#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s08 s THR 2 N 0.00 2.19 -0.09 2.03 -4.23 -1.26 -4.99 115.64 109.29 1s08 s THR 2 Ca 0.00 -0.38 0.23 0.00 -1.18 0.00 0.00 61.69 60.36 1s08 s THR 2 Cb 0.00 -2.82 0.23 0.00 1.34 0.00 0.00 72.50 71.26 1s08 s THR 2 CO 0.00 0.00 1.69 0.71 -0.54 0.00 0.00 174.62 176.48 1s08 h THR 3 N -0.74 0.43 -0.22 3.99 1.35 -2.06 -2.64 112.91 113.02 1s08 h THR 3 Ca -0.41 -1.31 -0.10 0.00 -0.55 0.00 0.00 66.41 64.04 1s08 h THR 3 Cb 1.28 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 1s08 h THR 3 CO 0.47 0.21 -0.30 -0.78 -0.25 0.00 0.00 175.52 174.86 1s08 h ASP 4 N 0.00 0.44 -0.41 5.36 3.58 -1.99 -1.44 116.42 121.97 1s08 h ASP 4 Ca -0.00 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 1s08 h ASP 4 Cb 0.95 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 1s08 h ASP 4 CO 0.03 0.73 0.22 0.44 -2.88 0.00 0.00 179.24 177.78 1s08 h ASP 5 N 0.38 0.51 0.15 2.28 3.32 -1.86 -2.02 116.42 119.17 1s08 h ASP 5 Ca 0.05 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1s08 h ASP 5 Cb 0.72 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1s08 h ASP 5 CO 0.06 0.45 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.65 1s08 h LEU 6 N 0.52 0.25 -0.63 1.55 3.38 -1.27 -2.61 115.31 116.50 1s08 h LEU 6 Ca 0.14 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1s08 h LEU 6 Cb 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1s08 h LEU 6 CO -0.02 0.56 -0.46 0.00 0.09 0.00 0.00 178.44 178.61 1s08 h ALA 7 N 1.46 0.81 -0.51 1.53 0.00 -1.05 -2.76 119.26 118.74 1s08 h ALA 7 Ca 0.03 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1s08 h ALA 7 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1s08 h ALA 7 CO 0.05 0.66 0.13 0.35 0.00 0.00 0.00 179.25 180.44 1s08 h PHE 8 N 0.43 0.85 -0.29 0.00 3.57 -1.01 -2.62 116.94 117.88 1s08 h PHE 8 Ca 0.03 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.47 1s08 h PHE 8 Cb 0.97 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1s08 h PHE 8 CO 0.04 0.75 0.06 0.22 -2.23 0.00 0.00 178.31 177.15 1s08 h ASP 9 N 0.71 0.02 -0.73 0.41 1.82 -1.39 0.84 116.42 118.10 1s08 h ASP 9 Ca 0.16 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.82 1s08 h ASP 9 Cb 0.33 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.36 1s08 h ASP 9 CO 0.00 0.05 0.37 -0.61 -1.61 0.00 0.00 179.24 177.44 1s08 h GLN 10 N 0.17 1.03 0.00 0.28 4.15 -1.43 -0.58 115.11 118.73 1s08 h GLN 10 Ca 0.13 -0.14 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 1s08 h GLN 10 Cb 0.13 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1s08 h GLN 10 CO -0.17 0.80 -0.75 -0.09 -1.93 0.00 0.00 178.83 176.69 1s08 h ARG 11 N 1.01 0.00 0.00 1.69 9.65 -1.19 -3.41 114.38 122.14 1s08 h ARG 11 Ca 0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1s08 h ARG 11 Cb 0.