#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a15 s SER -8 N 0.00 6.16 0.91 6.43 0.15 -1.26 -5.02 113.70 121.06 3a15 s SER -8 Ca 0.00 0.16 -0.09 0.00 0.70 0.00 0.00 55.95 56.72 3a15 s SER -8 Cb 0.00 -2.15 0.16 0.00 -1.71 0.00 0.00 66.02 62.32 3a15 s SER -8 CO 0.00 -0.05 0.97 0.61 1.20 0.00 0.00 173.24 175.98 3a15 n GLY -7 N 4.58 -0.85 0.28 9.45 0.00 -1.26 -4.97 105.19 112.41 3a15 n GLY -7 Ca -0.12 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 3a15 n GLY -7 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a15 h LEU -6 N 0.00 0.67 -7.41 0.99 5.85 -2.05 -3.32 115.31 110.04 3a15 h LEU -6 Ca -0.32 0.02 -0.66 0.00 0.84 0.00 0.00 57.88 57.76 3a15 h LEU -6 Cb 0.94 -0.12 -0.39 0.00 0.37 0.00 0.00 40.66 41.46 3a15 h LEU -6 CO 0.25 0.44 -0.52 -0.69 -0.34 0.00 0.00 178.44 177.58 3a15 s VAL -5 N -6.09 3.05 0.46 1.05 1.01 -1.26 -5.09 120.40 113.52 3a15 s VAL -5 Ca -0.13 -3.31 -0.24 0.00 0.00 0.00 0.00 61.98 58.30 3a15 s VAL -5 Cb 0.16 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 3a15 s VAL -5 CO 0.77 -0.85 1.28 -2.65 0.00 0.00 0.00 175.10 173.65 3a15 n PRO -4 N 3.10 1.86 -4.31 2.72 -0.02 -1.25 -5.02 135.00 132.08 3a15 n PRO -4 Ca 0.08 0.67 -0.16 0.00 -2.02 0.00 0.00 63.50 62.06 3a15 n PRO -4 Cb 0.34 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 3a15 n PRO -4 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3a15 s ARG -3 N -2.37 1.38 4.32 -0.52 1.70 -1.26 -4.68 118.95 117.52 3a15 s ARG -3 Ca 0.64 -1.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.15 3a15 s ARG -3 Cb -0.48 -0.26 0.00 0.00 -0.57 0.00 0.00 34.95 33.64 3a15 s ARG -3 CO 0.56 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.91 3a15 n GLY -2 N -0.44 2.72 0.11 3.88 0.00 -1.20 -1.65 105.19 108.62 3a15 n GLY -2 Ca -0.01 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.90 3a15 n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a15 n SER -1 N 1.44 0.49 0.01 1.61 3.41 -0.80 -2.08 113.62 117.70 3a15 n SER -1 Ca 0.00 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.40 3a15 n SER -1 Cb 0.00 -0.75 0.53 0.00 -0.26 0.00 0.00 64.21 63.73 3a15 n SER -1 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3a15 n HIS 0 N -2.09 0.12 -1.75 7.33 8.25 -0.66 -4.88 115.22 121.55 3a15 n HIS 0 Ca 0.01 0.03 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 3a15 n HIS 0 Cb 0.14 -0.52 0.04 0.00 1.12 0.00 0.00 29.99 30.77 3a15 n HIS 0 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3a15 s MET 1 N -3.02 3.08 0.73 -0.41 -1.94 -0.88 -4.75 119.30 112.10 3a15 s MET 1 Ca 0.13 1.04 -0.14 0.00 -1.71 0.00 0.00 55.69 55.01 3a15 s MET 1 Cb 0.18 -2.01 0.04 0.00 2.01 0.00 0.00 34.83 35.05 3a15 s MET 1 CO 0.57 -0.99 1.17 -1.21 -0.01 0.00 0.00 175.02 174.55 3a15 s GLU 2 N -4.69 2.21 0.04 2.03 2.02 -1.22 -4.79 118.70 114.29 3a15 s GLU 2 Ca 0.60 1.62 -0.03 0.00 0.02 0.00 0.00 54.97 57.18 3a15 s GLU 2 Cb -0.15 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 3a15 s GLU 2 CO 0.48 -1.75 0.25 0.45 0.02 0.00 0.00 175.26 174.71 3a15 s SER 3 N -2.28 6.42 0.55 -0.19 0.15 -1.26 -1.62 113.70 115.47 3a15 s SER 3 Ca 0.71 0.43 0.26 0.00 0.70 0.00 0.00 55.95 58.05 3a15 s SER 3 Cb -0.26 -2.03 1.60 0.00 -1.71 0.00 0.00 66.02 63.62 3a15 s SER 3 CO 0.46 0.20 2.18 0.00 1.20 0.00 0.00 173.24 177.28 3a15 h ALA 4 N 3.50 1.54 -2.48 5.45 0.00 -1.93 -3.42 119.26 121.92 3a15 h ALA 4 Ca -0.48 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 53.79 3a15 h ALA 4 Cb 1.18 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 3a15 h ALA 4 CO 0.71 0.06 0.21 0.42 0.00 0.00 0.00 179.25 180.64 3a15 s ILE 5 N -4.58 4.97 0.38 0.00 1.01 -1.26 -4.98 121.20 116.74 3a15 s ILE 5 Ca -0.04 1.25 -0.25 0.00 0.00 0.00 0.00 60.65 61.60 3a15 s ILE 5 Cb 0.15 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.53 3a15 s ILE 5 CO 0.58 0.04 0.98 0.61 0.00 0.00 0.00 174.94 177.15 3a15 n GLY 6 N 3.93 -0.31 0.31 6.18 0.00 -1.26 -4.78 105.19 109.26 3a15 n GLY 6 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 1.63 0.58 0.00 1.61 4.81 -1.94 -0.68 114.58 120.59 3a15 h GLU 7 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3a15 h GLU 7 Cb 1.34 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3a15 h GLU 7 CO 0.58 0.38 0.00 -2.39 -0.73 0.00 0.00 179.01 176.85 3a15 n HIS 8 N -4.89 0.49 0.81 0.92 1.44 -1.26 -2.30 115.22 110.43 3a15 n HIS 8 Ca 0.18 0.18 0.09 0.00 -2.01 0.00 0.00 57.72 56.16 3a15 n HIS 8 Cb 0.47 -0.79 -0.00 0.00 0.12 0.00 0.00 29.99 29.78 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 -1.93 1.78 -4.77 2.39 4.77 -0.28 -5.00 117.00 113.95 3a15 n LEU 9 Ca 0.03 -0.77 -0.38 0.00 -0.03 0.00 0.00 56.01 54.86 3a15 n LEU 9 Cb 0.24 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 3a15 n LEU 9 CO 0.19 0.34 0.78 -1.10 -1.33 0.00 0.00 177.39 176.27 3a15 s GLN 10 N -2.09 4.32 0.21 3.23 -0.21 -0.97 -4.95 119.66 119.19 3a15 s GLN 10 Ca 0.15 1.70 -0.12 0.00 0.02 0.00 0.00 55.36 57.11 3a15 s GLN 10 Cb 0.15 -2.83 0.00 0.00 1.00 0.00 0.00 33.01 31.33 3a15 s GLN 10 CO 0.46 -0.04 0.41 0.00 -2.12 0.00 0.00 175.29 174.00 3a15 s PRO 12 N -3.97 4.19 -0.06 0.00 0.04 -1.26 -4.92 135.00 129.02 3a15 s PRO 12 Ca 0.18 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.35 3a15 s PRO 12 Cb 0.01 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 3a15 s PRO 12 CO 0.03 -0.60 1.30 1.03 0.04 0.00 0.00 177.00 178.80 3a15 s ARG 13 N 0.64 4.30 0.09 4.56 0.52 -1.26 -4.88 118.95 122.91 3a15 s ARG 13 Ca 0.68 1.80 0.20 0.00 -0.52 0.00 0.00 55.73 57.88 3a15 s ARG 13 Cb -0.45 -3.63 -0.12 0.00 0.52 0.00 0.00 34.95 31.27 3a15 s ARG 13 CO 0.36 -0.56 0.81 0.25 0.02 0.00 0.00 175.30 176.18 3a15 n THR 14 N 4.83 0.83 -3.69 0.02 -2.24 -0.23 -4.68 114.28 109.12 3a15 n THR 14 Ca 0.13 -0.62 -0.39 0.00 -2.27 0.00 0.00 64.05 60.90 3a15 n THR 14 Cb 0.45 -0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 68.09 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 -5.43 4.70 0.54 3.22 1.43 -0.89 -5.01 118.68 117.23 3a15 s LEU 15 Ca -0.03 -1.31 -0.04 0.00 -1.03 0.00 0.00 54.13 51.72 3a15 s LEU 15 Cb 0.10 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 3a15 s LEU 15 CO 0.82 -0.42 0.83 0.42 0.23 0.00 0.00 176.35 178.23 3a15 s THR 16 N 1.41 3.99 0.80 5.49 -4.23 -1.26 -4.67 115.64 117.17 3a15 s THR 16 Ca 0.01 -0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.34 3a15 s THR 16 Cb -0.21 -3.54 0.07 0.00 1.34 0.00 0.00 72.50 70.16 3a15 s THR 16 CO 0.02 -0.52 1.10 -0.13 -0.54 0.00 0.00 174.62 174.56 3a15 s ARG 17 N -4.85 2.03 0.00 3.99 0.52 -1.26 -5.00 118.95 114.38 3a15 s ARG 17 Ca 0.51 0.59 0.18 0.00 -0.52 0.00 0.00 55.73 56.49 3a15 s ARG 17 Cb -0.10 -1.92 0.49 0.00 0.52 0.00 0.00 34.95 33.94 3a15 s ARG 17 CO 0.44 -1.65 1.41 2.89 0.02 0.00 0.00 175.30 178.41 3a15 n ARG 18 N -3.44 2.76 -4.50 3.54 1.85 -1.26 -4.95 116.66 110.66 3a15 n ARG 18 Ca 0.07 -2.39 -0.28 0.00 -1.00 0.00 0.00 57.85 54.25 3a15 n ARG 18 Cb 0.57 -1.44 -0.13 0.00 -1.05 0.00 0.00 32.46 30.40 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 -1.01 2.12 0.96 8.89 -7.23 -1.26 -5.14 120.40 117.72 3a15 s VAL 19 Ca 0.38 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.81 3a15 s VAL 19 Cb 0.20 -1.86 0.16 0.00 0.56 0.00 0.00 36.38 35.44 3a15 s VAL 19 CO 0.26 0.13 1.09 -2.16 -0.31 0.00 0.00 175.10 174.11 3a15 s PRO 20 N -1.81 0.77 0.44 4.82 0.04 -1.26 -4.91 135.00 133.10 3a15 s PRO 20 Ca 0.12 0.71 0.16 0.00 0.04 0.00 0.00 61.00 62.03 3a15 s PRO 20 Cb -0.10 -1.76 1.09 0.00 0.04 0.00 0.00 34.50 33.77 3a15 s PRO 20 CO 0.05 -2.55 1.96 -0.44 0.04 0.00 0.00 177.00 176.06 3a15 h ASP 21 N -1.77 0.32 0.54 6.66 5.19 -2.00 -1.40 116.42 123.96 3a15 h ASP 21 Ca -0.52 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 3a15 h ASP 21 Cb 1.31 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3a15 h ASP 21 CO 0.55 0.18 0.00 0.35 -3.12 0.00 0.00 179.24 177.21 3a15 n THR 22 N -4.46 0.28 -1.62 0.35 -2.24 -1.26 -1.90 114.28 103.43 3a15 n THR 22 Ca 0.11 0.07 -0.49 0.00 -2.27 0.00 0.00 64.05 61.47 3a15 n THR 22 Cb 0.45 -0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.34 1.78 -3.75 4.78 9.36 -0.53 -4.04 117.16 123.42 3a15 n TYR 23 Ca 0.10 0.51 -0.23 0.00 3.32 0.00 0.00 57.90 61.60 3a15 n TYR 23 Cb 0.21 -2.40 -0.18 0.00 -0.63 0.00 0.00 39.34 36.34 3a15 n TYR 23 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3a15 s THR 24 N 0.53 0.32 0.62 2.97 2.01 -1.26 -3.27 115.64 117.56 3a15 s THR 24 Ca 0.81 0.11 -0.17 0.00 0.31 0.00 0.00 61.69 62.74 3a15 s THR 24 Cb -0.84 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 3a15 s THR 24 CO 0.44 0.21 1.16 -2.16 -0.69 0.00 0.00 174.62 173.59 3a15 s PRO 25 N 1.99 2.91 0.06 4.92 0.04 -1.26 -4.95 135.00 138.71 3a15 s PRO 25 Ca 0.05 1.65 0.27 0.00 0.04 0.00 0.00 61.00 63.00 3a15 s PRO 25 Cb -0.13 -1.94 0.87 0.00 0.04 0.00 0.00 34.50 33.34 3a15 s PRO 25 CO -0.05 -1.22 1.71 -0.35 0.04 0.00 0.00 177.00 177.13 3a15 n PRO 26 N -1.89 0.10 -3.95 0.56 -0.04 -1.26 -4.85 135.00 123.67 3a15 n PRO 26 Ca 0.12 0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 3a15 n PRO 26 Cb 0.51 -1.59 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 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 -3.05 0.25 0.26 0.54 -0.12 -1.26 -4.96 117.98 109.65 3a15 s PHE 27 Ca 0.12 -0.60 -0.28 0.00 -0.05 0.00 0.00 56.93 56.13 3a15 s PHE 27 Cb 0.16 -0.18 -0.09 0.00 -0.63 0.00 0.00 43.02 42.29 3a15 s PHE 27 CO 0.61 -0.37 0.92 -1.25 -0.05 0.00 0.00 175.22 175.07 3a15 s PRO 28 N -2.83 4.70 0.04 1.99 0.04 -1.26 -5.03 135.00 132.65 3a15 s PRO 28 Ca -0.03 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3a15 s PRO 28 Cb 0.00 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 3a15 s PRO 28 CO -0.06 0.43 -0.04 -1.64 0.04 0.00 0.00 177.00 175.73 3a15 s MET 29 N -1.55 0.49 0.23 4.56 -1.94 -1.26 -4.81 119.30 115.03 3a15 s MET 29 Ca 0.44 -0.89 0.06 0.00 -1.71 0.00 0.00 55.69 53.59 3a15 s MET 29 Cb -0.22 0.03 -0.05 0.00 2.01 0.00 0.00 34.83 36.60 3a15 s MET 29 CO 0.28 -0.05 -0.07 -1.58 -0.01 0.00 0.00 175.02 173.59 3a15 s TRP 30 N -2.39 1.72 0.11 -0.03 0.51 -0.30 -1.93 118.94 116.63 3a15 s TRP 30 Ca -0.05 -0.73 0.03 0.00 -2.12 0.00 0.00 56.10 53.23 3a15 s TRP 30 Cb -0.03 -0.93 -0.04 0.00 -0.81 0.00 0.00 33.47 31.66 3a15 s TRP 30 CO -0.04 0.20 -0.09 0.14 -0.51 0.00 0.00 176.95 176.65 3a15 s VAL 31 N -3.13 0.93 0.35 4.03 -7.23 -1.26 0.08 120.40 114.16 3a15 s VAL 31 Ca 0.26 -1.83 -0.27 0.00 -1.81 0.00 0.00 61.98 58.33 3a15 s VAL 31 Cb 0.03 -1.57 -0.09 0.00 0.56 0.00 0.00 36.38 35.31 3a15 s VAL 31 CO 0.09 -0.69 1.18 -0.83 -0.31 0.00 0.00 175.10 174.54 3a15 s GLY 32 N -2.79 2.95 -0.04 2.32 0.00 -1.26 -0.48 107.32 108.01 3a15 s GLY 32 Ca 0.10 1.02 0.03 0.00 0.00 0.00 0.00 44.72 45.87 3a15 s GLY 32 CO -0.01 1.59 -0.13 0.50 0.00 0.00 0.00 173.10 175.05 3a15 s ARG 33 N -1.96 2.51 -0.13 2.90 1.81 0.18 -4.79 118.95 119.46 3a15 s ARG 33 Ca 0.52 -0.69 -0.14 0.00 -1.72 0.00 0.00 55.73 53.70 3a15 s ARG 33 Cb -0.33 -2.40 0.04 0.00 -0.45 0.00 0.00 34.95 31.81 3a15 s ARG 33 CO 0.43 0.62 0.38 0.00 -0.68 0.00 0.00 175.30 176.05 3a15 s ALA 34 N -0.76 -0.94 1.04 2.13 0.00 -1.26 -0.25 121.76 121.71 3a15 s ALA 34 Ca 0.12 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 53.01 3a15 s ALA 34 Cb -0.11 -0.55 0.10 0.00 0.00 0.00 0.00 23.12 22.57 3a15 s ALA 34 CO 0.01 -0.19 0.52 -0.40 0.00 0.00 0.00 175.76 175.70 3a15 n ASP 35 N 2.70 -0.47 0.00 0.00 5.68 -1.26 -4.87 116.55 118.33 3a15 n ASP 35 Ca -0.14 -1.05 0.04 0.00 -0.50 0.00 0.00 54.79 53.14 3a15 n ASP 35 Cb 0.57 -0.42 0.17 0.00 -1.14 0.00 0.00 41.12 40.30 3a15 n ASP 35 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3a15 n ASP 36 N -3.50 0.00 0.24 -1.12 -0.08 -1.26 -1.83 116.55 109.01 3a15 n ASP 36 Ca 0.07 0.46 0.12 0.00 -1.51 0.00 0.00 54.79 53.93 3a15 n ASP 36 Cb 0.24 -0.47 0.59 0.00 2.34 0.00 0.00 41.12 43.82 3a15 n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3a15 h ALA 37 N 2.28 1.09 -1.83 -1.67 0.00 -2.01 -3.37 119.26 113.76 3a15 h ALA 37 Ca 0.00 -0.14 -0.63 0.00 0.00 0.00 0.00 54.91 54.14 3a15 h ALA 37 Cb 0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.76 3a15 h ALA 37 CO 0.00 0.20 0.47 -1.17 0.00 0.00 0.00 179.25 178.75 3a15 s