0.17 -1.51 0.15 0.00 -0.50 0.00 0.00 54.79 52.75 3a15 n ASP 268 Cb 0.57 -0.87 0.79 0.00 -1.14 0.00 0.00 41.12 40.48 3a15 n ASP 268 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3a15 h ILE 269 N -1.54 0.64 -0.00 2.12 6.09 -1.98 -0.74 117.51 122.09 3a15 h ILE 269 Ca -0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 3a15 h ILE 269 Cb 1.07 0.91 0.00 0.00 0.47 0.00 0.00 36.82 39.27 3a15 h ILE 269 CO 0.28 0.00 -0.02 0.47 -3.07 0.00 0.00 178.15 175.81 3a15 n ASP 270 N -4.05 0.03 0.00 2.19 8.00 -1.26 -4.89 116.55 116.56 3a15 n ASP 270 Ca 0.00 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.74 3a15 n ASP 270 Cb 0.23 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3a15 n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a15 n GLY 271 N 1.42 0.73 3.77 0.44 0.00 -0.29 -5.05 105.19 106.22 3a15 n GLY 271 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3a15 n GLY 271 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a15 s ASN 272 N -2.28 7.44 0.53 1.61 0.01 -1.26 -4.79 114.94 116.20 3a15 s ASN 272 Ca 0.00 1.70 -0.21 0.00 -0.71 0.00 0.00 52.86 53.64 3a15 s ASN 272 Cb 0.00 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 3a15 s ASN 272 CO 0.00 0.18 1.21 -0.36 -1.51 0.00 0.00 177.10 176.62 3a15 s PHE 273 N -1.04 2.57 0.29 2.20 0.08 -1.26 -0.83 117.98 119.98 3a15 s PHE 273 Ca 0.37 1.50 0.11 0.00 0.12 0.00 0.00 56.93 59.03 3a15 s PHE 273 Cb -0.24 -3.49 -0.05 0.00 -0.57 0.00 0.00 43.02 38.68 3a15 s PHE 273 CO 0.27 -2.03 -0.14 -0.51 -0.10 0.00 0.00 175.22 172.72 3a15 s LEU 274 N -3.57 2.75 -1.33 -0.37 1.43 -0.26 -4.78 118.68 112.55 3a15 s LEU 274 Ca 0.71 -0.97 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 3a15 s LEU 274 Cb -0.31 -1.23 0.07 0.00 0.03 0.00 0.00 46.19 44.75 3a15 s LEU 274 CO 0.36 -0.01 2.55 0.47 0.23 0.00 0.00 176.35 179.95 3a15 n ASP 275 N -0.71 8.11 -3.88 2.29 8.00 -1.26 -4.42 116.55 124.67 3a15 n ASP 275 Ca -0.05 -3.01 -0.11 0.00 0.71 0.00 0.00 54.79 52.32 3a15 n ASP 275 Cb 0.60 -1.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.19 3a15 n ASP 275 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a15 s LEU 276 N -1.61 1.72 0.18 0.64 1.02 -1.26 -1.59 118.68 117.78 3a15 s LEU 276 Ca 0.58 -0.09 -0.04 0.00 0.02 0.00 0.00 54.13 54.59 3a15 s LEU 276 Cb 0.19 0.42 -0.03 0.00 0.02 0.00 0.00 46.19 46.79 3a15 s LEU 276 CO -0.09 -0.21 0.19 -0.94 0.02 0.00 0.00 176.35 175.32 3a15 s SER 277 N -0.78 0.14 0.17 2.29 1.04 0.33 -0.95 113.70 115.94 3a15 s SER 277 Ca -0.09 -1.16 -0.23 0.00 0.48 0.00 0.00 55.95 54.95 3a15 s SER 277 Cb -0.05 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.53 3a15 s SER 277 CO 0.00 -0.86 0.65 -0.72 0.98 0.00 0.00 173.24 173.29 3a15 s TYR 278 N -4.07 -0.45 0.03 5.02 1.13 -0.23 -1.09 117.35 117.69 3a15 s TYR 278 Ca 0.28 0.20 -0.17 0.00 -1.41 0.00 0.00 57.07 55.97 3a15 s TYR 278 Cb 0.05 0.59 -0.06 0.00 -1.10 0.00 0.00 41.96 41.44 3a15 s TYR 278 CO 0.06 -0.90 0.49 1.21 -2.51 0.00 0.00 175.55 173.90 3a15 s ASN 279 N -2.76 6.93 -0.29 -0.18 3.04 0.15 -0.78 114.94 121.04 3a15 s ASN 279 Ca 0.03 1.10 0.03 0.00 0.04 0.00 0.00 52.86 54.06 3a15 s ASN 279 Cb -0.02 -2.30 0.07 0.00 -1.54 0.00 0.00 41.25 37.46 3a15 s ASN 279 CO -0.09 0.29 -0.05 -0.63 -3.04 0.00 0.00 177.10 173.58 3a15 s ILE 280 N -1.03 2.26 -0.15 -5.21 1.01 -0.03 -2.47 121.20 115.57 3a15 s ILE 280 Ca 0.26 -1.84 0.01 0.00 0.00 0.00 0.00 60.65 59.08 3a15 s ILE 280 Cb -0.18 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.88 3a15 s ILE 280 CO 0.16 -0.21 -0.17 -0.83 0.00 0.00 0.00 174.94 173.89 3a15 s GLY 281 N 1.06 1.23 -0.22 6.18 0.00 -0.16 -1.33 107.32 114.08 3a15 s GLY 281 Ca -0.03 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 43.57 3a15 s GLY 281 CO -0.06 0.36 0.17 0.30 0.00 0.00 0.00 173.10 173.88 3a15 s HIS 282 N 1.31 3.36 0.06 1.90 3.76 -0.27 -1.15 115.29 124.26 3a15 s HIS 282 Ca 0.03 0.31 0.09 0.00 -0.15 0.00 0.00 55.06 55.34 3a15 s HIS 282 Cb -0.13 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.28 3a15 s HIS 282 CO -0.10 0.15 -0.25 -1.58 -0.85 0.00 0.00 174.74 172.12 3a15 s TRP 283 N 0.78 2.19 0.31 1.40 0.52 0.83 0.10 118.94 125.06 3a15 s TRP 283 Ca 0.09 -0.40 0.37 0.00 0.02 0.00 0.00 56.10 56.18 3a15 s TRP 283 Cb -0.13 -1.28 1.73 0.00 -1.15 0.00 0.00 33.47 32.64 3a15 s TRP 283 CO 0.02 0.16 2.12 0.00 0.02 0.00 0.00 176.95 179.27 3a15 h ALA 284 N 4.61 1.01 -1.94 0.98 0.00 -0.95 -1.61 119.26 121.36 3a15 h ALA 284 Ca -0.46 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.47 3a15 h ALA 284 Cb 1.15 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.75 3a15 h ALA 284 CO 0.43 0.01 0.41 -1.54 0.00 0.00 0.00 179.25 178.56 3a15 s SER 285 N -5.54 -0.47 0.30 0.00 1.04 -1.26 -4.57 113.70 103.19 3a15 s SER 285 Ca -0.01 0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.79 3a15 s SER 285 Cb 0.11 0.41 0.48 0.00 0.10 0.00 0.00 66.02 67.12 3a15 s SER 285 CO 0.50 -0.52 1.95 0.25 0.98 0.00 0.00 173.24 176.40 3a15 h LEU 286 N 2.53 0.92 -1.06 2.42 5.85 -1.83 -2.75 115.31 121.40 3a15 h LEU 286 Ca -0.23 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 3a15 h LEU 286 Cb 1.18 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3a15 h LEU 286 CO 0.34 0.64 -0.41 -2.24 -0.34 0.00 0.00 178.44 176.43 3a15 h ASP 287 N 1.08 0.11 -0.07 1.25 2.03 -1.95 -0.03 116.42 118.84 3a15 h ASP 287 Ca 0.33 -0.05 -0.10 0.00 -0.73 0.00 0.00 57.03 56.49 3a15 h ASP 287 Cb -0.00 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 3a15 h ASP 287 CO -0.09 0.52 -0.25 1.56 -1.03 0.00 0.00 179.24 179.95 3a15 h GLN 288 N 0.09 0.50 -0.29 4.15 4.20 -1.83 0.12 115.11 122.06 3a15 h GLN 288 Ca 0.01 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 3a15 h GLN 288 Cb 0.77 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3a15 h GLN 288 CO 0.06 0.71 0.10 1.25 -0.67 0.00 0.00 178.83 180.28 3a15 h LEU 289 N 0.44 0.43 -0.69 1.46 5.85 -1.14 -1.62 115.31 120.04 3a15 h LEU 289 Ca 0.06 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.64 3a15 h LEU 289 