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1s08 h ARG 11 CO -0.04 0.75 -0.35 0.72 2.80 0.00 0.00 179.97 183.85 1s08 n HIS 12 N -3.36 0.00 -3.85 2.20 8.25 0.26 -5.03 115.22 113.69 1s08 n HIS 12 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 1s08 n HIS 12 Cb 0.81 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.78 1s08 n HIS 12 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1s08 s ILE 13 N -1.09 3.46 0.36 1.59 1.01 -0.23 -5.04 121.20 121.25 1s08 s ILE 13 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 1s08 s ILE 13 Cb 0.00 -2.77 -0.09 0.00 0.01 0.00 0.00 42.46 39.61 1s08 s ILE 13 CO 0.00 0.13 1.11 -0.76 0.00 0.00 0.00 174.94 175.43 1s08 s LEU 14 N 1.42 4.30 0.24 2.97 1.02 -1.26 -4.74 118.68 122.62 1s08 s LEU 14 Ca 0.01 2.23 0.10 0.00 0.02 0.00 0.00 54.13 56.50 1s08 s LEU 14 Cb -0.17 -3.93 -0.05 0.00 0.02 0.00 0.00 46.19 42.06 1s08 s LEU 14 CO -0.01 -0.44 -0.18 -1.00 0.02 0.00 0.00 176.35 174.74 1s08 s HIS 15 N -1.40 2.06 0.30 0.29 3.76 -1.26 -5.10 115.29 113.93 1s08 s HIS 15 Ca 0.53 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.72 1s08 s HIS 15 Cb -0.29 -0.93 -0.13 0.00 1.11 0.00 0.00 32.58 32.34 1s08 s HIS 15 CO 0.36 0.55 1.27 -2.30 -0.85 0.00 0.00 174.74 173.77 1s08 n PRO 16 N -0.39 1.94 -3.99 8.40 -0.02 -1.26 -3.39 135.00 136.29 1s08 n PRO 16 Ca -0.07 0.68 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 1s08 n PRO 16 Cb 0.60 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.84 1s08 n PRO 16 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1s08 n TYR 17 N 0.79 -1.30 -3.62 6.00 4.01 -1.26 -4.99 117.16 116.80 1s08 n TYR 17 Ca 0.08 0.15 -0.13 0.00 -0.16 0.00 0.00 57.90 57.84 1s08 n TYR 17 Cb 0.34 -2.43 -0.07 0.00 -0.31 0.00 0.00 39.34 36.87 1s08 n TYR 17 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1s08 s THR 18 N -3.57 0.00 0.59 -0.72 -1.32 -1.22 -5.17 115.64 104.24 1s08 s THR 18 Ca 0.37 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.66 1s08 s THR 18 Cb -0.21 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 1s08 s THR 18 CO 0.85 0.00 1.22 -0.55 -2.21 0.00 0.00 174.62 173.93 1s08 s SER 19 N 0.16 5.18 0.00 8.08 0.15 -1.26 -4.66 113.70 121.34 1s08 s SER 19 Ca -0.00 2.41 0.25 0.00 0.70 0.00 0.00 55.95 59.31 1s08 s SER 19 Cb -0.04 -2.60 0.49 0.00 -1.71 0.00 0.00 66.02 62.15 1s08 s SER 19 CO 0.00 -1.60 1.42 0.23 1.20 0.00 0.00 173.24 174.48 1s08 n MET 20 N -1.57 1.75 -0.00 5.44 2.81 -1.26 -3.43 117.12 120.86 1s08 n MET 20 Ca 0.14 -1.30 0.03 0.00 -1.81 0.00 0.00 57.70 54.76 1s08 n MET 20 Cb 0.49 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.49 1s08 n MET 20 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1s08 n THR 21 N 0.51 0.00 -2.83 2.03 -2.24 -1.26 -4.75 114.28 105.74 1s08 n THR 21 Ca 0.14 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1s08 n THR 21 Cb 0.47 0.69 0.04 0.00 -2.10 0.00 0.00 70.33 69.44 1s08 n THR 21 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1s08 n SER 22 N -1.42 -0.15 -4.77 3.42 2.88 -1.25 -5.12 