LEU 38 N -6.82 4.30 -0.26 0.00 0.20 -0.76 -4.85 118.68 110.50 3a15 s LEU 38 Ca -0.01 -0.57 0.01 0.00 0.69 0.00 0.00 54.13 54.26 3a15 s LEU 38 Cb 0.11 -2.68 -0.17 0.00 -0.43 0.00 0.00 46.19 43.02 3a15 s LEU 38 CO 0.60 -1.21 -0.23 0.00 -0.29 0.00 0.00 176.35 175.21 3a15 n GLN 39 N 7.29 0.64 -3.59 1.98 1.13 -1.26 -4.65 117.38 118.93 3a15 n GLN 39 Ca -0.01 0.15 -0.02 0.00 -1.94 0.00 0.00 57.00 55.19 3a15 n GLN 39 Cb 0.47 -1.51 -0.05 0.00 0.11 0.00 0.00 30.24 29.25 3a15 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3a15 s GLN 40 N -2.51 0.51 0.38 -1.09 0.74 -1.26 -0.89 119.66 115.54 3a15 s GLN 40 Ca -0.35 1.11 0.05 0.00 0.05 0.00 0.00 55.36 56.22 3a15 s GLN 40 Cb 0.09 0.48 -0.00 0.00 1.10 0.00 0.00 33.01 34.68 3a15 s GLN 40 CO 0.59 -0.15 0.54 0.14 -0.55 0.00 0.00 175.29 175.86 3a15 s VAL 41 N 2.25 3.79 -0.07 1.34 -7.23 -0.79 -3.48 120.40 116.21 3a15 s VAL 41 Ca -0.07 -0.88 0.04 0.00 -1.81 0.00 0.00 61.98 59.26 3a15 s VAL 41 Cb -0.08 -3.33 -0.00 0.00 0.56 0.00 0.00 36.38 33.53 3a15 s VAL 41 CO -0.18 -0.15 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.57 3a15 s VAL 42 N -2.31 1.65 -0.31 1.32 1.01 -0.30 -3.45 120.40 118.00 3a15 s VAL 42 Ca 0.48 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 3a15 s VAL 42 Cb -0.10 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 34.91 3a15 s VAL 42 CO 0.33 0.47 0.03 -0.04 0.00 0.00 0.00 175.10 175.89 3a15 s MET 43 N 0.21 2.46 -0.29 2.72 -1.94 0.31 -0.88 119.30 121.89 3a15 s MET 43 Ca -0.10 -1.27 -0.03 0.00 -1.71 0.00 0.00 55.69 52.59 3a15 s MET 43 Cb -0.15 -3.27 0.04 0.00 2.01 0.00 0.00 34.83 33.46 3a15 s MET 43 CO 0.05 -0.65 -0.00 0.20 -0.01 0.00 0.00 175.02 174.60 3a15 s GLY 44 N 1.32 1.73 -0.37 -0.03 0.00 0.25 -1.39 107.32 108.82 3a15 s GLY 44 Ca -0.04 -1.64 -0.15 0.00 0.00 0.00 0.00 44.72 42.89 3a15 s GLY 44 CO -0.00 0.64 0.31 -0.19 0.00 0.00 0.00 173.10 173.86 3a15 s TYR 45 N 1.31 3.22 -0.24 1.90 1.51 -0.48 -0.48 117.35 124.08 3a15 s TYR 45 Ca -0.03 -0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 3a15 s TYR 45 Cb -0.19 -2.61 0.01 0.00 -0.11 0.00 0.00 41.96 39.06 3a15 s TYR 45 CO -0.01 -0.49 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.40 3a15 s LEU 46 N 1.82 3.17 0.24 -1.29 1.02 0.56 -0.86 118.68 123.34 3a15 s LEU 46 Ca 0.08 -0.62 0.11 0.00 0.02 0.00 0.00 54.13 53.71 3a15 s LEU 46 Cb -0.18 -1.74 -0.05 0.00 0.02 0.00 0.00 46.19 44.25 3a15 s LEU 46 CO 0.11 -0.09 -0.17 -0.83 0.02 0.00 0.00 176.35 175.39 3a15 s GLY 47 N 1.43 1.78 -0.07 -3.19 0.00 0.36 -0.36 107.32 107.25 3a15 s GLY 47 Ca 0.03 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 43.05 3a15 s GLY 47 CO -0.03 -1.77 -0.09 0.14 0.00 0.00 0.00 173.10 171.36 3a15 s VAL 48 N -2.11 0.92 -0.05 1.40 1.01 0.74 -1.88 120.40 120.44 3a15 s VAL 48 Ca 0.27 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.99 3a15 s VAL 48 Cb -0.07 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 3a15 s VAL 48 CO 0.14 0.32 -0.22 -1.58 0.00 0.00 0.00 175.10 173.76 3a15 s GLN 49 N 1.05 2.47 0.09 2.72 0.74 0.89 -0.28 119.66 127.34 3a15 s GLN 49 Ca -0.08 -0.85 -0.07 0.00 0.05 0.00 0.00 55.36 54.41 3a15 s GLN 49 Cb -0.14 -2.21 -0.01 0.00 1.10 0.00 0.00 33.01 31.75 3a15 s GLN 49 CO -0.01 0.48 0.16 -0.59 -0.55 0.00 0.00 175.29 174.77 3a15 s PHE 50 N -0.38 0.23 -0.21 1.67 -0.71 -0.00 -0.56 117.98 118.01 3a15 s PHE 50 Ca 0.03 -0.68 -0.04 0.00 -1.04 0.00 0.00 56.93 55.21 3a15 s PHE 50 Cb -0.12 -0.12 -0.12 0.00 -1.21 0.00 0.00 43.02 41.45 3a15 s PHE 50 CO 0.02 -0.52 -0.22 -2.13 -1.34 0.00 0.00 175.22 171.02 3a15 n ARG 51 N -0.04 0.49 -4.14 1.99 3.00 -1.26 0.04 116.66 116.74 3a15 n ARG 51 Ca -0.14 0.15 -0.31 0.00 -0.00 0.00 0.00 57.85 57.55 3a15 n ARG 51 Cb 0.62 -1.35 -0.08 0.00 0.00 0.00 0.00 32.46 31.65 3a15 n ARG 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3a15 s ASP 52 N -6.37 5.16 0.31 6.15 1.01 -1.26 -4.73 116.67 116.93 3a15 s ASP 52 Ca -0.29 -0.11 0.07 0.00 0.71 0.00 0.00 52.55 52.94 3a15 s ASP 52 Cb 0.09 -1.29 0.84 0.00 1.01 0.00 0.00 42.92 43.57 3a15 s ASP 52 CO 0.43 0.19 1.70 -0.08 0.21 0.00 0.00 175.17 177.63 3a15 h GLU 53 N 3.57 0.43 0.00 8.23 4.57 -2.01 -0.08 114.58 129.29 3a15 h GLU 53 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3a15 h GLU 53 Cb 1.17 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3a15 h GLU 53 CO 0.61 0.28 0.00 -0.40 -1.18 0.00 0.00 179.01 178.32 3a15 n ASP 54 N -5.00 0.00 0.01 1.04 5.68 -1.26 -1.78 116.55 115.24 3a15 n ASP 54 Ca 0.25 0.04 0.11 0.00 -0.50 0.00 0.00 54.79 54.70 3a15 n ASP 54 Cb 0.74 -0.28 0.09 0.00 -1.14 0.00 0.00 41.12 40.53 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 -1.28 0.09 -0.15 0.11 6.02 -0.04 -4.52 117.38 117.60 3a15 n GLN 55 Ca 0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.03 3a15 n GLN 55 Cb 0.12 -1.53 0.05 0.00 1.02 0.00 0.00 30.24 29.90 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 0.38 -0.31 -1.09 2.43 -1.42 -0.07 114.38 114.30 3a15 h ARG 56 Ca 0.00 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3a15 h ARG 56 Cb 0.57 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 3a15 h ARG 56 CO 0.00 0.25 0.10 -1.35 -1.51 0.00 0.00 179.97 177.47 3a15 h PRO 57 N 0.39 0.23 -0.78 0.20 0.11 -1.80 0.12 132.00 130.46 3a15 h PRO 57 Ca 0.22 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 3a15 h PRO 57 Cb 0.18 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 3a15 h PRO 57 CO -0.19 0.15 0.37 0.00 -0.21 0.00 0.00 178.00 178.12 3a15 h ALA 58 N 1.19 1.18 -0.31 -0.75 0.00 -1.73 -1.35 119.26 117.50 3a15 h ALA 58 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3a15 h ALA 58 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3a15 h ALA 58 CO -0.14 0.62 0.14 0.00 0.00 0.00 0.00 179.25 179.87 3a15 h ALA 59 N 1.29 0.40 -0.72 0.00 0.00 -0.58 -0.99 119.26 118.66 3a15 h ALA 59 Ca 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3a15 h ALA 59 Cb 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3a15 h ALA 59 CO -0.03 -0.02 0.29 -0.07 0.00 0.00 0.00 179.25 179.42 3a15 h LEU 60 N 0.36 0.99 -0.56 0.00 3.38 -0.78 -0.69 115.31 118.02 3a15 h LEU 60 Ca 0.11 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3a15 h LEU 60 Cb 0.14 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3a15 h LEU 60 CO -0.01 0.89 0.30 1.56 0.09 0.00 0.00 178.44 181.27 3a15 h GLN 61 N 1.03 0.57 -0.58 1.13 4.20 -1.08 0.14 115.11 120.51 3a15 h GLN 61 Ca 0.24 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 3a15 h GLN 61 Cb 0.20 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3a15 h GLN 61 CO -0.02 0.38 0.16 0.00 -0.67 0.00 0.00 178.83 178.67 3a15 h ALA 62 N 1.28 0.77 -0.65 3.87 0.00 -0.75 -1.00 119.26 122.78 3a15 h ALA 62 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a15 h ALA 62 Cb 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3a15 h ALA 62 CO -0.15 0.46 0.38 1.98 0.00 0.00 0.00 179.25 181.92 3a15 h MET 63 N 0.83 0.89 -0.55 0.00 1.85 -0.80 -1.41 114.93 115.74 3a15 h MET 63 Ca 0.18 -0.09 -0.06 0.00 -0.61 0.00 0.00 59.70 59.13 3a15 h MET 63 Cb 0.32 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 32.15 3a15 h MET 63 CO -0.00 0.64 0.11 0.00 -0.40 0.00 0.00 176.91 177.26 3a15 h ARG 64 N 0.88 0.86 -0.79 0.39 3.08 -0.64 -1.55 114.38 116.61 3a15 h ARG 64 Ca 0.23 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3a15 h ARG 64 Cb -0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3a15 h ARG 64 CO -0.04 0.79 0.30 -0.44 -1.07 0.00 0.00 179.97 179.51 3a15 h ASP 65 N 0.82 1.10 -0.04 7.04 3.32 -0.82 -0.27 116.42 127.57 3a15 h ASP 65 Ca 0.18 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a15 h ASP 65 Cb 0.33 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3a15 h ASP 65 CO 0.00 0.98 0.02 0.40 -1.72 0.00 0.00 179.24 178.93 3a15 h ILE 66 N 1.16 1.04 -0.70 0.35 2.04 -0.79 -1.96 117.51 118.66 3a15 h ILE 66 Ca 0.26 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 66.01 3a15 h ILE 66 Cb 0.23 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3a15 h ILE 66 CO -0.02 0.04 0.46 0.58 0.00 0.00 0.00 178.15 179.21 3a15 h VAL 67 N 0.01 1.17 -0.83 1.67 2.07 -1.11 -1.91 116.25 117.33 3a15 h VAL 67 Ca 0.01 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.28 3a15 h VAL 67 Cb 0.04 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 3a15 h VAL 67 CO -0.00 0.17 0.54 0.00 0.02 0.00 0.00 177.57 178.30 3a15 h ALA 68 N 1.26 1.59 0.00 1.67 0.00 -0.90 -0.48 119.26 122.40 3a15 h ALA 68 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3a15 h ALA 68 Cb -0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3a15 h ALA 68 CO -0.06 0.28 -0.02 0.78 0.00 0.00 0.00 179.25 180.23 3a15 h GLY 69 N 0.92 0.00 2.00 0.00 0.00 -0.55 -2.35 103.07 103.09 3a15 h GLY 69 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3a15 h GLY 69 CO -0.13 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.15 3a15 h PHE 70 N 0.00 0.00 0.00 5.60 0.04 -0.92 -2.98 116.94 118.68 3a15 h PHE 70 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3a15 h PHE 70 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 3a15 h PHE 70 CO 0.00 0.00 0.00 -0.25 -0.60 0.00 0.00 178.31 177.46 3a15 n ASP 71 N -2.94 0.19 -4.84 2.17 8.00 -0.88 -4.22 116.55 114.03 3a15 n ASP 71 Ca 0.01 0.52 -0.30 0.00 0.71 0.00 0.00 54.79 55.73 3a15 n ASP 71 Cb 0.32 -0.57 0.06 0.00 -0.02 0.00 0.00 41.12 40.90 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 -3.37 2.91 0.32 0.64 1.43 -1.13 -4.91 118.68 114.57 3a15 s LEU 72 Ca 0.12 1.37 -0.27 0.00 -1.03 0.00 0.00 54.13 54.32 3a15 s LEU 72 Cb 0.16 -4.17 -0.13 0.00 0.03 0.00 0.00 46.19 42.08 3a15 s LEU 72 CO 0.51 -1.51 1.01 -2.65 0.23 0.00 0.00 176.35 173.93 3a15 n PRO 73 N -3.15 1.37 -1.02 1.29 -0.02 -1.26 -1.59 135.00 130.62 3a15 n PRO 73 Ca 0.07 0.48 -0.01 0.00 -2.02 0.00 0.00 63.50 62.03 3a15 n PRO 73 Cb 0.55 -1.89 -0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 1.08 -4.60 -4.56 2.55 8.00 -1.26 -4.67 116.55 113.09 3a15 n ASP 74 Ca 0.09 0.01 -0.29 0.00 0.71 0.00 0.00 54.79 55.32 3a15 n ASP 74 Cb 0.34 -2.15 0.22 0.00 -0.02 0.00 0.00 41.12 39.51 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 -2.05 1.57 0.55 0.44 0.00 -0.62 -4.46 107.32 102.75 3a15 s GLY 75 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.45 3a15 s GLY 75 CO 0.00 0.57 1.13 2.56 0.00 0.00 0.00 173.10 177.36 3a15 s PRO 76 N -4.61 3.35 0.38 2.90 0.04 -1.26 -4.94 135.00 130.85 3a15 s PRO 76 Ca 0.67 1.60 0.26 0.00 0.04 0.00 0.00 61.00 63.57 3a15 s PRO 76 Cb -0.23 -2.01 0.78 0.00 0.04 0.00 0.00 34.50 33.08 3a15 s PRO 76 CO 0.62 -0.85 1.75 0.00 0.04 0.00 0.00 177.00 178.56 3a15 h ALA 77 N 1.16 1.00 -2.38 8.56 0.00 -1.40 -3.46 119.26 122.74 3a15 h ALA 77 Ca -0.50 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 3a15 h ALA 77 Cb 1.26 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 3a15 h ALA 77 CO 0.57 0.00 -0.14 -1.58 0.00 0.00 0.00 179.25 178.10 3a15 s HIS 78 N -3.29 -0.31 0.16 0.00 5.65 -1.21 -4.98 115.29 111.31 3a15 s HIS 78 Ca 0.06 0.48 -0.15 0.00 0.25 0.00 0.00 55.06 55.71 3a15 s HIS 78 Cb 0.08 0.19 0.02 0.00 -1.18 0.00 0.00 32.58 31.69 3a15 s HIS 78 CO 0.58 -0.46 0.42 -3.38 -0.65 0.00 0.00 174.74 171.25 3a15 s HIS 79 N -1.39 -0.02 0.15 3.88 -0.00 -1.26 -1.26 115.29 115.40 3a15 s HIS 79 Ca -0.12 -0.33 -0.10 0.00 -0.00 0.00 0.00 55.06 54.50 3a15 s HIS 79 Cb -0.04 0.23 -0.00 0.00 -0.00 0.00 0.00 32.58 32.78 3a15 s HIS 79 CO 0.05 -0.79 0.31 0.16 -0.00 0.00 0.00 174.74 174.46 3a15 s ASP 80 N -2.87 0.00 -0.04 7.38 1.47 -0.81 -4.99 116.67 116.81 3a15 s ASP 80 Ca 0.09 -0.76 0.06 0.00 1.18 0.00 0.00 52.55 53.12 3a15 s ASP 80 Cb 0.01 0.44 -0.01 0.00 -0.34 0.00 0.00 42.92 43.02 3a15 s ASP 80 CO -0.05 -0.89 -0.24 -0.76 0.68 0.00 0.00 175.17 173.91 3a15 s LEU 81 N -2.93 2.04 0.12 2.11 1.43 -1.26 -1.29 118.68 118.90 3a15 s LEU 81 Ca 0.14 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3a15 s LEU 81 Cb 0.03 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 3a15 s LEU 81 CO -0.03 0.26 0.04 0.42 0.23 0.00 0.00 176.35 177.27 3a15 s THR 82 N -0.31 0.12 0.02 5.49 -4.23 -0.05 -0.97 115.64 115.72 3a15 s THR 82 Ca 0.02 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 3a15 s THR 82 Cb -0.12 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.73 3a15 s THR 82 CO 0.02 -0.54 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.19 3a15 s HIS 83 N -4.03 0.79 0.14 3.99 5.04 -0.07 -0.76 115.29 120.39 3a15 s HIS 83 Ca 0.22 -0.28 -0.19 0.00 -1.54 0.00 0.00 55.06 53.27 3a15 s HIS 83 Cb 0.08 -0.48 0.05 0.00 0.04 0.00 0.00 32.58 32.26 3a15 s HIS 83 CO 0.00 -0.02 0.48 -3.38 -2.34 0.00 0.00 174.74 169.49 3a15 s HIS 84 N -0.67 -0.34 -0.19 3.88 -3.43 -0.67 -1.52 115.29 112.35 3a15 s HIS 84 Ca -0.01 0.07 -0.06 0.00 -0.80 0.00 0.00 55.06 54.26 3a15 s HIS 84 Cb -0.06 0.38 -0.03 0.00 -1.43 0.00 0.00 32.58 31.44 3a15 s HIS 84 CO 0.00 -0.77 0.02 0.42 -2.00 0.00 0.00 174.74 172.42 3a15 s ILE 85 N -3.78 4.30 0.90 -5.38 1.01 -1.26 -0.64 121.20 116.35 3a15 s ILE 85 Ca 0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 3a15 s ILE 85 Cb 0.01 -2.94 0.20 0.00 0.01 0.00 0.00 42.46 39.73 3a15 s ILE 85 CO -0.12 0.44 1.23 1.51 0.00 0.00 0.00 174.94 178.00 3a15 s ASP 86 N 0.71 3.34 0.00 3.58 1.47 -0.12 -4.90 116.67 120.74 3a15 s ASP 86 Ca 0.01 -0.11 0.26 0.00 1.18 0.00 0.00 52.55 53.90 3a15 s ASP 86 Cb -0.14 0.04 1.45 0.00 -0.34 0.00 0.00 42.92 43.93 3a15 s ASP 86 CO 0.02 -2.56 1.91 -0.46 0.68 0.00 0.00 175.17 174.76 3a15 n ASN 87 N -3.49 0.00 -1.10 2.11 0.23 -1.26 -1.35 115.26 110.40 3a15 n ASN 87 Ca 0.17 -0.46 0.12 0.00 -0.53 0.00 0.00 54.58 53.88 3a15 n ASN 87 Cb 0.60 -0.14 0.22 0.00 -2.08 0.00 0.00 39.78 38.37 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 -1.14 2.44 -0.91 -3.83 1.13 -1.26 -4.97 117.38 108.84 3a15 n GLN 88 Ca 0.16 -2.17 0.00 0.00 -1.94 0.00 0.00 57.00 53.05 3a15 n GLN 88 Cb 0.15 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.99 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 1.47 0.61 3.78 1.08 0.00 -0.46 -5.04 105.19 106.63 3a15 n GLY 89 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.29 3.80 0.16 1.61 1.51 -1.26 -4.78 117.35 116.09 3a15 s TYR 90 Ca 0.00 1.67 -0.19 0.00 -1.01 0.00 0.00 57.07 57.54 3a15 s TYR 90 Cb 0.00 -2.82 -0.07 0.00 -0.11 0.00 0.00 41.96 38.96 3a15 s TYR 90 CO 0.00 0.37 0.64 -1.21 -1.11 0.00 0.00 175.55 174.24 3a15 s GLU 91 N -1.63 4.20 -0.08 -0.62 2.02 0.11 -0.94 118.70 121.76 3a15 s GLU 91 Ca 0.43 0.77 -0.01 0.00 0.02 0.00 0.00 54.97 56.17 3a15 s GLU 91 Cb -0.21 -3.03 0.03 0.00 0.10 0.00 0.00 34.13 31.02 3a15 s GLU 91 CO 0.25 0.50 -0.00 -0.80 0.02 0.00 0.00 175.26 175.23 3a15 s ASN 92 N -1.47 1.71 -0.20 -0.19 0.01 0.18 -0.82 114.94 114.15 3a15 s ASN 92 Ca 0.37 -0.14 -0.12 0.00 -0.71 0.00 0.00 52.86 52.26 3a15 s ASN 92 Cb -0.18 -0.48 -0.05 0.00 0.41 0.00 0.00 41.25 40.95 3a15 s ASN 92 CO 0.21 -0.19 0.22 -0.76 -1.51 0.00 0.00 177.10 175.06 3a15 s LEU 93 N 1.94 4.18 -0.11 0.60 1.43 0.62 -1.67 118.68 125.67 3a15 s LEU 93 Ca 0.05 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3a15 s LEU 93 Cb -0.13 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.88 3a15 s LEU 93 CO -0.06 0.08 -0.13 -0.63 0.23 0.00 0.00 176.35 175.84 3a15 s ILE 94 N 0.77 1.37 -0.31 -0.59 1.01 0.06 -0.18 121.20 123.33 3a15 s ILE 94 Ca 0.12 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 3a15 s ILE 94 Cb -0.13 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 3a15 s ILE 94 CO 0.03 0.42 0.28 -0.69 0.00 0.00 0.00 174.94 174.98 3a15 s VAL 95 N 1.14 5.25 -0.21 2.92 1.01 0.51 -0.87 120.40 130.15 3a15 s VAL 95 Ca -0.04 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 3a15 s VAL 95 Cb -0.14 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3a15 s VAL 95 CO -0.03 0.07 0.11 0.54 0.00 0.00 0.00 175.10 175.78 3a15 s VAL 96 N 1.86 5.11 0.08 2.92 0.11 -0.41 -0.32 120.40 129.74 3a15 s VAL 96 Ca 0.09 0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.30 3a15 s VAL 96 Cb -0.17 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 3a15 s VAL 96 CO 0.11 0.41 -0.16 -0.83 -3.33 0.00 0.00 175.10 171.30 3a15 s GLY 97 N 0.67 1.66 -0.12 6.54 0.00 0.36 -1.92 107.32 114.52 3a15 s GLY 97 Ca 0.06 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.55 3a15 s GLY 97 CO 0.01 -1.18 -0.16 -0.19 0.00 0.00 0.00 173.10 171.58 3a15 s TYR 98 N -1.05 2.08 -0.03 1.90 2.02 -0.39 -0.59 117.35 121.30 3a15 s TYR 98 Ca 0.17 -1.02 0.03 0.00 -0.37 0.00 0.00 57.07 55.88 3a15 s TYR 98 Cb -0.11 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 3a15 s TYR 98 CO 0.08 -0.52 -0.09 -1.58 -1.57 0.00 0.00 175.55 171.88 3a15 s TRP 99 N 1.04 2.86 -1.49 2.71 0.51 -0.06 -0.91 118.94 123.60 3a15 s TRP 99 Ca -0.05 -0.05 0.28 0.00 -2.12 0.00 0.00 56.10 54.17 3a15 s TRP 99 Cb -0.15 -1.64 1.16 0.00 -0.81 0.00 0.00 33.47 32.03 3a15 s TRP 99 CO -0.03 0.32 1.83 1.17 -0.51 0.00 0.00 176.95 179.73 3a15 n LYS 100 N 1.91 0.52 -3.72 4.98 4.81 -1.26 -1.15 118.16 124.25 3a15 n LYS 100 Ca -0.17 -0.17 -0.12 0.00 -0.87 0.00 0.00 58.31 56.99 3a15 n LYS 100 Cb 0.53 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 33.97 3a15 n LYS 100 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3a15 s ASP 101 N -2.60 -0.41 0.13 3.14 2.15 -1.25 -4.53 116.67 113.31 3a15 s ASP 101 Ca 0.25 0.75 -0.16 0.00 0.43 0.00 0.00 52.55 53.83 3a15 s ASP 101 Cb 0.20 0.68 -0.00 0.00 -0.30 0.00 0.00 42.92 43.50 3a15 s ASP 101 CO 0.51 -0.16 1.68 0.58 -0.17 0.00 0.00 175.17 177.60 3a15 h VAL 102 N 5.23 1.20 -0.17 1.11 2.07 -1.87 -2.75 116.25 121.07 3a15 h VAL 102 Ca -0.34 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 3a15 h VAL 102 Cb 1.18 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3a15 h VAL 102 CO 0.31 0.23 -0.12 0.28 0.02 0.00 0.00 177.57 178.28 3a15 h SER 103 N 0.52 0.25 -0.02 0.57 0.02 -1.97 -1.19 113.55 111.72 3a15 h SER 103 Ca 0.14 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3a15 h SER 103 Cb 0.20 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3a15 h SER 103 CO -0.01 0.40 0.01 -1.28 -1.14 0.00 0.00 176.83 174.81 3a15 h SER 104 N 0.25 0.02 -0.92 3.07 0.87 -1.89 -0.96 113.55 114.00 3a15 h SER 104 Ca 0.05 -0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3a15 h SER 104 Cb 0.38 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 3a15 h SER 104 CO 0.02 0.19 0.60 -0.61 -0.53 0.00 0.00 176.83 176.50 3a15 h GLN 105 N -0.15 1.14 -0.25 2.24 -0.00 -1.16 -1.12 115.11 115.81 3a15 h GLN 105 Ca 0.01 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 3a15 h GLN 105 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 27.48 27.39 3a15 h GLN 105 CO -0.00 0.76 0.16 0.45 0.00 0.00 0.00 178.83 180.20 3a15 h HIS 106 N 1.18 0.33 -0.72 3.99 3.86 -1.02 -0.44 115.15 122.31 3a15 h HIS 106 Ca 0.36 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.58 3a15 h HIS 106 Cb -0.03 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 3a15 h HIS 106 CO -0.01 0.23 0.48 0.00 0.86 0.00 0.00 177.93 179.48 3a15 h ARG 107 N 0.33 0.94 -0.03 2.45 3.08 -0.88 -1.25 114.38 119.02 3a15 h ARG 107 Ca 0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3a15 h ARG 107 Cb -0.01 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3a15 h ARG 107 CO -0.02 0.62 0.02 2.35 -1.07 0.00 0.00 179.97 181.87 3a15 h TRP 108 N 0.97 0.04 -0.26 3.04 7.01 -0.92 -0.69 115.95 125.14 3a15 h TRP 108 Ca 0.27 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.23 3a15 h TRP 108 Cb -0.09 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 3a15 h TRP 108 CO -0.03 0.06 0.01 0.66 -2.79 0.00 0.00 178.44 176.35 3a15 h SER 109 N 0.02 0.35 0.72 2.65 4.64 -0.83 -2.40 113.55 118.69 3a15 h SER 109 Ca 0.01 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3a15 h SER 109 Cb 0.03 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3a15 h SER 109 CO -0.00 0.41 -0.53 0.35 -0.87 0.00 0.00 176.83 176.19 3a15 n THR 110 N -4.34 0.18 -1.91 2.95 -2.24 -0.49 -3.43 114.28 105.00 3a15 n THR 110 Ca 0.01 -0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 3a15 n THR 110 Cb 0.20 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 -3.62 6.21 0.21 3.42 1.04 -0.28 -4.66 113.70 116.02 3a15 s SER 111 Ca 0.09 2.85 -0.11 0.00 0.48 0.00 0.00 55.95 59.26 3a15 s SER 111 Cb 0.16 -2.65 0.27 0.00 0.10 0.00 0.00 66.02 63.90 3a15 s SER 111 CO 0.70 -0.94 1.68 0.74 0.98 0.00 0.00 173.24 176.40 3a15 h THR 112 N 2.59 0.56 -0.64 2.02 2.02 -1.90 -0.12 112.91 117.44 3a15 h THR 112 Ca -0.50 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 66.64 3a15 h THR 112 Cb 1.25 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3a15 h THR 112 CO 0.63 0.03 0.43 -0.65 0.37 0.00 0.00 175.52 176.32 3a15 h PRO 113 N 0.16 0.79 0.00 6.66 0.11 -1.93 -0.53 132.00 137.27 3a15 h PRO 113 Ca 0.30 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.34 3a15 h PRO 113 Cb 0.48 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 3a15 h PRO 113 CO -0.46 0.53 -0.18 0.82 -0.21 0.00 0.00 178.00 178.49 3a15 h ILE 114 N 0.82 1.19 -0.86 4.15 1.08 -1.53 -3.16 117.51 119.20 3a15 h ILE 114 Ca 0.25 -1.95 -0.03 0.00 -0.39 0.00 0.00 64.86 62.73 3a15 h ILE 114 Cb -0.01 2.31 -0.04 0.00 -3.07 0.00 0.00 36.82 36.01 3a15 h ILE 114 CO -0.06 0.40 0.42 0.00 -0.69 0.00 0.00 178.15 178.22 3a15 h ALA 115 N -0.34 1.10 -0.55 1.87 0.00 -1.07 -1.72 119.26 118.56 3a15 h ALA 115 Ca -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3a15 h ALA 115 Cb 0.78 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3a15 h ALA 115 CO -0.03 0.66 0.23 0.66 0.00 0.00 0.00 179.25 180.77 3a15 h SER 116 N 1.21 0.71 -0.06 0.00 4.64 -1.22 -0.64 113.55 118.19 3a15 h SER 116 Ca 0.30 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 3a15 h SER 116 Cb 0.10 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3a15 h SER 116 CO -0.04 0.63 -0.02 -0.25 -0.87 0.00 0.00 176.83 176.28 3a15 h TRP 117 N 0.78 0.13 -0.53 4.77 7.01 -1.42 -2.03 115.95 124.65 3a15 h TRP 117 Ca 0.19 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.11 3a15 h TRP 117 Cb 0.14 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 3a15 h TRP 117 CO 0.01 0.47 0.14 2.35 -2.79 0.00 0.00 178.44 178.62 3a15 h TRP 118 N -0.25 0.83 -0.00 2.65 -0.00 -1.03 -2.81 115.95 115.33 3a15 h TRP 118 Ca 0.01 -0.07 0.00 0.00 -0.00 0.00 0.00 58.89 58.83 3a15 h TRP 118 Cb 0.43 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 29.35 3a15 h TRP 118 CO 0.06 0.69 -0.38 0.39 -0.00 0.00 0.00 178.44 179.20 3a15 n GLU 119 N -4.29 0.33 -2.06 2.65 1.02 -0.27 -4.94 120.64 113.08 3a15 n GLU 119 Ca 0.04 -0.18 -0.37 0.00 -0.02 0.00 0.00 57.16 56.62 3a15 n GLU 119 Cb 0.21 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.80 5.73 0.61 1.62 0.15 -0.77 -4.90 113.70 113.35 3a15 s SER 120 Ca 0.17 2.48 0.39 0.00 0.70 0.00 0.00 55.95 59.68 3a15 s SER 120 Cb 0.18 -2.61 1.89 0.00 -1.71 0.00 0.00 66.02 63.77 3a15 s SER 120 CO 0.62 -1.23 2.18 -0.33 1.20 0.00 0.00 173.24 175.68 3a15 h GLU 121 N 1.70 0.00 -0.58 5.44 4.39 -1.90 -2.28 114.58 121.35 3a15 h GLU 121 Ca -0.50 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.31 3a15 h GLU 121 Cb 1.