Cb 0.67 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 3a15 h LEU 289 CO 0.05 0.51 0.40 -0.33 -0.34 0.00 0.00 178.44 178.73 3a15 h GLU 290 N 0.32 0.73 -0.23 1.25 5.08 -0.62 -1.58 114.58 119.52 3a15 h GLU 290 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3a15 h GLU 290 Cb 0.23 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3a15 h GLU 290 CO -0.00 0.48 0.12 0.00 -1.00 0.00 0.00 179.01 178.61 3a15 h ARG 291 N 0.75 0.33 -0.11 2.33 2.47 -0.60 -2.05 114.38 117.51 3a15 h ARG 291 Ca 0.30 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 3a15 h ARG 291 Cb 0.15 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3a15 h ARG 291 CO -0.16 0.33 0.07 2.35 0.56 0.00 0.00 179.97 183.11 3a15 h TRP 292 N 0.25 0.14 -0.54 3.04 7.01 -1.05 -1.04 115.95 123.76 3a15 h TRP 292 Ca 0.08 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 3a15 h TRP 292 Cb 0.10 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.09 3a15 h TRP 292 CO -0.03 0.10 0.17 0.66 -2.79 0.00 0.00 178.44 176.55 3a15 h SER 293 N 0.13 0.74 0.27 2.65 4.64 -1.20 -1.49 113.55 119.29 3a15 h SER 293 Ca 0.04 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3a15 h SER 293 Cb -0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 3a15 h SER 293 CO -0.01 0.71 -1.07 -1.84 -0.87 0.00 0.00 176.83 173.75 3a15 n GLU 294 N -4.30 0.22 0.00 4.77 0.28 -0.78 -4.35 120.64 116.47 3a15 n GLU 294 Ca 0.04 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 3a15 n GLU 294 Cb 0.20 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.52 3a15 n GLU 294 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3a15 n SER 295 N -1.81 0.02 -4.77 -1.84 3.41 -0.41 -4.99 113.62 103.22 3a15 n SER 295 Ca 0.02 -0.13 -0.39 0.00 -0.26 0.00 0.00 58.87 58.11 3a15 n SER 295 Cb 0.41 0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.57 3a15 n SER 295 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3a15 s HIS 296 N -0.27 3.78 0.56 7.33 2.46 -0.56 -4.95 115.29 123.63 3a15 s HIS 296 Ca 0.00 1.41 0.24 0.00 0.47 0.00 0.00 55.06 57.18 3a15 s HIS 296 Cb 0.00 -2.70 1.55 0.00 -0.13 0.00 0.00 32.58 31.30 3a15 s HIS 296 CO 0.00 0.41 2.17 -1.00 -2.47 0.00 0.00 174.74 173.86 3a15 h PRO 297 N 5.11 0.00 0.55 2.88 0.13 -1.97 -2.21 132.00 136.49 3a15 h PRO 297 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3a15 h PRO 297 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 3a15 h PRO 297 CO 0.68 0.00 -0.26 1.79 -0.23 0.00 0.00 178.00 179.97 3a15 h THR 298 N 0.00 0.44 -0.21 1.56 1.35 -1.92 0.40 112.91 114.53 3a15 h THR 298 Ca 0.03 -0.14 -0.12 0.00 -0.55 0.00 0.00 66.41 65.64 3a15 h THR 298 Cb 0.14 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 3a15 h THR 298 CO -0.00 0.02 -0.36 -0.74 -0.25 0.00 0.00 175.52 174.19 3a15 h HIS 299 N -0.83 0.53 -0.29 4.73 -0.00 -1.79 -2.33 115.15 115.16 3a15 h HIS 299 Ca -0.08 -0.14 -0.07 0.00 -0.00 0.00 0.00 60.37 60.08 3a15 h HIS 299 Cb 0.60 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 3a15 h HIS 299 CO -0.02 0.76 -0.13 -0.07 -0.00 0.00 0.00 177.93 178.47 3a15 h LEU 300 N 0.38 0.48 -0.55 0.26 3.38 -1.34 0.83 115.31 118.75 3a15 h LEU 300 Ca 0.04 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3a15 h LEU 300 Cb 0.81 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3a15 h LEU 300 CO 0.07 0.64 -0.06 -0.09 0.09 0.00 0.00 178.44 179.08 3a15 h ARG 301 N 0.46 1.01 -0.28 1.13 2.43 -0.69 -0.16 114.38 118.27 3a15 h ARG 301 Ca 0.08 -0.35 0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3a15 h ARG 301 Cb 0.50 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3a15 h ARG 301 CO 0.03 1.04 0.16 0.82 -1.51 0.00 0.00 179.97 180.51 3a15 h ILE 302 N 0.89 1.02 0.39 1.20 2.04 -0.85 -1.24 117.51 120.96 3a15 h ILE 302 Ca 0.15 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3a15 h ILE 302 Cb 0.62 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3a15 h ILE 302 CO 0.04 0.06 -0.22 0.15 0.00 0.00 0.00 178.15 178.18 3a15 h PHE 303 N 0.33 -0.58 -0.60 1.37 3.57 -0.69 -0.57 116.94 119.77 3a15 h PHE 303 Ca 0.11 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3a15 h PHE 303 Cb 0.00 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3a15 h PHE 303 CO -0.08 -0.35 0.04 1.79 -2.23 0.00 0.00 178.31 177.48 3a15 h THR 304 N -0.58 1.26 -0.61 4.41 1.35 -1.02 -2.46 112.91 115.26 3a15 h THR 304 Ca -0.05 -1.08 -0.02 0.00 -0.55 0.00 0.00 66.41 64.72 3a15 h THR 304 Cb 0.47 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 67.61 3a15 h THR 304 CO 0.06 0.39 0.32 0.74 -0.25 0.00 0.00 175.52 176.78 3a15 h THR 305 N 0.95 1.21 -0.16 6.82 2.02 -1.15 -1.50 112.91 121.09 3a15 h THR 305 Ca 0.18 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.85 3a15 h THR 305 Cb 0.49 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3a15 h THR 305 CO 0.02 0.23 -0.11 0.15 0.37 0.00 0.00 175.52 176.18 3a15 h PHE 306 N 0.84 -0.28 -0.04 3.16 3.57 -0.77 -2.09 116.94 121.32 3a15 h PHE 306 Ca 0.21 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 3a15 h PHE 306 Cb 0.08 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3a15 h PHE 306 CO -0.00 -0.17 -0.37 0.74 -2.23 0.00 0.00 178.31 176.27 3a15 h PHE 307 N -0.12 0.10 -0.81 0.41 0.04 -1.28 0.11 116.94 115.38 3a15 h PHE 307 Ca 0.10 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.85 3a15 h PHE 307 Cb 0.26 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 3a15 h PHE 307 CO -0.25 0.45 0.53 -0.09 -0.60 0.00 0.00 178.31 178.34 3a15 h ARG 308 N 0.07 1.08 -0.01 1.51 2.43 -0.77 -3.25 114.38 115.44 3a15 h ARG 308 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3a15 h ARG 308 Cb 0.69 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3a15 h ARG 308 CO 0.05 0.72 -0.31 1.33 -1.51 0.00 0.00 179.97 180.25 3a15 n VAL 309 N -4.40 0.00 -0.25 0.20 0.24 -0.83 -4.69 118.33 108.59 3a15 n VAL 309 Ca 0.09 -0.35 0.18 0.00 -2.04 0.00 0.00 64.34 62.22 3a15 n VAL 309 Cb 0.03 1.15 0.49 0.00 -1.47 0.00 0.00 33.84 34.04 3a15 n VAL 309 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a15 