113.62 107.20 1s08 n SER 22 Ca 0.00 -2.93 -0.38 0.00 -1.33 0.00 0.00 58.87 54.23 1s08 n SER 22 Cb 0.13 0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.81 1s08 n SER 22 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1s08 s PRO 23 N -1.59 4.03 0.54 -1.46 0.04 -1.22 -4.66 135.00 130.68 1s08 s PRO 23 Ca 0.29 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.12 1s08 s PRO 23 Cb 0.38 -2.61 0.04 0.00 0.04 0.00 0.00 34.50 32.35 1s08 s PRO 23 CO -0.04 -0.32 0.75 -0.51 0.04 0.00 0.00 177.00 176.92 1s08 s LEU 24 N -2.60 3.32 0.58 -3.56 1.43 -1.26 -5.02 118.68 111.56 1s08 s LEU 24 Ca 0.58 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.33 1s08 s LEU 24 Cb -0.29 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 1s08 s LEU 24 CO 0.36 -1.14 1.03 -2.65 0.23 0.00 0.00 176.35 174.18 1s08 n PRO 25 N -2.28 1.03 -4.32 1.29 -0.02 -1.26 -5.01 135.00 124.43 1s08 n PRO 25 Ca 0.09 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 61.74 1s08 n PRO 25 Cb 0.60 -2.22 -0.13 0.00 -0.02 0.00 0.00 33.50 31.73 1s08 n PRO 25 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1s08 s VAL 26 N -1.46 1.54 -0.18 -1.45 -7.23 -1.26 -5.08 120.40 105.28 1s08 s VAL 26 Ca 0.75 -1.40 -0.08 0.00 -1.81 0.00 0.00 61.98 59.43 1s08 s VAL 26 Cb -0.43 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1s08 s VAL 26 CO 0.48 -0.05 0.09 -0.31 -0.31 0.00 0.00 175.10 175.00 1s08 s TYR 27 N -1.11 3.32 -0.27 2.82 1.51 -1.26 -5.07 117.35 117.30 1s08 s TYR 27 Ca 0.04 0.19 -0.29 0.00 -1.01 0.00 0.00 57.07 56.00 1s08 s TYR 27 Cb -0.10 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.67 1s08 s TYR 27 CO 0.03 0.24 1.19 -1.25 -1.11 0.00 0.00 175.55 174.66 1s08 s PRO 28 N 0.26 4.07 -0.09 -1.71 0.04 -1.26 -5.04 135.00 131.28 1s08 s PRO 28 Ca 0.06 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 1s08 s PRO 28 Cb -0.12 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 1s08 s PRO 28 CO -0.00 -0.91 0.08 0.08 0.04 0.00 0.00 177.00 176.28 1s08 s VAL 29 N 3.84 4.92 -0.06 -0.36 1.01 -1.26 -1.35 120.40 127.13 1s08 s VAL 29 Ca 0.51 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.52 1s08 s VAL 29 Cb -0.16 -3.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.95 1s08 s VAL 29 CO 0.17 0.57 0.11 1.33 0.00 0.00 0.00 175.10 177.29 1s08 n VAL 30 N 1.92 0.37 -3.83 2.92 0.24 0.18 -4.81 118.33 115.32 1s08 n VAL 30 Ca -0.18 -0.33 -0.06 0.00 -2.04 0.00 0.00 64.34 61.73 1s08 n VAL 30 Cb 0.54 -0.31 0.02 0.00 -1.47 0.00 0.00 33.84 32.62 1s08 n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1s08 n SER 31 N -2.14 -1.97 -3.54 -1.34 3.41 -1.20 -5.04 113.62 101.80 1s08 n SER 31 Ca -0.10 -2.22 -0.17 0.00 -0.26 0.00 0.00 58.87 56.12 1s08 n SER 31 Cb 0.57 3.24 -0.06 0.00 -0.26 0.00 0.00 64.21 67.71 1s08 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s08 s ALA 32 N -2.03 -1.78 -0.13 7.33 0.00 -1.26 -0.99 121.76 122.90 1s08 s ALA 32 Ca 0.19 