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 3a15 h GLU 121 CO 0.59 0.01 0.40 -0.44 -1.16 0.00 0.00 179.01 178.40 3a15 h ASP 122 N 0.00 0.28 0.27 1.42 3.32 -1.92 -0.88 116.42 118.91 3a15 h ASP 122 Ca -0.00 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3a15 h ASP 122 Cb 0.25 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3a15 h ASP 122 CO 0.00 0.16 -0.21 0.03 -1.72 0.00 0.00 179.24 177.51 3a15 h ARG 123 N 0.31 0.00 0.09 3.56 2.47 -1.69 -0.30 114.38 118.82 3a15 h ARG 123 Ca 0.27 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.70 3a15 h ARG 123 Cb 0.66 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 3a15 h ARG 123 CO -0.06 0.21 -1.53 -0.07 0.56 0.00 0.00 179.97 179.08 3a15 h LEU 124 N 0.00 0.31 -0.06 3.04 3.38 -1.35 -3.33 115.31 117.30 3a15 h LEU 124 Ca -0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3a15 h LEU 124 Cb 0.40 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3a15 h LEU 124 CO 0.03 1.37 0.00 0.77 0.09 0.00 0.00 178.44 180.70 3a15 h SER 125 N 0.05 0.00 -0.36 -0.43 4.64 -1.22 -3.28 113.55 112.95 3a15 h SER 125 Ca -0.23 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.15 3a15 h SER 125 Cb 1.99 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.06 3a15 h SER 125 CO 0.15 0.00 0.25 0.44 -0.87 0.00 0.00 176.83 176.79 3a15 h ASP 126 N 0.00 0.18 0.00 4.97 3.32 -1.16 -3.46 116.42 120.27 3a15 h ASP 126 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a15 h ASP 126 Cb 0.97 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3a15 h ASP 126 CO 0.00 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 3a15 n GLY 127 N -1.55 0.91 3.94 2.75 0.00 -1.24 -5.03 105.19 104.98 3a15 n GLY 127 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 4.19 0.22 0.99 1.43 -1.26 -4.95 118.68 119.30 3a15 s LEU 128 Ca 0.00 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.35 3a15 s LEU 128 Cb 0.00 -3.16 -0.07 0.00 0.03 0.00 0.00 46.19 42.99 3a15 s LEU 128 CO 0.00 -0.11 0.57 -0.83 0.23 0.00 0.00 176.35 176.22 3a15 s GLY 129 N -3.50 2.34 0.07 -3.19 0.00 0.27 -4.74 107.32 98.58 3a15 s GLY 129 Ca 0.38 -0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.95 3a15 s GLY 129 CO 0.31 -0.00 -0.10 -1.36 0.00 0.00 0.00 173.10 171.94 3a15 s PHE 130 N -1.74 0.96 0.07 1.90 0.08 -0.09 -0.07 117.98 119.09 3a15 s PHE 130 Ca 0.46 -0.55 -0.15 0.00 0.12 0.00 0.00 56.93 56.81 3a15 s PHE 130 Cb -0.12 -0.55 0.02 0.00 -0.57 0.00 0.00 43.02 41.81 3a15 s PHE 130 CO 0.20 -0.02 0.34 -0.59 -0.10 0.00 0.00 175.22 175.05 3a15 s PHE 131 N -1.76 -0.13 -0.14 0.36 -0.12 -0.79 -0.08 117.98 115.33 3a15 s PHE 131 Ca -0.02 -0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 56.77 3a15 s PHE 131 Cb -0.07 0.14 0.04 0.00 -0.63 0.00 0.00 43.02 42.50 3a15 s PHE 131 CO 0.01 -0.57 -0.01 1.03 -0.05 0.00 0.00 175.22 175.62 3a15 s ARG 132 N -3.03 0.95 -0.38 1.99 0.52 -0.11 -0.49 118.95 118.40 3a15 s ARG 132 Ca -0.02 -0.28 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 3a15 s ARG 132 Cb 0.01 -1.70 0.11 0.00 0.52 0.00 0.00 34.95 33.88 3a15 s ARG 132 CO -0.06 -0.45 0.13 -1.21 0.02 0.00 0.00 175.30 173.73 3a15 s GLU 133 N 1.81 1.72 -0.19 3.54 2.02 -0.04 -0.38 118.70 127.19 3a15 s GLU 133 Ca 0.02 -1.92 0.01 0.00 0.02 0.00 0.00 54.97 53.09 3a15 s GLU 133 Cb -0.15 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.74 3a15 s GLU 133 CO -0.07 -1.00 -0.18 0.42 0.02 0.00 0.00 175.26 174.45 3a15 s ILE 134 N 0.89 2.17 0.04 -1.63 1.01 -0.12 -1.38 121.20 122.18 3a15 s ILE 134 Ca 0.11 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.84 3a15 s ILE 134 Cb -0.21 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 3a15 s ILE 134 CO -0.06 0.49 -0.12 0.68 0.00 0.00 0.00 174.94 175.92 3a15 s VAL 135 N 1.29 0.95 -0.45 2.92 -7.23 -0.48 -0.97 120.40 116.42 3a15 s VAL 135 Ca 0.04 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.26 3a15 s VAL 135 Cb -0.14 -0.89 0.16 0.00 0.56 0.00 0.00 36.38 36.07 3a15 s VAL 135 CO -0.12 -0.08 0.33 0.00 -0.31 0.00 0.00 175.10 174.93 3a15 s ALA 136 N -0.92 1.81 0.28 1.32 0.00 0.01 -0.53 121.76 123.72 3a15 s ALA 136 Ca -0.01 -2.61 -0.29 0.00 0.00 0.00 0.00 51.96 49.06 3a15 s ALA 136 Cb -0.08 -1.72 -0.09 0.00 0.00 0.00 0.00 23.12 21.22 3a15 s ALA 136 CO 0.01 -2.02 1.02 -1.25 0.00 0.00 0.00 175.76 173.52 3a15 s PRO 137 N 0.00 4.69 0.92 0.00 0.04 -1.22 -4.80 135.00 134.63 3a15 s PRO 137 Ca 0.27 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 3a15 s PRO 137 Cb -0.05 -3.15 0.15 0.00 0.04 0.00 0.00 34.50 31.49 3a15 s PRO 137 CO -0.14 0.32 1.09 1.03 0.04 0.00 0.00 177.00 179.34 3a15 s ARG 138 N -1.46 1.02 0.41 4.56 0.52 -1.26 -1.89 118.95 120.85 3a15 s ARG 138 Ca 0.44 0.96 0.16 0.00 -0.52 0.00 0.00 55.73 56.77 3a15 s ARG 138 Cb -0.28 -1.77 1.04 0.00 0.52 0.00 0.00 34.95 34.46 3a15 s ARG 138 CO 0.35 -2.44 1.87 0.00 0.02 0.00 0.00 175.30 175.10 3a15 h ALA 139 N -1.70 2.13 0.00 2.13 0.00 -1.28 0.46 119.26 121.00 3a15 h ALA 139 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3a15 h ALA 139 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3a15 h ALA 139 CO 0.52 -0.39 0.00 -0.85 0.00 0.00 0.00 179.25 178.52 3a15 n GLU 140 N -4.51 0.15 -0.32 0.00 0.28 -1.26 -3.79 120.64 111.18 3a15 n GLU 140 Ca 0.18 0.05 0.07 0.00 -0.16 0.00 0.00 57.16 57.30 3a15 n GLU 140 Cb 0.63 -1.50 0.22 0.00 1.43 0.00 0.00 31.44 32.22 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 -1.42 3.01 -3.91 3.44 6.02 0.15 -0.85 117.38 123.82 3a15 n GLN 141 Ca 0.09 -2.41 -0.09 0.00 -0.01 0.00 0.00 57.00 54.58 3a15 n GLN 141 Cb 0.27 -1.52 -0.08 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.57 0.21 0.04 1.08 -0.12 -1.24 -0.90 117.98 115.49 3a15 s PHE 142 Ca 0.34 -0.62 0.01 0.00 -0.05 0.00 0.00 56.93 56.62 3a15 s PHE 142 Cb 0.21 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.45 3a15 s PHE 142 CO 0.17 -0.47 -0.06 -1.83 -0.05 0.00 0.00 175.22 172.97 3a15 s GLU 143 N -3.49 0.49 0.14 1.99 4.04 -0.11 -4.57 118.70 117.19 3a15 s GLU 143 Ca 0.02 -0.77 0.06 0.00 0.04 0.00 0.00 54.97 54.33 3a15 s GLU 143 Cb 0.04 -0.16 -0.04 0.00 0.02 0.00 0.00 34.13 33.99 3a15 s GLU 143 CO -0.09 0.01 -0.14 0.95 -1.84 0.00 0.00 175.26 174.15 3a15 s THR 144 N -1.62 1.43 -0.16 1.83 -4.23 -1.26 -1.17 115.64 110.45 3a15 s THR 144 Ca -0.10 -1.82 -0.06 0.00 -1.18 0.00 0.00 61.69 58.53 3a15 s THR 144 Cb -0.08 -1.65 0.07 0.00 1.34 0.00 0.00 72.50 72.18 3a15 s THR 144 CO -0.01 -0.44 0.34 -0.22 -0.54 0.00 0.00 174.62 173.76 3a15 s LEU 145 N -2.62 -0.38 -0.04 4.79 2.96 -0.25 -4.63 118.68 118.51 3a15 s LEU 145 Ca 0.12 0.79 0.07 0.00 -0.22 0.00 0.00 54.13 54.89 3a15 s LEU 145 Cb -0.04 1.05 -0.01 0.00 0.50 0.00 0.00 46.19 47.68 3a15 s LEU 145 CO 0.04 -0.23 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.28 3a15 s TYR 146 N 2.32 2.40 -0.49 5.38 2.02 0.11 -0.80 117.35 128.29 3a15 s TYR 146 Ca -0.02 -0.61 0.05 0.00 -0.37 0.00 0.00 57.07 56.12 3a15 s TYR 146 Cb -0.12 -1.56 0.36 0.00 -0.40 0.00 0.00 41.96 40.25 3a15 s TYR 146 CO -0.11 -0.15 1.21 0.00 -1.57 0.00 0.00 175.55 174.94 3a15 n ALA 147 N 2.75 3.45 -3.78 3.71 0.00 -0.49 -1.15 120.51 125.00 3a15 n ALA 147 Ca -0.17 -1.07 -0.07 0.00 0.00 0.00 0.00 53.44 52.13 3a15 n ALA 147 Cb 0.52 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.73 -0.10 -0.03 0.00 -0.71 -1.26 -4.83 117.98 109.31 3a15 s PHE 148 Ca 0.26 -0.36 0.06 0.00 -1.04 0.00 0.00 56.93 55.85 3a15 s PHE 148 Cb 0.21 0.66 -0.08 0.00 -1.21 0.00 0.00 43.02 42.60 3a15 s PHE 148 CO 0.07 -1.24 0.08 1.04 -1.34 0.00 0.00 175.22 173.83 3a15 n GLN 149 N -0.46 1.51 -4.01 1.99 6.02 -1.26 -4.70 117.38 116.47 3a15 n GLN 149 Ca -0.04 -0.03 -0.31 0.00 -0.01 0.00 0.00 57.00 56.61 3a15 n GLN 149 Cb 0.59 -1.15 -0.06 0.00 1.02 0.00 0.00 30.24 30.65 3a15 n GLN 149 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3a15 s GLU 150 N -2.29 3.05 -1.08 -1.09 0.41 -1.26 -4.75 118.70 111.69 3a15 s GLU 150 Ca -0.03 -0.61 -0.11 0.00 -0.41 0.00 0.00 54.97 53.82 3a15 s GLU 150 Cb 0.03 -2.82 -0.05 0.00 -1.78 0.00 0.00 34.13 29.51 3a15 s GLU 150 CO 0.25 0.58 0.88 -0.25 -0.49 0.00 0.00 175.26 176.23 3a15 n ASP 151 N 0.45 -6.24 -4.73 -0.19 8.00 -1.26 -4.87 116.55 107.71 3a15 n ASP 151 Ca -0.08 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 3a15 n ASP 151 Cb 0.51 -4.60 -0.03 0.00 -0.02 0.00 0.00 41.12 36.98 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 -5.73 4.38 0.75 0.64 1.43 -1.26 -5.02 118.68 113.86 3a15 s LEU 152 Ca 0.46 2.45 -0.06 0.00 -1.03 0.00 0.00 54.13 55.95 3a15 s LEU 152 Cb -0.10 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.64 3a15 s LEU 152 CO 0.78 -0.65 1.05 -2.16 0.23 0.00 0.00 176.35 175.60 3a15 s PRO 153 N 0.54 1.70 4.40 1.29 0.04 -1.26 -3.25 135.00 138.45 3a15 s PRO 153 Ca 0.62 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.00 3a15 s PRO 153 Cb -0.39 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 31.96 3a15 s PRO 153 CO 0.35 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.28 3a15 n GLY 154 N -3.01 2.00 0.28 0.56 0.00 -1.26 -2.71 105.19 101.05 3a15 n GLY 154 Ca 0.12 -0.46 0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 0.42 -0.49 1.61 3.04 -1.99 -0.98 116.25 117.86 3a15 h VAL 155 Ca 0.00 -0.38 0.09 0.00 -1.01 0.00 0.00 66.70 65.40 3a15 h VAL 155 Cb 0.00 1.27 -0.03 0.00 -2.01 0.00 0.00 31.29 30.52 3a15 h VAL 155 CO 0.00 0.07 0.33 1.23 -1.01 0.00 0.00 177.57 178.20 3a15 h GLY 156 N 0.73 0.38 2.00 3.17 0.00 -1.81 -1.57 103.07 105.98 3a15 h GLY 156 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3a15 h GLY 156 CO 0.01 0.07 -0.05 0.00 0.00 0.00 0.00 176.54 176.57 3a15 h ALA 157 N 1.75 1.42 -0.02 3.60 0.00 -1.15 -2.67 119.26 122.19 3a15 h ALA 157 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3a15 h ALA 157 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3a15 h ALA 157 CO -0.05 0.07 -0.07 1.33 0.00 0.00 0.00 179.25 180.53 3a15 n VAL 158 N -3.76 0.00 -2.03 0.00 0.24 -0.60 -4.96 118.33 107.23 3a15 n VAL 158 Ca -0.02 -0.46 -0.29 0.00 -2.04 0.00 0.00 64.34 61.52 3a15 n VAL 158 Cb 0.15 1.40 0.15 0.00 -1.47 0.00 0.00 33.84 34.07 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 -1.81 1.08 0.15 7.34 -1.94 -1.01 -4.91 119.30 118.20 3a15 s MET 159 Ca 0.23 -0.40 -0.01 0.00 -1.71 0.00 0.00 55.69 53.79 3a15 s MET 159 Cb 0.17 -1.94 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 3a15 s MET 159 CO 0.30 -2.09 1.35 -0.44 -0.01 0.00 0.00 175.02 174.13 3a15 h ASP 160 N -1.34 0.41 0.00 3.03 3.32 -0.92 -3.49 116.42 117.43 3a15 h ASP 160 Ca -0.44 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.29 3a15 h ASP 160 Cb 1.26 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3a15 h ASP 160 CO 0.44 1.11 0.00 0.61 -1.72 0.00 0.00 179.24 179.69 3a15 n GLY 161 N 0.87 -0.58 3.39 2.75 0.00 -0.98 -5.02 105.19 105.63 3a15 n GLY 161 Ca -0.05 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.15 2.31 0.99 -0.61 1.10 -1.26 -0.65 121.20 119.94 3a15 s ILE 162 Ca 0.00 -1.55 -0.16 0.00 -0.51 0.00 0.00 60.65 58.43 3a15 s ILE 162 Cb 0.00 -1.98 0.19 0.00 0.15 0.00 0.00 42.46 40.82 3a15 s ILE 162 CO 0.00 0.21 1.23 -0.94 -2.11 0.00 0.00 174.94 173.33 3a15 s SER 163 N -1.72 2.86 1.03 4.50 1.04 0.37 -4.77 113.70 117.02 3a15 s SER 163 Ca 0.14 0.53 -0.09 0.00 0.48 0.00 0.00 55.95 57.00 3a15 s SER 163 Cb -0.10 -0.75 0.13 0.00 0.10 0.00 0.00 66.02 65.39 3a15 s SER 163 CO 0.05 -2.91 0.69 0.61 0.98 0.00 0.00 173.24 172.66 3a15 n GLY 164 N -2.84 -1.59 3.72 7.32 0.00 -1.26 -4.72 105.19 105.83 3a15 n GLY 164 Ca 0.12 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 -4.52 4.20 0.24 1.61 2.02 -1.26 -4.57 118.70 116.41 3a15 s GLU 165 Ca 0.40 2.40 0.05 0.00 0.02 0.00 0.00 54.97 57.84 3a15 s GLU 165 Cb -0.02 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 3a15 s GLU 165 CO 0.29 -0.61 0.34 0.96 0.02 0.00 0.00 175.26 176.25 3a15 s ILE 166 N 0.98 5.17 -0.04 -1.63 -4.36 -0.81 -3.42 121.20 117.09 3a15 s ILE 166 Ca 0.69 -1.02 -0.04 0.00 -0.26 0.00 0.00 60.65 60.03 3a15 s ILE 166 Cb -0.45 -3.80 -0.27 0.00 1.25 0.00 0.00 42.46 39.19 3a15 s ILE 166 CO 0.33 -0.32 0.69 -1.13 0.24 0.00 0.00 174.94 174.76 3a15 h ASN 167 N 1.27 0.40 -0.65 4.36 -0.73 -1.61 -3.42 115.58 115.19 3a15 h ASN 167 Ca -0.51 -0.65 -0.72 0.00 1.87 0.00 0.00 56.30 56.28 3a15 h ASN 167 Cb 1.23 -0.13 -0.07 0.00 0.27 0.00 0.00 38.32 39.61 3a15 h ASN 167 CO 0.61 1.56 2.83 -0.62 -0.37 0.00 0.00 177.43 181.44 3a15 n GLU 168 N -3.44 3.67 -3.74 6.67 4.71 -1.26 -4.69 120.64 122.56 3a15 n GLU 168 Ca -0.22 -2.97 -0.09 0.00 -0.01 0.00 0.00 57.16 53.87 3a15 n GLU 168 Cb 1.05 -2.92 -0.03 0.00 -1.01 0.00 0.00 31.44 28.53 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 1.15 -0.15 0.00 -0.32 -3.43 -1.26 -4.71 115.29 106.57 3a15 s HIS 169 Ca 0.52 -0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 3a15 s HIS 169 Cb 0.15 0.46 0.00 0.00 -1.43 0.00 0.00 32.58 31.75 3a15 s HIS 169 CO -0.06 -0.97 0.00 0.41 -2.00 0.00 0.00 174.74 172.12 3a15 n GLY 170 N -0.37 0.97 3.28 -1.38 0.00 -1.26 -4.71 105.19 101.73 3a15 n GLY 170 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.24 0.26 1.61 1.13 -1.26 -5.03 117.35 111.82 3a15 s TYR 171 Ca 0.00 0.36 -0.30 0.00 -1.41 0.00 0.00 57.07 55.72 3a15 s TYR 171 Cb 0.00 0.14 -0.11 0.00 -1.10 0.00 0.00 41.96 40.90 3a15 s TYR 171 CO 0.00 -0.44 1.53 -1.58 -2.51 0.00 0.00 175.55 172.55 3a15 s TRP 172 N -1.45 2.90 0.00 -3.49 0.52 -1.26 -1.50 118.94 114.66 3a15 s TRP 172 Ca -0.12 0.86 0.00 0.00 0.02 0.00 0.00 56.10 56.86 3a15 s TRP 172 