h ALA 310 N 2.36 2.13 0.00 2.33 0.00 -0.82 -1.04 119.26 124.21 3a15 h ALA 310 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a15 h ALA 310 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3a15 h ALA 310 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.84 3a15 h ALA 311 N 1.61 1.00 -0.13 0.00 0.00 -1.84 -1.38 119.26 118.53 3a15 h ALA 311 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3a15 h ALA 311 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3a15 h ALA 311 CO -0.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.47 3a15 n GLY 312 N -0.89 0.76 3.95 0.00 0.00 -0.40 -4.95 105.19 103.66 3a15 n GLY 312 Ca -0.02 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 3a15 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a15 s LEU 313 N -1.81 4.19 0.00 0.99 1.43 -0.52 -4.69 118.68 118.27 3a15 s LEU 313 Ca 0.34 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 3a15 s LEU 313 Cb 0.20 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.35 3a15 s LEU 313 CO 0.31 -0.14 0.00 -1.54 0.23 0.00 0.00 176.35 175.20 3a15 n SER 314 N -1.40 0.00 0.02 2.29 3.41 -1.26 -4.98 113.62 111.70 3a15 n SER 314 Ca -0.07 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.65 3a15 n SER 314 Cb 0.56 0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 64.59 3a15 n SER 314 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a15 n LYS 315 N -1.85 0.60 -1.72 4.33 4.76 -1.26 -4.93 118.16 118.09 3a15 n LYS 315 Ca 0.00 -0.09 -0.43 0.00 -2.87 0.00 0.00 58.31 54.92 3a15 n LYS 315 Cb 0.00 -1.61 -0.02 0.00 -1.84 0.00 0.00 35.03 31.56 3a15 n LYS 315 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3a15 n LEU 316 N -2.33 3.93 -4.23 -0.35 7.94 -1.26 -4.66 117.00 116.04 3a15 n LEU 316 Ca -0.02 1.14 -0.35 0.00 -1.11 0.00 0.00 56.01 55.67 3a15 n LEU 316 Cb 0.55 -1.54 -0.14 0.00 0.53 0.00 0.00 43.42 42.82 3a15 n LEU 316 CO 0.44 -0.06 -0.36 -0.13 -1.11 0.00 0.00 177.39 176.16 3a15 s ARG 317 N -0.40 2.83 -0.04 1.96 0.52 -0.17 -4.99 118.95 118.65 3a15 s ARG 317 Ca 0.66 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.92 3a15 s ARG 317 Cb -0.55 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 31.79 3a15 s ARG 317 CO 0.48 -0.45 -0.20 -0.51 0.02 0.00 0.00 175.30 174.64 3a15 s LEU 318 N 1.36 2.40 0.18 2.53 1.43 -1.26 -0.89 118.68 124.43 3a15 s LEU 318 Ca -0.00 -0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 52.53 3a15 s LEU 318 Cb -0.17 -1.45 0.06 0.00 0.03 0.00 0.00 46.19 44.65 3a15 s LEU 318 CO -0.02 0.32 0.69 -0.72 0.23 0.00 0.00 176.35 176.85 3a15 s TYR 319 N -0.61 -0.39 0.11 0.29 1.13 -1.06 -1.35 117.35 115.48 3a15 s TYR 319 Ca 0.09 0.10 -0.06 0.00 -1.41 0.00 0.00 57.07 55.79 3a15 s TYR 319 Cb -0.11 0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 41.35 3a15 s TYR 319 CO 0.00 -0.94 0.16 -3.38 -2.51 0.00 0.00 175.55 168.89 3a15 s HIS 320 N -3.71 0.39 -0.02 -3.49 -3.43 -0.18 -0.69 115.29 104.16 3a15 s HIS 320 Ca 0.05 -0.81 0.03 0.00 -0.80 0.00 