1.45 -0.20 0.00 0.00 0.00 0.00 51.96 53.39 1s08 s ALA 32 Cb -0.04 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.91 1s08 s ALA 32 CO 0.08 -0.36 0.52 -1.83 0.00 0.00 0.00 175.76 174.17 1s08 s GLU 33 N -0.91 0.72 4.21 0.00 -1.05 -0.74 -4.25 118.70 116.67 1s08 s GLU 33 Ca -0.09 0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.18 1s08 s GLU 33 Cb -0.01 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1s08 s GLU 33 CO 0.08 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.55 1s08 n GLY 34 N 2.09 3.26 1.43 -3.83 0.00 -0.42 -0.91 105.19 106.81 1s08 n GLY 34 Ca -0.16 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1s08 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s08 s GLU 36 N -2.78 2.12 -0.13 0.00 2.02 -0.08 -1.14 118.70 118.71 1s08 s GLU 36 Ca 0.49 -0.92 -0.05 0.00 0.02 0.00 0.00 54.97 54.51 1s08 s GLU 36 Cb 0.38 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 32.49 1s08 s GLU 36 CO 0.13 0.56 0.06 -0.51 0.02 0.00 0.00 175.26 175.52 1s08 s LEU 37 N -0.74 3.87 -0.25 1.80 1.43 0.62 -1.79 118.68 123.62 1s08 s LEU 37 Ca 0.11 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.34 1s08 s LEU 37 Cb -0.10 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 1s08 s LEU 37 CO -0.00 0.31 0.06 -0.63 0.23 0.00 0.00 176.35 176.32 1s08 s ILE 38 N -0.46 4.20 0.58 -0.59 1.01 -0.16 -0.00 121.20 125.76 1s08 s ILE 38 Ca 0.10 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 1s08 s ILE 38 Cb -0.12 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1s08 s ILE 38 CO 0.02 0.35 0.93 -0.76 0.00 0.00 0.00 174.94 175.48 1s08 s LEU 39 N 1.60 3.33 0.31 2.97 1.43 0.37 -0.64 118.68 128.04 1s08 s LEU 39 Ca 0.06 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 54.33 1s08 s LEU 39 Cb -0.15 -4.03 0.86 0.00 0.03 0.00 0.00 46.19 42.90 1s08 s LEU 39 CO 0.03 -0.86 1.68 0.28 0.23 0.00 0.00 176.35 177.71 1s08 h SER 40 N -0.15 0.37 -0.00 2.29 0.02 -1.53 -0.40 113.55 114.15 1s08 h SER 40 Ca -0.45 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1s08 h SER 40 Cb 1.21 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1s08 h SER 40 CO 0.62 -0.06 0.00 -0.90 -1.14 0.00 0.00 176.83 175.35 1s08 n ASP 41 N -5.06 0.09 0.00 3.07 5.68 -1.26 -4.89 116.55 114.18 1s08 n ASP 41 Ca 0.26 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 1s08 n ASP 41 Cb 0.78 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 1s08 n ASP 41 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s08 n GLY 42 N 0.95 2.65 3.74 6.12 0.00 -0.16 -5.06 105.19 113.44 1s08 n GLY 42 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1s08 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s08 s ARG 43 N -0.91 4.17 -0.19 1.61 0.52 -1.26 -4.71 118.95 118.18 1s08 s ARG 43 Ca 0.00 2.48 -0.09 0.00 -0.52 0.00 0.00 55.73 57.61 1s08 s ARG 43 Cb 0.00 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 1s08 s ARG 43 CO 0.00 -0.59 0.10 1.03 