Cb -0.04 -3.95 0.00 0.00 -1.15 0.00 0.00 33.47 28.33 3a15 s TRP 172 CO 0.04 -3.21 0.00 0.41 0.02 0.00 0.00 176.95 174.22 3a15 n GLY 173 N 2.37 2.78 0.28 0.98 0.00 -1.26 -4.95 105.19 105.39 3a15 n GLY 173 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 0.77 -0.20 1.61 4.64 -1.59 -2.56 113.55 116.21 3a15 h SER 174 Ca 0.00 -0.20 0.05 0.00 -0.47 0.00 0.00 61.79 61.18 3a15 h SER 174 Cb 0.00 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 61.82 3a15 h SER 174 CO 0.00 0.85 -0.20 -0.03 -0.87 0.00 0.00 176.83 176.59 3a15 h MET 175 N 0.73 -0.21 -0.60 4.77 -1.53 -1.84 -0.95 114.93 115.30 3a15 h MET 175 Ca 0.14 0.01 0.05 0.00 -3.44 0.00 0.00 59.70 56.46 3a15 h MET 175 Cb 0.50 0.05 -0.05 0.00 -0.55 0.00 0.00 31.60 31.54 3a15 h MET 175 CO 0.03 -0.14 0.33 -0.09 0.14 0.00 0.00 176.91 177.17 3a15 h ARG 176 N -0.22 0.60 -0.01 0.39 2.43 -1.94 -1.99 114.38 113.64 3a15 h ARG 176 Ca 0.12 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3a15 h ARG 176 Cb 0.40 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3a15 h ARG 176 CO -0.33 0.40 -0.09 0.93 -1.51 0.00 0.00 179.97 179.37 3a15 h GLU 177 N 0.62 0.02 0.00 0.20 5.08 -0.98 -2.00 114.58 117.51 3a15 h GLU 177 Ca 0.26 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3a15 h GLU 177 Cb 0.15 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3a15 h GLU 177 CO -0.16 0.11 -0.07 0.00 -1.00 0.00 0.00 179.01 177.89 3a15 h ARG 178 N 0.02 0.00 -6.22 2.33 3.08 -0.40 -3.43 114.38 109.75 3a15 h ARG 178 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.50 3a15 h ARG 178 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3a15 h ARG 178 CO 0.01 0.07 0.98 -0.06 -1.07 0.00 0.00 179.97 179.90 3a15 s PHE 179 N -3.71 2.45 0.42 3.04 0.40 -0.75 -4.65 117.98 115.19 3a15 s PHE 179 Ca 0.01 0.62 0.12 0.00 -0.60 0.00 0.00 56.93 57.07 3a15 s PHE 179 Cb 0.10 -3.71 0.97 0.00 0.51 0.00 0.00 43.02 40.89 3a15 s PHE 179 CO 0.57 -2.75 1.99 -1.35 0.70 0.00 0.00 175.22 174.38 3a15 h PRO 180 N 8.77 0.45 0.00 0.24 0.11 -1.78 -0.45 132.00 139.33 3a15 h PRO 180 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3a15 h PRO 180 Cb 1.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3a15 h PRO 180 CO 0.96 0.30 0.00 0.97 -0.21 0.00 0.00 178.00 180.01 3a15 h ILE 181 N 0.47 0.00 0.00 4.15 2.10 -1.35 -2.42 117.51 120.45 3a15 h ILE 181 Ca 0.25 -0.27 -0.00 0.00 1.08 0.00 0.00 64.86 65.92 3a15 h ILE 181 Cb 0.40 1.18 -0.00 0.00 -1.09 0.00 0.00 36.82 37.31 3a15 h ILE 181 CO -0.07 0.00 -0.00 0.77 -1.08 0.00 0.00 178.15 177.77 3a15 h SER 182 N 0.00 0.00 -0.15 2.19 4.64 -1.24 -1.24 113.55 117.75 3a15 h SER 182 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3a15 h SER 182 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3a15 h SER 182 CO 0.00 0.00 0.14 1.56 -0.87 0.00 0.00 176.83 177.66 3a15 h GLN 183 N 0.00 0.00 0.00 4.77 4.20 -1.58 -3.34 115.11 119.16 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 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3a15 h GLN 183 CO 0.00 0.00 -0.08 0.25 -0.67 0.00 0.00 178.83 178.33 3a15 n THR 184 N -4.10 0.00 -4.56 -0.54 -2.24 -0.96 -1.06 114.28 100.81 3a15 n THR 184 Ca 0.01 -0.09 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 3a15 n THR 184 Cb 0.26 0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.36 1.50 0.00 3.42 -1.08 -0.51 -4.83 116.67 114.81 3a15 s ASP 185 Ca 0.00 -0.23 0.27 0.00 -0.52 0.00 0.00 52.55 52.07 3a15 s ASP 185 Cb 0.00 -0.24 1.31 0.00 -1.46 0.00 0.00 42.92 42.54 3a15 s ASP 185 CO 0.00 0.14 1.92 0.79 0.52 0.00 0.00 175.17 178.54 3a15 n TRP 186 N 2.90 0.00 -3.94 -5.34 7.02 -1.26 -4.22 117.44 112.60 3a15 n TRP 186 Ca -0.15 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.05 3a15 n TRP 186 Cb 0.55 -0.36 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 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 -1.36 -4.29 -2.83 -0.99 2.81 -1.26 -4.92 117.12 104.27 3a15 n MET 187 Ca 0.11 0.50 -0.40 0.00 -1.81 0.00 0.00 57.70 56.10 3a15 n MET 187 Cb 0.25 -5.07 -0.05 0.00 -0.71 0.00 0.00 33.22 27.64 3a15 n MET 187 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3a15 s GLN 188 N -6.52 4.70 0.44 0.03 -1.52 -1.26 -4.66 119.66 110.86 3a15 s GLN 188 Ca 0.35 1.34 -0.24 0.00 -1.95 0.00 0.00 55.36 54.86 3a15 s GLN 188 Cb -0.18 -3.31 -0.08 0.00 -0.22 0.00 0.00 33.01 29.22 3a15 s GLN 188 CO 0.86 0.42 1.23 0.00 -0.25 0.00 0.00 175.29 177.55 3a15 s ALA 189 N -0.71 3.07 0.04 6.09 0.00 -1.26 -4.64 121.76 124.34 3a15 s ALA 189 Ca 0.41 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 53.32 3a15 s ALA 189 Cb -0.24 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.46 3a15 s ALA 189 CO 0.29 -0.77 0.26 -1.54 0.00 0.00 0.00 175.76 174.00 3a15 s SER 190 N -1.09 -0.07 0.00 0.00 1.04 -1.07 -5.03 113.70 107.48 3a15 s SER 190 Ca 0.61 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.81 3a15 s SER 190 Cb -0.33 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.11 3a15 s SER 190 CO 0.41 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.67 3a15 n GLY 191 N 0.70 -2.05 3.04 7.32 0.00 -1.26 -2.92 105.19 110.03 3a15 n GLY 191 Ca -0.19 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.10 0.36 0.02 1.61 8.01 -1.26 -4.95 118.70 122.39 3a15 s GLU 192 Ca 0.00 -0.36 -0.30 0.00 0.01 0.00 0.00 54.97 54.32 3a15 s GLU 192 Cb 0.00 0.15 -0.07 0.00 -4.31 0.00 0.00 34.13 29.90 3a15 s GLU 192 CO 0.00 -0.08 1.64 -1.17 0.01 0.00 0.00 175.26 175.67 3a15 s LEU 193 N -1.13 4.35 -0.04 1.80 2.96 -1.26 -4.45 118.68 120.91 3a15 s LEU 193 Ca -0.12 2.37 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 3a15 s LEU 193 Cb -0.07 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.09 3a15 s LEU 193 CO 0.01 -0.89 -0.06 -0.60 -1.32 0.00 0.00 176.35 173.49 3a15 s ARG 194 N 3.17 0.87 0.03 1.98 3.52 -0.83 -0.71 118.95 126.97 3a15 s ARG 194 Ca 0.73 -0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 3a15 s ARG 194 Cb -0.37 -0.84 -0.06 0.00 -1.56 0.00 0.00 34.95 32.12 3a15 s ARG 194 CO 0.31 -0.03 1.41 0.08 -0.81 0.00 0.00 175.30 176.26 3a15 s VAL 195 N 0.70 3.60 -0.40 7.11 1.01 -0.04 -0.60 120.40 131.77 3a15 s VAL 195 Ca -0.10 1.03 0.07 0.00 0.00 0.00 0.00 61.98 62.98 3a15 s VAL 195 Cb -0.13 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3a15 s VAL 195 CO 0.01 0.02 0.35 2.30 0.00 0.00 0.00 175.10 177.77 3a15 n ILE 196 N 4.51 0.00 -3.71 2.22 -5.35 0.29 -4.12 119.36 113.20 3a15 n ILE 196 Ca 0.13 -0.37 -0.13 0.00 -0.27 0.00 0.00 62.75 62.11 3a15 n ILE 196 Cb 0.43 1.02 -0.10 0.00 -1.74 0.00 0.00 39.64 39.26 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 -1.47 -1.14 0.00 -1.28 0.00 -1.11 -4.95 121.76 111.81 3a15 s ALA 197 Ca 0.03 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3a15 s ALA 197 Cb 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3a15 s ALA 197 CO 0.24 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.19 3a15 n GLY 198 N 2.97 -0.96 2.92 0.00 0.00 -1.26 -1.61 105.19 107.25 3a15 n GLY 198 Ca -0.14 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 0.32 0.51 1.61 -1.08 -1.26 -4.76 116.67 108.00 3a15 s ASP 199 Ca 0.00 0.23 0.30 0.00 -0.52 0.00 0.00 52.55 52.56 3a15 s ASP 199 Cb 0.00 1.06 1.42 0.00 -1.46 0.00 0.00 42.92 43.93 3a15 s ASP 199 CO 0.00 -0.30 1.83 -0.65 0.52 0.00 0.00 175.17 176.57 3a15 h PRO 200 N 8.20 0.10 0.00 4.34 0.11 -1.90 -2.16 132.00 140.68 3a15 h PRO 200 Ca -0.19 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 3a15 h PRO 200 Cb 1.15 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3a15 h PRO 200 CO 0.26 0.07 -0.06 0.00 -0.21 0.00 0.00 178.00 178.06 3a15 h ALA 201 N 1.51 1.00 -0.00 -0.75 0.00 -1.95 -3.33 119.26 115.73 3a15 h ALA 201 Ca 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3a15 h ALA 201 Cb 1.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3a15 h ALA 201 CO -0.08 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.58 3a15 n VAL 202 N -3.17 1.20 -4.45 0.00 0.24 -0.81 -4.93 118.33 106.41 3a15 n VAL 202 Ca 0.01 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 3a15 n VAL 202 Cb 0.37 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 3a15 n VAL 202 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a15 n GLY 203 N -0.70 0.17 7.00 7.63 0.00 -1.25 -5.02 105.19 113.02 3a15 n GLY 203 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.30 3.73 -0.02 0.00 -1.26 -4.64 105.19 103.31 3a15 n GLY 204 Ca 0.00 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 4.32 -0.02 1.61 0.52 -1.26 -0.97 118.95 123.15 3a15 s ARG 205 Ca 0.00 0.51 0.01 0.00 -0.52 0.00 0.00 55.73 55.73 3a15 s ARG 205 Cb 0.00 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 32.07 3a15 s ARG 205 CO 0.00 0.21 -0.02 0.08 0.02 0.00 0.00 175.30 175.59 3a15 s VAL 206 N 0.42 0.30 -0.11 3.52 1.01 -0.14 -4.12 120.40 121.28 3a15 s VAL 206 Ca 0.27 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.22 3a15 s VAL 206 Cb -0.16 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3a15 s VAL 206 CO 0.12 0.14 -0.19 -0.69 0.00 0.00 0.00 175.10 174.47 3a15 s VAL 207 N 0.53 1.78 -0.13 2.92 1.01 -0.63 -0.33 120.40 125.54 3a15 s VAL 207 Ca -0.06 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 3a15 s VAL 207 Cb -0.09 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3a15 s VAL 207 CO -0.01 0.50 -0.13 -0.69 0.00 0.00 0.00 175.10 174.77 3a15 s VAL 208 N 0.71 3.02 -0.02 2.92 1.01 -0.02 -0.55 120.40 127.47 3a15 s VAL 208 Ca -0.11 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 3a15 s VAL 208 Cb -0.16 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3a15 s VAL 208 CO 0.02 0.53 0.51 -0.60 0.00 0.00 0.00 175.10 175.55 3a15 s ARG 209 N 0.35 4.20 0.65 2.72 6.06 0.23 -2.69 118.95 130.47 3a15 s ARG 209 Ca -0.11 0.56 -0.10 0.00 -2.50 0.00 0.00 55.73 53.58 3a15 s ARG 209 Cb -0.16 -3.32 0.15 0.00 0.06 0.00 0.00 34.95 31.68 3a15 s ARG 209 CO 0.06 0.43 0.88 0.41 -2.50 0.00 0.00 175.30 174.58 3a15 n GLY 210 N 2.41 -1.19 3.39 8.12 0.00 -1.26 -1.97 105.19 114.68 3a15 n GLY 210 Ca -0.09 -1.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.01 3a15 n GLY 210 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3a15 s HIS 211 N -2.87 1.78 0.13 1.61 -3.43 -1.26 -4.73 115.29 106.51 3a15 s HIS 211 Ca 0.50 -0.85 -0.35 0.00 -0.80 0.00 0.00 55.06 53.57 3a15 s HIS 211 Cb -0.01 -1.05 -0.15 0.00 -1.43 0.00 0.00 32.58 29.93 3a15 s HIS 211 CO 0.35 0.09 1.48 -0.25 -2.00 0.00 0.00 174.74 174.41 3a15 n ASP 212 N -0.53 2.48 -2.45 7.38 8.00 -1.15 -2.97 116.55 127.31 3a15 n ASP 212 Ca -0.05 1.10 -0.19 0.00 0.71 0.00 0.00 54.79 56.36 3a15 n ASP 212 Cb 0.64 -1.33 0.02 0.00 -0.02 0.00 0.00 41.12 40.43 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 3.05 -5.51 -4.70 -2.24 3.02 0.39 -2.61 115.26 106.66 3a15 n ASN 213 Ca 0.18 -0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 3a15 n ASN 213 Cb 0.25 -4.43 0.02 0.00 -0.61 0.00 0.00 39.78 35.00 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 -4.23 2.75 -4.62 2.41 5.41 -1.16 -4.14 119.36 115.78 3a15 n ILE 214 Ca -0.15 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 62.79 3a15 n ILE 214 Cb 0.63 -1.56 -0.12 0.00 -0.71 0.00 0.00 39.64 37.88 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 -1.23 2.66 -0.10 -1.39 0.00 -0.71 -2.79 121.76 118.20 3a15 s ALA 215 Ca 0.63 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3a15 s ALA 215 Cb -0.49 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 21.86 3a15 s ALA 215 CO 0.56 0.58 -0.09 -1.17 0.00 0.00 0.00 175.76 175.64 3a15 s LEU 216 N -1.47 1.36 -0.14 0.00 2.96 -0.01 -0.58 118.68 120.80 3a15 s LEU 216 Ca 0.15 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3a15 s LEU 216 Cb -0.11 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 3a15 s LEU 216 CO 0.06 -0.07 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.47 3a15 s ILE 217 N 1.37 3.91 -0.25 6.68 2.07 0.11 -1.26 121.20 133.82 3a15 s ILE 217 Ca -0.01 -0.36 -0.01 0.00 -1.41 0.00 0.00 60.65 58.85 3a15 s ILE 217 Cb -0.14 -2.69 0.03 0.00 0.13 0.00 0.00 42.46 39.79 3a15 s ILE 217 CO -0.05 0.51 -0.06 -0.60 -1.91 0.00 0.00 174.94 172.84 3a15 s ARG 218 N 0.13 2.81 -0.14 3.50 3.52 0.00 -0.73 118.95 128.05 3a15 s ARG 218 