0.00 55.06 53.53 3a15 s HIS 320 Cb -0.03 -0.17 -0.00 0.00 -1.43 0.00 0.00 32.58 30.95 3a15 s HIS 320 CO -0.05 -0.57 -0.10 -1.83 -2.00 0.00 0.00 174.74 170.19 3a15 s GLU 321 N -3.93 0.89 -0.03 -0.38 -1.05 0.06 -1.30 118.70 112.97 3a15 s GLU 321 Ca 0.12 -0.34 0.02 0.00 -0.15 0.00 0.00 54.97 54.62 3a15 s GLU 321 Cb 0.05 -0.85 0.01 0.00 -0.44 0.00 0.00 34.13 32.90 3a15 s GLU 321 CO -0.06 0.17 -0.06 0.08 0.95 0.00 0.00 175.26 176.34 3a15 s VAL 322 N -0.04 0.58 0.08 1.83 1.01 -0.46 -0.98 120.40 122.43 3a15 s VAL 322 Ca 0.01 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.79 3a15 s VAL 322 Cb -0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3a15 s VAL 322 CO 0.00 0.20 -0.11 -0.44 0.00 0.00 0.00 175.10 174.75 3a15 s SER 323 N 0.36 1.47 0.22 3.32 0.01 -0.23 -0.89 113.70 117.96 3a15 s SER 323 Ca -0.05 -0.72 0.09 0.00 1.31 0.00 0.00 55.95 56.59 3a15 s SER 323 Cb -0.09 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 3a15 s SER 323 CO 0.00 -0.19 -0.17 0.68 0.41 0.00 0.00 173.24 173.97 3a15 s VAL 324 N -1.93 1.97 -0.01 3.43 -7.23 -0.24 -1.07 120.40 115.31 3a15 s VAL 324 Ca 0.01 -2.22 -0.04 0.00 -1.81 0.00 0.00 61.98 57.92 3a15 s VAL 324 Cb -0.06 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3a15 s VAL 324 CO 0.01 -0.49 0.08 -0.36 -0.31 0.00 0.00 175.10 174.03 3a15 s PHE 325 N -2.69 0.02 0.72 2.82 0.08 -1.14 -4.55 117.98 113.25 3a15 s PHE 325 Ca 0.24 -0.03 -0.14 0.00 0.12 0.00 0.00 56.93 57.11 3a15 s PHE 325 Cb -0.03 -0.04 0.03 0.00 -0.57 0.00 0.00 43.02 42.42 3a15 s PHE 325 CO 0.09 -0.16 1.14 -0.51 -0.10 0.00 0.00 175.22 175.69 3a15 s ASP 326 N -0.72 4.53 0.26 1.36 1.01 -1.26 -0.10 116.67 121.74 3a15 s ASP 326 Ca -0.08 2.11 -0.02 0.00 0.71 0.00 0.00 52.55 55.27 3a15 s ASP 326 Cb -0.05 -2.56 0.50 0.00 1.01 0.00 0.00 42.92 41.82 3a15 s ASP 326 CO 0.00 -2.03 1.75 0.00 0.21 0.00 0.00 175.17 175.11 3a15 h ALA 327 N -0.39 1.19 0.00 5.23 0.00 -1.85 -2.11 119.26 121.33 3a15 h ALA 327 Ca -0.46 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3a15 h ALA 327 Cb 1.26 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3a15 h ALA 327 CO 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 3a15 h ALA 328 N 1.55 1.02 -0.41 0.00 0.00 -1.92 -3.04 119.26 116.46 3a15 h ALA 328 Ca 0.44 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 3a15 h ALA 328 Cb 0.65 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3a15 h ALA 328 CO -0.38 0.04 0.11 -0.25 0.00 0.00 0.00 179.25 178.77 3a15 n ASP 329 N -3.15 3.72 -3.99 0.00 8.00 -0.79 -4.86 116.55 115.48 3a15 n ASP 329 Ca -0.00 -2.66 -0.17 0.00 0.71 0.00 0.00 54.79 52.66 3a15 n ASP 329 Cb 0.29 -0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 40.60 3a15 n ASP 329 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3a15 s GLN 330 N -2.02 0.59 -0.03 -1.24 -0.21 -1.15 -0.87 119.66 114.72 3a15 s GLN 330 Ca 0.33 -0.25 -0.01 0.00 0.02 0.00 0.00 55.36 55.45 3a15 s GLN 330 Cb 0.26 -0.57 0.03 0.00 1.00 0.00 0.00 33.01 33.73 3a15 s GLN 330 