0.02 0.00 0.00 175.30 175.86 1s08 s ARG 44 N -0.09 4.08 -0.09 3.54 0.52 -1.26 -0.48 118.95 125.17 1s08 s ARG 44 Ca 0.64 -0.28 0.04 0.00 -0.52 0.00 0.00 55.73 55.61 1s08 s ARG 44 Cb -0.46 -3.32 -0.00 0.00 0.52 0.00 0.00 34.95 31.69 1s08 s ARG 44 CO 0.43 0.28 -0.23 -0.51 0.02 0.00 0.00 175.30 175.28 1s08 s LEU 45 N 0.39 2.06 0.02 2.53 1.43 1.00 -4.80 118.68 121.31 1s08 s LEU 45 Ca 0.05 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 1s08 s LEU 45 Cb -0.12 -1.37 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 1s08 s LEU 45 CO -0.01 0.16 1.50 -0.69 0.23 0.00 0.00 176.35 177.55 1s08 s VAL 46 N 0.29 3.45 -0.20 -1.59 1.01 -0.49 -0.28 120.40 122.60 1s08 s VAL 46 Ca -0.17 0.85 -0.24 0.00 0.00 0.00 0.00 61.98 62.42 1s08 s VAL 46 Cb -0.17 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1s08 s VAL 46 CO 0.08 -0.00 0.79 -0.62 0.00 0.00 0.00 175.10 175.35 1s08 s ASP 47 N 2.12 6.87 0.00 3.32 2.15 -0.29 0.41 116.67 131.25 1s08 s ASP 47 Ca 0.68 1.07 0.19 0.00 0.43 0.00 0.00 52.55 54.92 1s08 s ASP 47 Cb -0.35 -2.43 0.22 0.00 -0.30 0.00 0.00 42.92 40.06 1s08 s ASP 47 CO 0.29 -0.41 1.17 0.61 -0.17 0.00 0.00 175.17 176.66 1s08 n GLY 48 N 3.61 0.87 0.00 2.66 0.00 0.03 -4.57 105.19 107.79 1s08 n GLY 48 Ca 0.04 -0.58 0.04 0.00 0.00 0.00 0.00 46.02 45.52 1s08 n GLY 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s08 n MET 49 N 1.13 3.17 -3.11 1.61 2.81 -1.25 -0.33 117.12 121.14 1s08 n MET 49 Ca 0.13 -0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.78 1s08 n MET 49 Cb 0.50 -0.96 0.02 0.00 -0.71 0.00 0.00 33.22 32.06 1s08 n MET 49 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1s08 n SER 50 N -1.36 -4.97 -4.02 7.83 7.64 -1.18 -1.18 113.62 116.39 1s08 n SER 50 Ca 0.01 -0.29 -0.27 0.00 1.01 0.00 0.00 58.87 59.33 1s08 n SER 50 Cb 0.15 -4.06 -0.03 0.00 -1.01 0.00 0.00 64.21 59.26 1s08 n SER 50 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1s08 n SER 51 N -2.37 -0.52 -2.43 6.43 7.64 -1.26 -1.25 113.62 119.86 1s08 n SER 51 Ca -0.08 -1.03 -0.00 0.00 1.01 0.00 0.00 58.87 58.77 1s08 n SER 51 Cb 0.59 -2.89 0.00 0.00 -1.01 0.00 0.00 64.21 60.90 1s08 n SER 51 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1s08 n TRP 52 N -4.42 -1.80 0.00 1.43 8.01 -0.32 -4.25 117.44 116.08 1s08 n TRP 52 Ca -0.27 0.69 0.00 0.00 -1.31 0.00 0.00 57.50 56.61 1s08 n TRP 52 Cb 0.67 -3.07 0.00 0.00 -2.01 0.00 0.00 31.31 26.90 1s08 n TRP 52 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 1s08 n TRP 53 N -1.42 0.00 -0.20 -5.99 7.02 -0.96 -4.85 117.44 111.05 1s08 n TRP 53 Ca 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.44 1s08 n TRP 53 Cb 0.49 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.44 1s08 n TRP 53 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s08 h ALA 54 N 0.00 0.75 -0.62 6.99 0.00 -1.63 -3.38 119.26 121.37 1s08 h ALA 54 Ca 0.00 -0.01 -0.74 0.00 0.00 0.00 0.00 54.91 54.17 1s08 h ALA 