Ca -0.01 -1.00 0.01 0.00 -0.13 0.00 0.00 55.73 54.60 3a15 s ARG 218 Cb -0.14 -2.98 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 3a15 s ARG 218 CO 0.03 -0.41 -0.14 0.45 -0.81 0.00 0.00 175.30 174.42 3a15 s SER 219 N 1.32 2.59 0.25 -2.12 0.15 -1.00 -0.44 113.70 114.45 3a15 s SER 219 Ca -0.00 -0.46 0.07 0.00 0.70 0.00 0.00 55.95 56.26 3a15 s SER 219 Cb -0.17 -1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 62.95 3a15 s SER 219 CO -0.04 -0.04 -0.10 -0.83 1.20 0.00 0.00 173.24 173.42 3a15 s GLY 220 N 1.38 1.68 -0.02 9.45 0.00 0.14 -1.15 107.32 118.80 3a15 s GLY 220 Ca 0.02 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 42.94 3a15 s GLY 220 CO -0.08 -1.82 -0.03 1.20 0.00 0.00 0.00 173.10 172.37 3a15 s GLN 221 N -3.68 0.41 -0.12 2.90 1.11 -0.15 -2.55 119.66 117.58 3a15 s GLN 221 Ca 0.27 -0.07 -0.04 0.00 0.01 0.00 0.00 55.36 55.53 3a15 s GLN 221 Cb 0.01 -0.46 0.05 0.00 -1.01 0.00 0.00 33.01 31.60 3a15 s GLN 221 CO 0.10 -0.01 0.09 0.34 0.01 0.00 0.00 175.29 175.82 3a15 s ASP 222 N 0.42 1.84 -0.08 5.90 2.15 0.23 -0.93 116.67 126.20 3a15 s ASP 222 Ca -0.04 -0.33 0.11 0.00 0.43 0.00 0.00 52.55 52.72 3a15 s ASP 222 Cb -0.08 -0.17 0.17 0.00 -0.30 0.00 0.00 42.92 42.55 3a15 s ASP 222 CO -0.01 -0.31 1.08 -2.67 -0.17 0.00 0.00 175.17 173.09 3a15 n TRP 223 N 5.29 0.00 -0.27 -5.34 2.14 -0.73 -1.38 117.44 117.15 3a15 n TRP 223 Ca -0.05 -0.76 -0.05 0.00 2.07 0.00 0.00 57.50 58.71 3a15 n TRP 223 Cb 0.49 -0.11 0.06 0.00 -0.81 0.00 0.00 31.31 30.95 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 0.00 0.94 -0.51 -1.67 0.00 -1.87 -2.81 119.26 113.33 3a15 h ALA 224 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3a15 h ALA 224 Cb 0.84 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3a15 h ALA 224 CO 0.00 0.42 0.00 -0.25 0.00 0.00 0.00 179.25 179.42 3a15 n ASP 225 N -4.51 3.41 -4.80 0.00 8.00 -1.26 -5.00 116.55 112.39 3a15 n ASP 225 Ca 0.07 -2.02 -0.33 0.00 0.71 0.00 0.00 54.79 53.21 3a15 n ASP 225 Cb 0.06 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.05 2.76 0.86 2.24 0.00 -1.06 -4.98 121.76 120.54 3a15 s ALA 226 Ca 0.35 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 3a15 s ALA 226 Cb 0.18 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 20.18 3a15 s ALA 226 CO 0.23 -0.75 1.09 -1.21 0.00 0.00 0.00 175.76 175.13 3a15 s GLU 227 N -3.99 1.51 0.24 0.00 0.41 -1.26 -4.74 118.70 110.87 3a15 s GLU 227 Ca 0.64 0.87 -0.04 0.00 -0.41 0.00 0.00 54.97 56.02 3a15 s GLU 227 Cb -0.16 -1.83 0.42 0.00 -1.78 0.00 0.00 34.13 30.78 3a15 s GLU 227 CO 0.35 -2.08 1.76 0.00 -0.49 0.00 0.00 175.26 174.81 3a15 h ALA 228 N -1.43 1.09 -0.65 5.21 0.00 -1.99 -0.41 119.26 121.08 3a15 h ALA 228 Ca -0.48 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 3a15 h ALA 228 Cb 1.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3a15 h ALA 228 CO 0.54 -0.10 0.07 0.38 0.00 0.00 0.00 179.25 180.14 3a15 h ASP 229 N 0.57 1.07 0.40 0.00 2.03 -1.99 -0.72 116.42 117.79 3a15 h ASP 229 Ca 0.40 -0.28 -0.13 0.00 -0.73 0.00 0.00 57.03 56.29 3a15 h ASP 229 Cb 0.51 -0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 38.71 3a15 h ASP 229 CO -0.33 1.08 -0.56 -0.33 -1.03 0.00 0.00 179.24 178.08 3a15 h GLU 230 N 1.03 0.16 -0.64 4.15 5.08 -1.75 -1.42 114.58 121.19 3a15 h GLU 230 Ca 0.19 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3a15 h GLU 230 Cb 0.49 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3a15 h GLU 230 CO 0.02 0.68 0.25 0.00 -1.00 0.00 0.00 179.01 178.96 3a15 h ARG 231 N 0.13 0.95 -0.40 2.33 3.08 -0.72 -1.95 114.38 117.79 3a15 h ARG 231 Ca -0.00 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 3a15 h ARG 231 Cb 1.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3a15 h ARG 231 CO 0.08 0.78 -0.33 0.77 -1.07 0.00 0.00 179.97 180.20 3a15 h SER 232 N 0.93 0.99 -0.42 7.04 0.02 -0.96 0.12 113.55 121.28 3a15 h SER 232 Ca 0.22 -0.45 0.07 0.00 -0.84 0.00 0.00 61.79 60.79 3a15 h SER 232 Cb 0.19 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 3a15 h SER 232 CO -0.02 1.23 0.08 0.25 -1.14 0.00 0.00 176.83 177.23 3a15 h LEU 233 N 0.76 -0.00 0.47 5.07 5.85 -1.09 0.11 115.31 126.48 3a15 h LEU 233 Ca 0.07 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3a15 h LEU 233 Cb 0.93 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3a15 h LEU 233 CO 0.09 0.03 -0.23 0.22 -0.34 0.00 0.00 178.44 178.21 3a15 h TYR 234 N 0.21 -0.59 -0.39 1.25 3.20 -1.21 -1.74 116.97 117.70 3a15 h TYR 234 Ca 0.20 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3a15 h TYR 234 Cb 0.25 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3a15 h TYR 234 CO -0.21 -0.32 0.02 -0.07 -1.64 0.00 0.00 178.16 175.94 3a15 h LEU 235 N -1.12 0.57 0.00 2.82 3.38 -0.70 0.15 115.31 120.41 3a15 h LEU 235 Ca -0.06 -0.11 -0.36 0.00 0.09 0.00 0.00 57.88 57.44 3a15 h LEU 235 Cb 0.54 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3a15 h LEU 235 CO 0.11 0.63 -2.35 0.47 0.09 0.00 0.00 178.44 177.39 3a15 n ASP 236 N -4.27 1.12 -0.09 -0.43 8.00 0.36 -4.29 116.55 116.96 3a15 n ASP 236 Ca 0.02 -0.06 -0.08 0.00 0.71 0.00 0.00 54.79 55.38 3a15 n ASP 236 Cb 0.25 0.35 -0.16 0.00 -0.02 0.00 0.00 41.12 41.54 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 -2.94 0.71 -0.11 -1.24 1.02 -0.78 -4.64 120.64 112.66 3a15 n GLU 237 Ca -0.37 -0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.53 3a15 n GLU 237 Cb 1.05 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.88 3a15 n GLU 237 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3a15 n ILE 238 N -2.69 1.36 -0.18 -3.67 5.41 -0.73 -4.70 119.36 114.16 3a15 n ILE 238 Ca -0.30 -0.22 -0.03 0.00 1.00 0.00 0.00 62.75 63.20 3a15 n ILE 238 Cb 1.09 -1.93 0.07 0.00 -0.71 0.00 0.00 39.64 38.16 3a15 n ILE 238 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3a15 h LEU 239 N -0.87 0.38 -1.18 1.39 5.85 -0.92 -0.69 115.31 119.27 3a15 h LEU 239 Ca -0.47 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.35 3a15 h LEU 239 Cb 1.38 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.32 3a15 h LEU 239 CO -0.29 0.25 0.57 -0.65 -0.34 0.00 0.00 178.44 177.99 3a15 h PRO 240 N 0.52 0.95 -0.11 5.25 0.11 -1.82 0.48 132.00 137.37 3a15 h PRO 240 Ca 0.25 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.16 3a15 h PRO 240 Cb 0.17 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.08 3a15 h PRO 240 CO -0.18 0.63 -0.47 1.15 -0.21 0.00 0.00 178.00 178.91 3a15 h THR 241 N 0.98 1.36 -0.73 -1.15 2.02 -1.71 -2.27 112.91 111.41 3a15 h THR 241 Ca 0.38 -1.79 0.06 0.00 0.77 0.00 0.00 66.41 65.83 3a15 h THR 241 Cb 0.23 2.16 -0.06 0.00 -1.74 0.00 0.00 68.15 68.74 3a15 h THR 241 CO -0.14 0.54 0.43 0.25 0.37 0.00 0.00 175.52 176.96 3a15 h LEU 242 N 0.12 0.65 -0.41 2.58 5.85 -0.69 -1.47 115.31 121.95 3a15 h LEU 242 Ca -0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3a15 h LEU 242 Cb 1.11 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3a15 h LEU 242 CO 0.10 0.42 0.27 -0.61 -0.34 0.00 0.00 178.44 178.28 3a15 h GLN 243 N 0.78 0.54 -0.49 1.25 5.75 -0.04 0.36 115.11 123.26 3a15 h GLN 243 Ca 0.32 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.84 3a15 h GLN 243 Cb 0.17 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.55 3a15 h GLN 243 CO -0.17 0.36 0.21 1.03 -2.65 0.00 0.00 178.83 177.61 3a15 h SER 244 N 0.55 0.27 -0.65 -0.69 0.87 -0.91 0.11 113.55 113.11 3a15 h SER 244 Ca 0.15 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 3a15 h SER 244 Cb -0.06 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 3a15 h SER 244 CO -0.03 0.19 0.20 1.23 -0.53 0.00 0.00 176.83 177.88 3a15 h GLY 245 N 0.42 1.09 1.03 5.77 0.00 -0.85 -0.92 103.07 109.61 3a15 h GLY 245 Ca 0.22 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3a15 h GLY 245 CO -0.19 0.61 -0.03 -0.33 0.00 0.00 0.00 176.54 176.61 3a15 h MET 246 N 0.95 0.91 -0.79 4.80 2.07 -0.62 -1.73 114.93 120.52 3a15 h MET 246 Ca 0.21 -0.30 0.01 0.00 -2.07 0.00 0.00 59.70 57.54 3a15 h MET 246 Cb 0.31 -0.08 -0.04 0.00 -1.87 0.00 0.00 31.60 29.92 3a15 h MET 246 CO -0.00 0.95 0.52 -0.44 1.07 0.00 0.00 176.91 179.01 3a15 h ASP 247 N 0.78 0.91 0.03 1.22 3.32 -0.83 -0.02 116.42 121.84 3a15 h ASP 247 Ca 0.14 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.18 3a15 h ASP 247 Cb 0.56 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3a15 h ASP 247 CO 0.03 0.66 -0.15 0.15 -1.72 0.00 0.00 179.24 178.22 3a15 h PHE 248 N 1.07 -0.38 -0.46 4.55 3.57 -0.87 -1.48 116.94 122.95 3a15 h PHE 248 Ca 0.29 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 3a15 h PHE 248 Cb -0.12 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3a15 h PHE 248 CO -0.02 -0.22 0.04 -0.07 -2.23 0.00 0.00 178.31 175.82 3a15 h LEU 249 N -0.26 0.68 -1.37 0.59 3.38 -0.98 0.34 115.31 117.70 3a15 h LEU 249 Ca 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3a15 h LEU 249 Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3a15 h LEU 249 CO -0.12 0.72 0.26 -0.09 0.09 0.00 0.00 178.44 179.31 3a15 h ARG 250 N 0.69 0.69 -0.00 1.13 2.43 -0.73 -2.96 114.38 115.62 3a15 h ARG 250 Ca 0.14 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3a15 h ARG 250 Cb 0.36 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3a15 h ARG 250 CO 0.01 0.52 -0.33 -0.25 -1.51 0.00 0.00 179.97 178.42 3a15 n ASP 251 N -4.40 0.91 -1.08 -3.80 8.00 -0.58 -4.49 116.55 111.11 3a15 n ASP 251 Ca 0.04 -0.95 0.05 0.00 0.71 0.00 0.00 54.79 54.64 3a15 n ASP 251 Cb 0.11 0.70 0.11 0.00 -0.02 0.00 0.00 41.12 42.02 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 -0.67 1.34 0.25 -2.24 3.02 0.08 -4.96 115.26 112.06 3a15 n ASN 252 Ca 0.03 -2.89 -0.16 0.00 -0.03 0.00 0.00 54.58 51.53 3a15 n ASN 252 Cb 0.19 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 38.88 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 1.00 -0.68 1.06 7.41 0.00 -1.72 -2.82 103.07 107.32 3a15 h GLY 253 Ca -0.12 0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.58 3a15 h GLY 253 CO 0.05 -0.26 0.43 -2.55 0.00 0.00 0.00 176.54 174.22 3a15 h PRO 254 N -0.65 0.57 0.00 4.80 0.11 -1.90 -0.11 132.00 134.82 3a15 h PRO 254 Ca -0.04 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 3a15 h PRO 254 Cb 0.54 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3a15 h PRO 254 CO 0.04 0.38 -0.28 0.00 -0.21 0.00 0.00 178.00 177.92 3a15 h ALA 255 N 1.66 1.43 -0.01 -0.75 0.00 -1.87 -3.20 119.26 116.51 3a15 h ALA 255 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a15 h ALA 255 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3a15 h ALA 255 CO -0.09 0.36 -0.24 1.33 0.00 0.00 0.00 179.25 180.60 3a15 n VAL 256 N -4.05 0.00 -0.55 0.00 0.24 -0.56 -5.00 118.33 108.41 3a15 n VAL 256 Ca -0.02 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3a15 n VAL 256 Cb 0.35 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 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 0.94 0.72 3.38 7.63 0.00 -0.19 -4.78 105.19 112.89 3a15 n GLY 257 Ca 0.04 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 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 8.74 0.84 -2.12 0.00 0.05 -0.85 -3.36 116.97 120.27 3a15 h TYR 259 Ca -0.28 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.51 3a15 h TYR 259 Cb 1.11 -0.28 -0.22 0.00 1.01 0.00 0.00 36.73 38.35 3a15 h TYR 259 CO 0.64 0.55 -0.07 0.45 -1.05 0.00 0.00 178.16 178.68 3a15 s SER 260 N -6.45 -0.88 -0.11 3.88 0.15 -1.09 -4.74 113.70 104.46 3a15 s SER 260 Ca -0.10 1.41 0.01 0.00 0.70 0.00 0.00 55.95 57.97 3a15 s SER 260 Cb 0.17 1.44 0.02 0.00 -1.71 0.00 0.00 66.02 65.94 3a15 s SER 260 CO 0.77 -0.23 -0.13 0.21 1.20 0.00 0.00 173.24 175.06 3a15 s ASN 261 N 1.85 2.33 -0.05 5.45 2.47 -1.26 -0.92 114.94 124.81 3a15 s ASN 261 Ca -0.09 -0.39 0.05 0.00 0.42 0.00 0.00 52.86 52.85 3a15 s ASN 261 Cb -0.07 -1.02 -0.01 0.00 -1.45 0.00 0.00 41.25 38.70 3a15 s ASN 261 CO -0.18 -0.02 -0.21 -0.13 -3.72 0.00 0.00 177.10 172.84 3a15 s ARG 262 N 1.15 2.09 -0.27 0.43 0.52 -0.08 -4.64 118.95 118.15 3a15 s ARG 262 Ca -0.04 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.46 3a15 s ARG 262 Cb -0.14 -1.81 0.07 0.00 0.52 0.00 0.00 34.95 33.58 3a15 s ARG 262 CO -0.03 0.32 -0.08 0.12 