CO 0.09 0.15 0.05 -1.17 -2.12 0.00 0.00 175.29 172.28 3a15 s LEU 331 N -0.13 0.62 -0.19 2.90 0.20 0.12 -4.51 118.68 117.68 3a15 s LEU 331 Ca 0.02 0.07 -0.00 0.00 0.69 0.00 0.00 54.13 54.92 3a15 s LEU 331 Cb -0.03 -0.08 0.05 0.00 -0.43 0.00 0.00 46.19 45.70 3a15 s LEU 331 CO -0.00 -0.19 -0.06 -0.31 -0.29 0.00 0.00 176.35 175.50 3a15 s TYR 332 N 1.59 2.00 -0.05 5.38 2.02 -1.11 -0.50 117.35 126.68 3a15 s TYR 332 Ca -0.03 -1.36 0.03 0.00 -0.37 0.00 0.00 57.07 55.34 3a15 s TYR 332 Cb -0.12 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 3a15 s TYR 332 CO -0.03 -0.69 -0.13 -1.21 -1.57 0.00 0.00 175.55 171.92 3a15 s GLU 333 N 1.53 1.58 -0.02 -0.62 2.02 0.46 -0.69 118.70 122.96 3a15 s GLU 333 Ca -0.02 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.54 3a15 s GLU 333 Cb -0.17 -1.36 -0.00 0.00 0.10 0.00 0.00 34.13 32.71 3a15 s GLU 333 CO -0.07 0.13 -0.10 0.71 0.02 0.00 0.00 175.26 175.95 3a15 s TYR 334 N 0.32 0.93 -0.14 1.61 1.51 0.06 -0.63 117.35 121.01 3a15 s TYR 334 Ca -0.08 -0.20 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 3a15 s TYR 334 Cb -0.13 -0.63 0.03 0.00 -0.11 0.00 0.00 41.96 41.12 3a15 s TYR 334 CO 0.02 -0.06 -0.08 0.42 -1.11 0.00 0.00 175.55 174.75 3a15 s ILE 335 N -0.03 1.17 -1.60 2.71 1.01 0.97 -0.20 121.20 125.24 3a15 s ILE 335 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 3a15 s ILE 335 Cb -0.06 -1.24 0.12 0.00 0.01 0.00 0.00 42.46 41.28 3a15 s ILE 335 CO 0.00 0.27 0.89 0.59 0.00 0.00 0.00 174.94 176.69 3a15 n ASN 336 N 4.88 -4.22 -4.90 3.58 3.02 -0.11 -0.71 115.26 116.80 3a15 n ASN 336 Ca -0.13 -0.86 -0.31 0.00 -0.03 0.00 0.00 54.58 53.25 3a15 n ASN 336 Cb 0.49 -3.40 -0.05 0.00 -0.61 0.00 0.00 39.78 36.22 3a15 n ASN 336 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a15 s HIS 338 N -1.66 2.21 -1.11 0.00 -3.43 -1.26 -4.69 115.29 105.35 3a15 s HIS 338 Ca 0.41 1.60 0.09 0.00 -0.80 0.00 0.00 55.06 56.35 3a15 s HIS 338 Cb -0.12 -3.36 0.41 0.00 -1.43 0.00 0.00 32.58 28.07 3a15 s HIS 338 CO 0.25 -2.32 1.26 -2.30 -2.00 0.00 0.00 174.74 169.63 3a15 n PRO 339 N -2.72 0.03 -0.16 -0.38 -0.02 -1.26 -1.68 135.00 128.81 3a15 n PRO 339 Ca 0.12 0.31 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3a15 n PRO 339 Cb 0.51 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.77 3a15 n PRO 339 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a15 n GLY 340 N -0.55 1.04 3.68 -1.23 0.00 -1.26 -2.97 105.19 103.89 3a15 n GLY 340 Ca 0.03 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 3a15 n GLY 340 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a15 s THR 341 N -1.57 4.34 0.00 2.61 2.01 -0.68 -4.54 115.64 117.82 3a15 s THR 341 Ca 0.35 1.64 0.00 0.00 0.31 0.00 0.00 61.69 63.99 3a15 s THR 341 Cb 0.19 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.64 3a15 s THR 341 CO 0.27 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 3a15 n GLY 342 N 3.41 2.81 0.00 4.40 0.00 -1.26 -0.64 105.19 113.91 3a15 n GLY 342 Ca 0.12 