54 Cb 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 17.79 17.52 1s08 h ALA 54 CO 0.00 0.06 2.47 0.00 0.00 0.00 0.00 179.25 181.77 1s08 n ALA 55 N -2.30 5.93 0.24 0.00 0.00 -0.38 -2.02 120.51 121.97 1s08 n ALA 55 Ca 0.05 -4.12 0.11 0.00 0.00 0.00 0.00 53.44 49.48 1s08 n ALA 55 Cb 0.10 -3.06 0.57 0.00 0.00 0.00 0.00 19.45 17.06 1s08 n ALA 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1s08 h ILE 56 N 3.45 0.60 -0.55 0.00 3.07 -1.75 -1.57 117.51 120.77 1s08 h ILE 56 Ca 0.54 -0.88 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1s08 h ILE 56 Cb 0.52 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1s08 h ILE 56 CO 1.65 0.19 0.00 1.41 -1.05 0.00 0.00 178.15 180.35 1s08 n HIS 57 N -3.53 1.34 -4.16 0.16 8.25 -1.26 -0.80 115.22 115.22 1s08 n HIS 57 Ca -0.01 -0.65 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 1s08 n HIS 57 Cb 0.35 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1s08 n HIS 57 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s08 n GLY 58 N 0.75 0.17 3.27 -1.41 0.00 -0.59 -4.75 105.19 102.63 1s08 n GLY 58 Ca 0.24 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 1s08 n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s08 s TYR 59 N 0.00 1.56 -1.48 1.61 1.51 -0.16 -4.77 117.35 115.61 1s08 s TYR 59 Ca 0.00 -0.50 -0.05 0.00 -1.01 0.00 0.00 57.07 55.51 1s08 s TYR 59 Cb 0.00 -0.81 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1s08 s TYR 59 CO 0.00 0.20 0.53 0.09 -1.11 0.00 0.00 175.55 175.26 1s08 n ASN 60 N 0.61 -1.25 -4.72 2.29 3.02 -1.26 -1.30 115.26 112.64 1s08 n ASN 60 Ca -0.16 -1.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.98 1s08 n ASN 60 Cb 0.56 -3.02 -0.03 0.00 -0.61 0.00 0.00 39.78 36.68 1s08 n ASN 60 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1s08 s HIS 61 N -3.77 3.59 0.33 3.10 5.65 -1.26 -4.64 115.29 118.29 1s08 s HIS 61 Ca 0.21 1.56 0.04 0.00 0.25 0.00 0.00 55.06 57.12 1s08 s HIS 61 Cb -0.11 -3.25 0.64 0.00 -1.18 0.00 0.00 32.58 28.68 1s08 s HIS 61 CO 0.90 -0.54 1.91 -1.00 -0.65 0.00 0.00 174.74 175.36 1s08 h PRO 62 N 6.25 0.86 -0.05 2.88 0.13 -1.97 -0.37 132.00 139.75 1s08 h PRO 62 Ca -0.42 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1s08 h PRO 62 Cb 1.21 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1s08 h PRO 62 CO 0.76 0.57 -0.76 1.96 -0.23 0.00 0.00 178.00 180.30 1s08 h GLN 63 N 0.89 0.30 -0.03 0.86 4.20 -1.97 -1.26 115.11 118.10 1s08 h GLN 63 Ca 0.38 -0.26 -0.19 0.00 0.06 0.00 0.00 58.65 58.65 1s08 h GLN 63 Cb 0.33 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.18 1s08 h GLN 63 CO -0.15 0.92 -0.71 -0.07 -0.67 0.00 0.00 178.83 178.15 1s08 h LEU 64 N 0.20 0.68 -0.30 1.46 3.38 -1.83 -2.88 115.31 116.02 1s08 h LEU 64 Ca -0.03 -0.72 0.03 0.00 0.09 0.00 0.00 57.88 57.25 1s08 h LEU 64 Cb 1.33 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1s08 h LEU 64 CO 0.12 1.31 0.12 0.78 0.09 0.00 0.00 