0.02 0.00 0.00 175.30 175.64 3a15 s PHE 263 N -0.09 3.28 0.15 -0.53 5.36 -1.26 -0.68 117.98 124.21 3a15 s PHE 263 Ca -0.03 -2.39 0.11 0.00 -0.96 0.00 0.00 56.93 53.66 3a15 s PHE 263 Cb -0.12 -2.04 -0.04 0.00 -0.34 0.00 0.00 43.02 40.47 3a15 s PHE 263 CO 0.03 -0.88 -0.23 0.14 -1.46 0.00 0.00 175.22 172.81 3a15 s VAL 264 N 1.09 2.47 -0.12 3.12 -7.23 -0.04 -4.79 120.40 114.90 3a15 s VAL 264 Ca -0.06 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3a15 s VAL 264 Cb -0.20 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 3a15 s VAL 264 CO -0.06 0.01 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.99 3a15 s ARG 265 N -2.33 3.27 0.51 4.82 6.06 -0.57 -1.15 118.95 129.56 3a15 s ARG 265 Ca 0.18 -0.74 -0.23 0.00 -2.50 0.00 0.00 55.73 52.44 3a15 s ARG 265 Cb -0.09 -2.54 -0.06 0.00 0.06 0.00 0.00 34.95 32.32 3a15 s ARG 265 CO 0.09 0.22 1.32 -0.80 -2.50 0.00 0.00 175.30 173.63 3a15 s ASN 266 N 0.32 5.59 0.15 -2.12 -0.87 0.41 -0.89 114.94 117.53 3a15 s ASN 266 Ca -0.13 2.68 0.06 0.00 -1.57 0.00 0.00 52.86 53.90 3a15 s ASN 266 Cb -0.16 -2.63 -0.04 0.00 -0.02 0.00 0.00 41.25 38.39 3a15 s ASN 266 CO 0.06 -1.34 -0.12 0.27 -2.57 0.00 0.00 177.10 173.40 3a15 s ILE 267 N -1.34 1.34 0.92 0.60 -4.36 -0.14 -0.36 121.20 117.86 3a15 s ILE 267 Ca 0.68 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.94 3a15 s ILE 267 Cb -0.38 -1.80 0.20 0.00 1.25 0.00 0.00 42.46 41.73 3a15 s ILE 267 CO 0.46 -0.63 1.26 1.51 0.24 0.00 0.00 174.94 177.78 3a15 s ASP 268 N -3.01 3.23 0.40 4.36 1.47 -0.31 -4.41 116.67 118.40 3a15 s ASP 268 Ca 0.16 -0.01 0.27 0.00 1.18 0.00 0.00 52.55 54.15 3a15 s ASP 268 Cb -0.00 -0.04 1.48 0.00 -0.34 0.00 0.00 42.92 44.01 3a15 s ASP 268 CO 0.03 -2.64 1.84 -0.29 0.68 0.00 0.00 175.17 174.79 3a15 h ILE 269 N -1.43 0.00 -0.02 2.11 6.09 -1.98 0.10 117.51 122.37 3a15 h ILE 269 Ca -0.41 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 3a15 h ILE 269 Cb 1.23 0.63 0.00 0.00 0.47 0.00 0.00 36.82 39.14 3a15 h ILE 269 CO 0.34 0.00 -0.07 0.47 -3.07 0.00 0.00 178.15 175.83 3a15 n ASP 270 N -2.46 2.49 0.00 2.19 8.00 -1.26 -4.88 116.55 120.63 3a15 n ASP 270 Ca -0.02 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.69 3a15 n ASP 270 Cb 0.05 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 1.32 0.76 3.81 0.44 0.00 0.02 -5.06 105.19 106.48 3a15 n GLY 271 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.38 7.09 0.37 1.61 0.01 -1.26 -4.80 114.94 115.57 3a15 s ASN 272 Ca 0.00 1.32 -0.27 0.00 -0.71 0.00 0.00 52.86 53.20 3a15 s ASN 272 Cb 0.00 -2.38 -0.09 0.00 0.41 0.00 0.00 41.25 39.19 3a15 s ASN 272 CO 0.00 0.21 1.24 -0.36 -1.51 0.00 0.00 177.10 176.69 3a15 s PHE 273 N -1.22 3.05 0.28 2.20 0.08 -1.26 -1.16 117.98 119.95 3a15 s PHE 273 Ca 0.33 1.48 0.09 0.00 0.12 0.00 0.00 56.93 58.95 3a15 s PHE 273 Cb -0.19 -3.55 -0.04 0.00 -0.57 0.00 0.00 43.02 38.66 3a15 s PHE 273 CO 0.20 -1.63 0.08 -0.51 -0.10 0.00 0.00 175.22 173.27 3a15 s LEU 274 N -2.13 3.36 -0.75 -0.37 1.43 0.51 -4.84 118.68 115.90 3a15 s LEU 274 Ca 0.53 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3a15 s LEU 274 Cb -0.36 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 43.90 3a15 s LEU 274 CO 0.47 -0.09 3.05 0.47 0.23 0.00 0.00 176.35 180.48 3a15 n ASP 275 N -1.03 6.92 -3.98 2.29 8.00 -1.26 -4.39 116.55 123.09 3a15 n ASP 275 Ca -0.06 -2.78 -0.09 0.00 0.71 0.00 0.00 54.79 52.57 3a15 n ASP 275 Cb 0.59 -1.40 -0.11 0.00 -0.02 0.00 0.00 41.12 40.18 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 -0.82 2.19 0.19 0.64 1.02 -1.26 -1.77 118.68 118.86 3a15 s LEU 276 Ca 0.64 -0.56 -0.12 0.00 0.02 0.00 0.00 54.13 54.11 3a15 s LEU 276 Cb 0.27 0.20 0.00 0.00 0.02 0.00 0.00 46.19 46.69 3a15 s LEU 276 CO -0.08 -0.37 0.38 -0.94 0.02 0.00 0.00 176.35 175.36 3a15 s SER 277 N -1.74 -0.06 0.08 2.29 1.04 -0.11 -0.44 113.70 114.76 3a15 s SER 277 Ca -0.11 -0.78 -0.26 0.00 0.48 0.00 0.00 55.95 55.28 3a15 s SER 277 Cb -0.06 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.64 3a15 s SER 277 CO -0.02 -0.98 0.72 -0.72 0.98 0.00 0.00 173.24 173.21 3a15 s TYR 278 N -3.95 -0.47 0.13 5.02 1.13 -0.30 -0.98 117.35 117.93 3a15 s TYR 278 Ca 0.16 0.32 -0.23 0.00 -1.41 0.00 0.00 57.07 55.92 3a15 s TYR 278 Cb 0.02 0.54 -0.07 0.00 -1.10 0.00 0.00 41.96 41.34 3a15 s TYR 278 CO 0.01 -0.72 0.69 1.21 -2.51 0.00 0.00 175.55 174.23 3a15 s ASN 279 N -2.56 7.24 -0.29 -0.18 3.04 -0.30 -0.86 114.94 121.04 3a15 s ASN 279 Ca 0.02 1.48 0.02 0.00 0.04 0.00 0.00 52.86 54.42 3a15 s ASN 279 Cb -0.01 -2.44 0.07 0.00 -1.54 0.00 0.00 41.25 37.33 3a15 s ASN 279 CO -0.10 0.23 -0.05 -0.63 -3.04 0.00 0.00 177.10 173.50 3a15 s ILE 280 N -1.15 2.38 -0.16 -5.21 1.01 0.15 -2.38 121.20 115.83 3a15 s ILE 280 Ca 0.33 -1.73 0.01 0.00 0.00 0.00 0.00 60.65 59.26 3a15 s ILE 280 Cb -0.21 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.81 3a15 s ILE 280 CO 0.23 -0.16 -0.18 -0.83 0.00 0.00 0.00 174.94 174.00 3a15 s GLY 281 N 1.12 1.28 -0.20 6.18 0.00 0.10 -0.90 107.32 114.90 3a15 s GLY 281 Ca -0.04 -1.07 -0.09 0.00 0.00 0.00 0.00 44.72 43.52 3a15 s GLY 281 CO -0.05 0.33 0.10 0.30 0.00 0.00 0.00 173.10 173.78 3a15 s HIS 282 N 1.30 3.30 0.02 1.90 3.76 -0.10 -0.72 115.29 124.75 3a15 s HIS 282 Ca 0.03 0.15 0.07 0.00 -0.15 0.00 0.00 55.06 55.16 3a15 s HIS 282 Cb -0.13 -2.13 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 3a15 s HIS 282 CO -0.11 0.16 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.16 3a15 s TRP 283 N 0.51 1.78 0.47 1.40 0.52 0.25 -0.19 118.94 123.68 3a15 s TRP 283 Ca 0.05 -0.36 0.30 0.00 0.02 0.00 0.00 56.10 56.11 3a15 s TRP 283 Cb -0.12 -1.09 1.64 0.00 -1.15 0.00 0.00 33.47 32.75 3a15 s TRP 283 CO 0.00 0.04 2.14 0.00 0.02 0.00 0.00 176.95 179.16 3a15 h ALA 284 N 5.16 1.30 -2.54 0.98 0.00 -0.81 -1.90 119.26 121.45 3a15 h ALA 284 Ca -0.41 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3a15 h ALA 284 Cb 1.15 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 3a15 h ALA 284 CO 0.45 0.09 0.22 -1.54 0.00 0.00 0.00 179.25 178.48 3a15 s SER 285 N -6.03 -0.59 0.39 0.00 1.04 -1.26 -4.51 113.70 102.74 3a15 s SER 285 Ca -0.03 0.29 0.07 0.00 0.48 0.00 0.00 55.95 56.76 3a15 s SER 285 Cb 0.13 0.56 0.78 0.00 0.10 0.00 0.00 66.02 67.60 3a15 s SER 285 CO 0.56 -0.80 1.98 0.25 0.98 0.00 0.00 173.24 176.21 3a15 h LEU 286 N 2.41 0.43 -0.92 2.42 5.85 -1.83 -2.76 115.31 120.90 3a15 h LEU 286 Ca -0.30 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3a15 h LEU 286 Cb 1.24 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3a15 h LEU 286 CO 0.38 0.40 0.58 0.44 -0.34 0.00 0.00 178.44 179.91 3a15 h ASP 287 N 0.47 1.08 0.24 1.25 5.19 -1.94 -0.53 116.42 122.17 3a15 h ASP 287 Ca 0.12 -0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.33 3a15 h ASP 287 Cb 0.12 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 3a15 h ASP 287 CO -0.01 0.81 -0.59 1.56 -3.12 0.00 0.00 179.24 177.89 3a15 h GLN 288 N 1.26 0.36 -0.46 3.56 4.20 -1.82 -0.40 115.11 121.80 3a15 h GLN 288 Ca 0.33 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3a15 h GLN 288 Cb -0.10 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3a15 h GLN 288 CO -0.07 0.84 0.10 1.25 -0.67 0.00 0.00 178.83 180.28 3a15 h LEU 289 N 0.27 0.72 -0.12 1.46 5.85 -1.34 -2.10 115.31 120.05 3a15 h LEU 289 Ca -0.00 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.49 3a15 h LEU 289 Cb 1.11 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3a15 h LEU 289 CO 0.10 0.78 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.63 3a15 h GLU 290 N 0.63 0.03 -0.68 1.25 5.08 -0.73 -1.64 114.58 118.52 3a15 h GLU 290 Ca 0.14 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3a15 h GLU 290 Cb 0.35 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3a15 h GLU 290 CO 0.00 0.02 0.44 0.00 -1.00 0.00 0.00 179.01 178.47 3a15 h ARG 291 N 0.03 0.86 -0.03 2.33 2.47 -0.93 -2.21 114.38 116.89 3a15 h ARG 291 Ca 0.06 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3a15 h ARG 291 Cb 0.07 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 3a15 h ARG 291 CO -0.11 0.57 0.00 2.35 0.56 0.00 0.00 179.97 183.34 3a15 h TRP 292 N 0.88 0.05 -0.51 3.04 7.01 -1.23 -2.97 115.95 122.22 3a15 h TRP 292 Ca 0.26 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.26 3a15 h TRP 292 Cb -0.06 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 3a15 h TRP 292 CO -0.03 0.29 0.34 0.66 -2.79 0.00 0.00 178.44 176.90 3a15 h SER 293 N -0.21 0.55 -0.06 2.65 4.64 -1.04 -0.75 113.55 119.34 3a15 h SER 293 Ca 0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a15 h SER 293 Cb 0.27 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3a15 h SER 293 CO 0.00 0.40 0.00 -1.84 -0.87 0.00 0.00 176.83 174.52 3a15 n GLU 294 N -4.46 1.82 0.00 4.77 0.28 -0.86 -4.41 120.64 117.78 3a15 n GLU 294 Ca 0.05 -1.20 0.00 0.00 -0.16 0.00 0.00 57.16 55.85 3a15 n GLU 294 Cb 0.08 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.49 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 0.45 2.25 -4.73 -1.84 3.41 -0.98 -4.99 113.62 107.18 3a15 n SER 295 Ca 0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.37 3a15 n SER 295 Cb 0.40 0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.40 3.52 0.44 7.33 2.46 -0.32 -4.91 115.29 122.40 3a15 s HIS 296 Ca 0.00 1.49 0.14 0.00 0.47 0.00 0.00 55.06 57.16 3a15 s HIS 296 Cb 0.00 -3.34 1.04 0.00 -0.13 0.00 0.00 32.58 30.15 3a15 s HIS 296 CO 0.00 -0.89 1.98 -1.35 -2.47 0.00 0.00 174.74 172.01 3a15 h PRO 297 N 5.55 0.38 0.40 2.88 0.11 -1.96 -1.68 132.00 137.69 3a15 h PRO 297 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3a15 h PRO 297 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3a15 h PRO 297 CO 0.75 0.25 -0.19 1.79 -0.21 0.00 0.00 178.00 180.39 3a15 h THR 298 N 0.40 0.58 -0.60 -1.15 1.35 -1.91 -0.28 112.91 111.31 3a15 h THR 298 Ca 0.28 -0.37 -0.04 0.00 -0.55 0.00 0.00 66.41 65.73 3a15 h THR 298 Cb 0.56 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 67.70 3a15 h THR 298 CO -0.07 0.07 0.20 -0.74 -0.25 0.00 0.00 175.52 174.73 3a15 h HIS 299 N -0.76 0.90 -0.76 4.73 -0.00 -1.83 -2.56 115.15 114.87 3a15 h HIS 299 Ca -0.06 -0.06 -0.04 0.00 -0.00 0.00 0.00 60.37 60.21 3a15 h HIS 299 Cb 0.52 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.63 3a15 h HIS 299 CO -0.00 0.71 0.33 -0.07 -0.00 0.00 0.00 177.93 178.90 3a15 h LEU 300 N 0.86 1.03 -0.14 0.26 3.38 -1.21 -0.19 115.31 119.30 3a15 h LEU 300 Ca 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3a15 h LEU 300 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3a15 h LEU 300 CO -0.01 0.90 0.09 -0.09 0.09 0.00 0.00 178.44 179.42 3a15 h ARG 301 N 1.08 0.19 -0.03 1.13 2.43 -0.77 -2.17 114.38 116.24 3a15 h ARG 301 Ca 0.26 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.26 3a15 h ARG 301 Cb 0.18 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3a15 h ARG 301 CO -0.03 0.15 -0.66 -0.84 -1.51 0.00 0.00 179.97 177.09 3a15 h ILE 302 N 0.17 1.44 -0.29 1.20 3.07 -1.26 -1.81 117.51 120.02 3a15 h ILE 302 Ca 0.05 -2.17 0.05 0.00 1.55 0.00 0.00 64.86 64.34 3a15 h ILE 302 Cb 0.01 2.15 -0.05 0.00 -0.27 0.00 0.00 36.82 38.66 3a15 h ILE 302 CO -0.01 0.63 -0.04 0.15 -1.05 0.00 0.00 178.15 177.83 3a15 h PHE 303 N 0.08 -0.10 -0.22 0.16 3.57 -0.98 -1.23 116.94 118.23 3a15 h PHE 303 Ca -0.01 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 3a15 h PHE 303 Cb 1.17 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 3a15 h PHE 303 CO 0.01 -0.09 -0.43 0.00 -2.23 0.00 0.00 178.31 175.57 3a15 h THR 304 N 0.03 1.31 -0.47 4.41 1.03 -1.16 -2.33 112.91 115.73 3a15 h THR 304 Ca 0.14 -1.61 0.02 0.00 -0.01 0.00 0.00 66.41 64.95 3a15 h THR 304 Cb 0.20 1.60 -0.03 0.00 -1.07 0.00 0.00 68.15 68.85 3a15 h THR 304 CO -0.27 0.51 0.28 0.74 -0.01 0.00 0.00 175.52 176.77 3a15 h THR 305 N 0.44 1.05 -0.29 0.00 2.02 -1.09 -2.09 112.91 112.97 3a15 h THR 305 Ca 0.03 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.03 3a15 h THR 305 Cb 0.94 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3a15 h THR 305 CO 0.08 0.10 0.16 0.15 0.37 0.00 0.00 175.52 176.39 3a15 h PHE 306 N 0.57 0.30 -0.93 3.16 3.57 -0.80 -1.33 116.94 121.48 3a15 h PHE 306 Ca 0.19 