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.38 3a15 n GLY 342 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a15 n MET 343 N 14.00 0.59 0.07 1.61 0.00 -1.26 -3.30 117.12 128.83 3a15 n MET 343 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 57.70 57.70 3a15 n MET 343 Cb 0.00 -1.50 0.22 0.00 0.00 0.00 0.00 33.22 31.94 3a15 n MET 343 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3a15 h LEU 344 N 0.00 0.34 -0.19 4.03 3.38 -1.15 -3.11 115.31 118.61 3a15 h LEU 344 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3a15 h LEU 344 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3a15 h LEU 344 CO 0.00 0.67 0.10 -0.09 0.09 0.00 0.00 178.44 179.20 3a15 h ARG 345 N 0.28 0.27 -0.01 1.13 2.43 -1.52 -3.30 114.38 113.66 3a15 h ARG 345 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a15 h ARG 345 Cb 0.75 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3a15 h ARG 345 CO 0.06 0.28 -0.32 -0.25 -1.51 0.00 0.00 179.97 178.23 3a15 n ASP 346 N -4.89 1.59 -4.77 -3.80 8.00 -1.25 -4.99 116.55 106.44 3a15 n ASP 346 Ca -0.04 -1.30 -0.41 0.00 0.71 0.00 0.00 54.79 53.76 3a15 n ASP 346 Cb 0.08 0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 41.64 3a15 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a15 s ALA 347 N -1.84 3.50 0.00 2.24 0.00 -1.17 -4.91 121.76 119.58 3a15 s ALA 347 Ca 0.13 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 3a15 s ALA 347 Cb 0.12 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3a15 s ALA 347 CO 0.39 -0.92 0.19 0.14 0.00 0.00 0.00 175.76 175.56 3a15 s VAL 348 N -1.14 5.43 0.72 0.00 -7.23 0.05 -4.80 120.40 113.42 3a15 s VAL 348 Ca 0.52 -0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.39 3a15 s VAL 348 Cb -0.43 -3.56 0.02 0.00 0.56 0.00 0.00 36.38 32.97 3a15 s VAL 348 CO 0.58 0.29 1.07 0.42 -0.31 0.00 0.00 175.10 177.16 3a15 s THR 349 N -1.36 3.77 0.39 5.32 -4.23 -1.26 -0.60 115.64 117.67 3a15 s THR 349 Ca 0.29 0.57 0.19 0.00 -1.18 0.00 0.00 61.69 61.56 3a15 s THR 349 Cb -0.13 -3.38 0.39 0.00 1.34 0.00 0.00 72.50 70.73 3a15 s THR 349 CO 0.20 -0.75 1.74 -0.29 -0.54 0.00 0.00 174.62 174.99 3a15 h ILE 350 N -0.77 0.47 -0.03 2.99 6.09 -1.95 -0.05 117.51 124.26 3a15 h ILE 350 Ca -0.45 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 3a15 h ILE 350 Cb 1.23 0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.58 3a15 h ILE 350 CO 0.59 0.07 0.00 0.00 -3.07 0.00 0.00 178.15 175.74 3a15 n ALA 351 N -2.45 2.55 0.91 0.18 0.00 -1.26 -3.86 120.51 116.57 3a15 n ALA 351 Ca 0.27 -0.50 0.12 0.00 0.00 0.00 0.00 53.44 53.33 3a15 n ALA 351 Cb 0.93 -1.09 0.19 0.00 0.00 0.00 0.00 19.45 19.49 3a15 n ALA 351 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a15 n GLU 352 N 0.42 2.26 0.00 0.00 1.02 -0.03 -5.25 120.64 119.06 3a15 n GLU 352 Ca 0.18 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.47 3a15 n GLU 352 Cb 0.40 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3a15 n GLU 352 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92