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.84 3a15 h PHE 306 Cb 0.01 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.58 3a15 h PHE 306 CO -0.07 0.18 0.59 0.74 -2.23 0.00 0.00 178.31 177.52 3a15 h PHE 307 N 0.33 0.93 -0.41 0.41 -1.00 -1.18 0.40 116.94 116.42 3a15 h PHE 307 Ca 0.11 0.03 -0.15 0.00 2.81 0.00 0.00 57.97 60.77 3a15 h PHE 307 Cb 0.01 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.27 3a15 h PHE 307 CO -0.08 0.34 -0.32 -0.09 -1.61 0.00 0.00 178.31 176.55 3a15 h ARG 308 N 0.78 0.94 -0.00 1.51 2.43 -0.62 -3.29 114.38 116.14 3a15 h ARG 308 Ca 0.47 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a15 h ARG 308 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3a15 h ARG 308 CO -0.23 1.13 -0.68 1.33 -1.51 0.00 0.00 179.97 180.01 3a15 n VAL 309 N -4.09 0.00 -0.26 0.20 0.24 -0.59 -4.43 118.33 109.39 3a15 n VAL 309 Ca -0.02 -0.05 0.07 0.00 -2.04 0.00 0.00 64.34 62.31 3a15 n VAL 309 Cb 0.51 0.71 0.20 0.00 -1.47 0.00 0.00 33.84 33.79 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 3.19 0.98 -0.58 2.33 0.00 -0.99 -1.75 119.26 122.44 3a15 h ALA 310 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3a15 h ALA 310 Cb 0.53 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3a15 h ALA 310 CO 0.00 -0.39 0.34 0.00 0.00 0.00 0.00 179.25 179.20 3a15 h ALA 311 N 1.67 0.75 -0.01 0.00 0.00 -1.81 -3.10 119.26 116.75 3a15 h ALA 311 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3a15 h ALA 311 Cb 0.80 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3a15 h ALA 311 CO -0.58 0.04 -0.11 0.41 0.00 0.00 0.00 179.25 179.02 3a15 n GLY 312 N -1.26 -0.06 3.72 0.00 0.00 -0.73 -4.97 105.19 101.89 3a15 n GLY 312 Ca 0.05 -0.48 -0.42 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 -2.18 4.37 -0.02 0.99 1.43 -0.76 -4.92 118.68 117.60 3a15 s LEU 313 Ca 0.31 2.64 -0.01 0.00 -1.03 0.00 0.00 54.13 56.05 3a15 s LEU 313 Cb 0.20 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 3a15 s LEU 313 CO 0.40 -0.84 -0.02 -1.54 0.23 0.00 0.00 176.35 174.58 3a15 n SER 314 N 3.97 1.12 0.00 2.29 3.41 -1.26 -4.95 113.62 118.19 3a15 n SER 314 Ca 0.14 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 3a15 n SER 314 Cb 0.38 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.93 3.39 -2.06 4.33 5.02 -1.26 -5.02 118.16 119.61 3a15 n LYS 315 Ca -0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 3a15 n LYS 315 Cb 0.52 -0.57 -0.03 0.00 -0.02 0.00 0.00 35.03 34.94 3a15 n LYS 315 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3a15 s LEU 316 N -1.63 4.35 -0.21 -0.35 2.96 -1.26 -4.59 118.68 117.96 3a15 s LEU 316 Ca 0.00 2.37 -0.02 0.00 -0.22 0.00 0.00 54.13 56.26 3a15 s LEU 316 Cb 0.00 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.12 3a15 s LEU 316 CO 0.00 -0.77 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.03 3a15 s ARG 317 N 1.94 3.23 0.01 1.98 0.52 -0.48 -4.99 118.95 121.15 3a15 s ARG 317 Ca 0.68 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 55.24 3a15 s ARG 317 Cb -0.38 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 3a15 s ARG 317 CO 0.30 -0.21 -0.15 -0.51 0.02 0.00 0.00 175.30 174.75 3a15 s LEU 318 N 1.41 2.09 0.12 2.53 1.43 -1.26 -0.60 118.68 124.39 3a15 s LEU 318 Ca 0.05 -0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 52.54 3a15 s LEU 318 Cb -0.14 -0.74 0.07 0.00 0.03 0.00 0.00 46.19 45.42 3a15 s LEU 318 CO -0.07 0.13 0.82 -0.72 0.23 0.00 0.00 176.35 176.74 3a15 s TYR 319 N -0.56 -0.31 0.14 0.29 1.13 -1.06 -1.40 117.35 115.58 3a15 s TYR 319 Ca 0.05 0.06 -0.08 0.00 -1.41 0.00 0.00 57.07 55.69 3a15 s TYR 319 Cb -0.07 0.60 -0.01 0.00 -1.10 0.00 0.00 41.96 41.38 3a15 s TYR 319 CO 0.00 -0.79 0.24 -3.38 -2.51 0.00 0.00 175.55 169.11 3a15 s HIS 320 N -3.43 0.35 -0.02 -3.49 -3.43 0.02 -0.69 115.29 104.61 3a15 s HIS 320 Ca 0.07 -0.74 0.02 0.00 -0.80 0.00 0.00 55.06 53.61 3a15 s HIS 320 Cb -0.02 -0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.05 3a15 s HIS 320 CO -0.05 -0.65 -0.06 -1.83 -2.00 0.00 0.00 174.74 170.15 3a15 s GLU 321 N -3.94 0.64 -0.01 -0.38 -1.05 0.42 -1.09 118.70 113.30 3a15 s GLU 321 Ca 0.14 -0.21 0.03 0.00 -0.15 0.00 0.00 54.97 54.77 3a15 s GLU 321 Cb 0.04 -0.63 -0.01 0.00 -0.44 0.00 0.00 34.13 33.09 3a15 s GLU 321 CO -0.03 0.09 -0.09 0.08 0.95 0.00 0.00 175.26 176.25 3a15 s VAL 322 N 0.12 0.72 0.04 1.83 1.01 -0.32 -0.82 120.40 122.99 3a15 s VAL 322 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3a15 s VAL 322 Cb -0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 3a15 s VAL 322 CO -0.00 0.20 -0.04 -0.44 0.00 0.00 0.00 175.10 174.81 3a15 s SER 323 N -0.24 0.55 0.20 3.32 0.01 -0.39 -0.93 113.70 116.23 3a15 s SER 323 Ca 0.03 -0.70 0.08 0.00 1.31 0.00 0.00 55.95 56.67 3a15 s SER 323 Cb -0.04 0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.26 3a15 s SER 323 CO -0.00 -0.38 -0.15 0.68 0.41 0.00 0.00 173.24 173.80 3a15 s VAL 324 N -2.35 1.79 -0.01 3.43 -7.23 -0.07 -0.83 120.40 115.12 3a15 s VAL 324 Ca -0.05 -2.17 -0.07 0.00 -1.81 0.00 0.00 61.98 57.88 3a15 s VAL 324 Cb -0.03 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.89 3a15 s VAL 324 CO -0.03 -0.54 0.14 -0.36 -0.31 0.00 0.00 175.10 174.00 3a15 s PHE 325 N -2.79 -0.00 0.75 2.82 0.08 -1.12 -4.55 117.98 113.18 3a15 s PHE 325 Ca 0.22 -0.02 -0.14 0.00 0.12 0.00 0.00 56.93 57.11 3a15 s PHE 325 Cb -0.02 -0.03 0.05 0.00 -0.57 0.00 0.00 43.02 42.46 3a15 s PHE 325 CO 0.07 -0.24 1.18 -0.51 -0.10 0.00 0.00 175.22 175.62 3a15 s ASP 326 N -1.06 4.13 0.22 1.36 1.01 -1.26 -0.46 116.67 120.61 3a15 s ASP 326 Ca -0.12 2.26 -0.09 0.00 0.71 0.00 0.00 52.55 55.32 3a15 s ASP 326 Cb -0.06 -2.58 0.34 0.00 1.01 0.00 0.00 42.92 41.63 3a15 s ASP 326 CO 0.01 -2.30 1.68 0.00 0.21 0.00 0.00 175.17 174.77 3a15 h ALA 327 N -0.54 0.74 0.00 5.23 0.00 -1.85 -2.08 119.26 120.76 3a15 h ALA 327 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3a15 h ALA 327 Cb 1.28 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3a15 h ALA 327 CO 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.39 3a15 h ALA 328 N 1.55 1.00 -0.70 0.00 0.00 -1.92 -3.08 119.26 116.11 3a15 h ALA 328 Ca 0.35 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.97 3a15 h ALA 328 Cb 0.56 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.18 3a15 h ALA 328 CO -0.49 0.00 0.37 -0.25 0.00 0.00 0.00 179.25 178.88 3a15 n ASP 329 N -2.92 3.99 -3.78 0.00 8.00 -0.78 -4.86 116.55 116.20 3a15 n ASP 329 Ca 0.00 -3.13 -0.14 0.00 0.71 0.00 0.00 54.79 52.23 3a15 n ASP 329 Cb 0.24 -0.74 -0.15 0.00 -0.02 0.00 0.00 41.12 40.45 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 -2.59 -0.01 -0.08 -1.24 -0.21 -1.16 -0.81 119.66 113.56 3a15 s GLN 330 Ca 0.45 0.19 -0.01 0.00 0.02 0.00 0.00 55.36 56.02 3a15 s GLN 330 Cb 0.37 -0.19 0.03 0.00 1.00 0.00 0.00 33.01 34.21 3a15 s GLN 330 CO 0.10 -0.14 -0.03 -1.17 -2.12 0.00 0.00 175.29 171.93 3a15 s LEU 331 N 0.91 0.92 -0.28 2.90 2.96 -0.15 -4.34 118.68 121.61 3a15 s LEU 331 Ca -0.07 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3a15 s LEU 331 Cb -0.11 -0.57 0.08 0.00 0.50 0.00 0.00 46.19 46.09 3a15 s LEU 331 CO -0.03 -0.14 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.53 3a15 s TYR 332 N 1.67 2.97 -0.04 5.38 2.02 -1.09 -0.95 117.35 127.31 3a15 s TYR 332 Ca 0.01 -2.28 0.06 0.00 -0.37 0.00 0.00 57.07 54.50 3a15 s TYR 332 Cb -0.13 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 3a15 s TYR 332 CO -0.05 -0.87 -0.22 -1.21 -1.57 0.00 0.00 175.55 171.64 3a15 s GLU 333 N 1.19 2.31 0.01 -0.62 2.02 0.49 -0.84 118.70 123.27 3a15 s GLU 333 Ca -0.00 -0.85 0.04 0.00 0.02 0.00 0.00 54.97 54.18 3a15 s GLU 333 Cb -0.19 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 3a15 s GLU 333 CO -0.08 0.55 -0.13 0.71 0.02 0.00 0.00 175.26 176.33 3a15 s TYR 334 N -0.58 1.11 -0.16 1.61 2.02 0.55 -0.93 117.35 120.97 3a15 s TYR 334 Ca 0.09 -0.28 -0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3a15 s TYR 334 Cb -0.11 -0.69 0.04 0.00 -0.40 0.00 0.00 41.96 40.80 3a15 s TYR 334 CO 0.00 0.00 -0.07 0.42 -1.57 0.00 0.00 175.55 174.34 3a15 s ILE 335 N -0.56 1.18 -1.51 2.71 1.01 0.89 -0.97 121.20 123.95 3a15 s ILE 335 Ca 0.03 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 3a15 s ILE 335 Cb -0.06 -1.31 0.07 0.00 0.01 0.00 0.00 42.46 41.17 3a15 s ILE 335 CO 0.00 0.19 0.83 0.59 0.00 0.00 0.00 174.94 176.56 3a15 n ASN 336 N 4.86 -3.36 -4.93 3.58 3.02 -0.14 -0.91 115.26 117.37 3a15 n ASN 336 Ca -0.13 -0.85 -0.27 0.00 -0.03 0.00 0.00 54.58 53.30 3a15 n ASN 336 Cb 0.48 -3.64 -0.03 0.00 -0.61 0.00 0.00 39.78 35.98 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 -1.80 2.80 -0.99 0.00 -3.43 -1.26 -4.60 115.29 106.02 3a15 s HIS 338 Ca 0.37 1.52 0.06 0.00 -0.80 0.00 0.00 55.06 56.21 3a15 s HIS 338 Cb -0.11 -3.06 0.24 0.00 -1.43 0.00 0.00 32.58 28.22 3a15 s HIS 338 CO 0.29 -1.45 1.18 -2.30 -2.00 0.00 0.00 174.74 170.46 3a15 n PRO 339 N -2.52 0.00 -0.04 -0.38 -0.02 -1.26 -1.42 135.00 129.36 3a15 n PRO 339 Ca 0.09 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3a15 n PRO 339 Cb 0.53 -1.51 0.36 0.00 -0.02 0.00 0.00 33.50 32.85 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 -0.95 0.49 3.68 -1.23 0.00 -1.26 -3.07 105.19 102.86 3a15 n GLY 340 Ca 0.01 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.89 4.14 0.00 2.61 2.01 -0.51 -4.47 115.64 117.53 3a15 s THR 341 Ca 0.34 1.46 0.00 0.00 0.31 0.00 0.00 61.69 63.80 3a15 s THR 341 Cb 0.20 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.77 3a15 s THR 341 CO 0.31 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 3a15 n GLY 342 N 3.50 3.25 0.08 4.40 0.00 -1.26 -1.15 105.19 114.01 3a15 n GLY 342 Ca 0.12 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 1.00 0.04 1.61 0.00 -1.26 -3.32 117.12 129.18 3a15 n MET 343 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 57.70 57.53 3a15 n MET 343 Cb 0.00 -1.50 0.30 0.00 0.00 0.00 0.00 33.22 32.03 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 0.41 0.41 -0.24 4.03 3.38 -1.41 -3.13 115.31 118.77 3a15 h LEU 344 Ca 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3a15 h LEU 344 Cb 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3a15 h LEU 344 CO 0.00 0.55 0.08 -0.09 0.09 0.00 0.00 178.44 179.06 3a15 h ARG 345 N 0.41 0.37 -0.04 1.13 2.43 -1.53 -3.22 114.38 113.92 3a15 h ARG 345 Ca 0.08 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3a15 h ARG 345 Cb 0.41 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3a15 h ARG 345 CO 0.02 0.44 0.00 -0.25 -1.51 0.00 0.00 179.97 178.67 3a15 n ASP 346 N -4.77 2.82 -4.77 -3.80 8.00 -1.25 -4.98 116.55 107.81 3a15 n ASP 346 Ca -0.03 -1.91 -0.41 0.00 0.71 0.00 0.00 54.79 53.15 3a15 n ASP 346 Cb 0.15 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.80 3.54 -0.14 2.24 0.00 -1.18 -4.86 121.76 119.56 3a15 s ALA 347 Ca 0.26 1.33 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 3a15 s ALA 347 Cb 0.18 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 3a15 s ALA 347 CO 0.27 -0.74 1.13 0.08 0.00 0.00 0.00 175.76 176.50 3a15 s VAL 348 N -0.90 4.49 0.89 0.00 1.01 0.11 -4.83 120.40 121.17 3a15 s VAL 348 Ca 0.52 1.80 -0.10 0.00 0.00 0.00 0.00 61.98 64.19 3a15 s VAL 348 Cb -0.41 -4.16 0.13 0.00 0.00 0.00 0.00 36.38 31.94 3a15 s VAL 348 CO 0.53 -0.08 1.13 0.42 0.00 0.00 0.00 175.10 177.10 3a15 s THR 349 N 2.71 2.33 0.60 3.92 -4.23 -1.24 -0.87 115.64 118.87 3a15 s THR 349 Ca 0.51 0.11 0.29 0.00 -1.18 0.00 0.00 61.69 61.41 3a15 s THR 349 Cb -0.20 -2.23 0.37 0.00 1.34 0.00 0.00 72.50 71.78 3a15 s THR 349 CO 0.15 -0.14 1.89 -0.29 -0.54 0.00 0.00 174.62 175.70 3a15 h ILE 350 N -1.74 0.33 -1.89 2.99 2.10 -1.86 0.68 117.51 118.12 3a15 h ILE 350 Ca -0.44 0.00 -0.53 0.00 1.08 0.00 0.00 64.86 64.98 3a15 h ILE 350 Cb 1.26 0.62 -0.41 0.00 -1.09 0.00 0.00 36.82 37.20 3a15 h ILE 350 CO 0.44 0.00 -0.90 0.00 -1.08 0.00 0.00 178.15 176.61 3a15 n ALA 351 N -2.30 3.80 -0.06 0.18 0.00 -1.26 -5.01 120.51 115.86 3a15 n ALA 351 Ca 0.07 -4.04 0.00 0.00 0.00 0.00 0.00 53.44 49.47 3a15 n ALA 351 Cb 0.65 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3a15 n ALA 351 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89