178.44 180.86 1s08 h ASN 65 N 0.12 0.16 -0.33 -0.43 4.21 -1.03 -1.19 115.58 117.09 1s08 h ASN 65 Ca -0.08 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.44 1s08 h ASN 65 Cb 1.39 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.57 1s08 h ASN 65 CO 0.14 0.13 0.15 0.00 -1.29 0.00 0.00 177.43 176.55 1s08 h ALA 66 N 1.18 0.43 -0.78 -0.83 0.00 -1.28 -2.00 119.26 115.97 1s08 h ALA 66 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1s08 h ALA 66 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1s08 h ALA 66 CO -0.12 0.01 0.32 0.00 0.00 0.00 0.00 179.25 179.46 1s08 h ALA 67 N 0.99 1.01 -0.29 0.00 0.00 -1.35 -1.31 119.26 118.31 1s08 h ALA 67 Ca 0.11 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1s08 h ALA 67 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1s08 h ALA 67 CO -0.01 0.63 -0.33 0.52 0.00 0.00 0.00 179.25 180.06 1s08 h MET 68 N 1.13 0.63 -0.29 0.00 2.07 -0.99 -1.73 114.93 115.75 1s08 h MET 68 Ca 0.26 -0.29 -0.16 0.00 -2.07 0.00 0.00 59.70 57.44 1s08 h MET 68 Cb 0.20 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1s08 h MET 68 CO -0.02 0.88 -0.46 0.87 1.07 0.00 0.00 176.91 179.25 1s08 h LYS 69 N 0.54 0.82 -0.34 1.72 1.57 -1.12 -1.74 116.57 118.01 1s08 h LYS 69 Ca 0.06 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1s08 h LYS 69 Cb 0.82 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1s08 h LYS 69 CO 0.07 1.13 0.17 0.77 -0.57 0.00 0.00 179.45 181.01 1s08 h SER 70 N 0.59 0.45 -0.51 0.86 0.02 -1.17 -2.26 113.55 111.53 1s08 h SER 70 Ca 0.03 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1s08 h SER 70 Cb 1.06 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 1s08 h SER 70 CO 0.10 0.44 0.25 -0.61 -1.14 0.00 0.00 176.83 175.88 1s08 h GLN 71 N 0.42 0.77 -0.64 3.45 5.75 -1.22 -0.72 115.11 122.92 1s08 h GLN 71 Ca 0.12 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1s08 h GLN 71 Cb 0.12 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 1s08 h GLN 71 CO -0.02 0.61 0.31 0.82 -2.65 0.00 0.00 178.83 177.90 1s08 h ILE 72 N 0.77 1.21 -0.25 2.39 2.04 -1.01 0.24 117.51 122.90 1s08 h ILE 72 Ca 0.19 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 1s08 h ILE 72 Cb 0.10 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1s08 h ILE 72 CO -0.02 0.25 -0.12 0.44 0.00 0.00 0.00 178.15 178.70 1s08 h ASP 73 N 0.91 0.40 0.01 1.72 3.45 -0.56 -3.30 116.42 119.05 1s08 h ASP 73 Ca 0.22 -0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.59 1s08 h ASP 73 Cb 0.09 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1s08 h ASP 73 CO -0.03 0.55 -0.00 0.00 -1.57 0.00 0.00 179.24 178.19 1s08 h ALA 74 N 1.49 -0.06 -1.41 3.45 0.00 -0.92 -3.50 119.26 118.32 1s08 h ALA 74 Ca 0.08 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1s08 h ALA 74 Cb 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.95 1s08 h ALA 74 CO 0.03 -0.06 0.50 0.00 0.00 0.00 0.00 179.25 179.71 1s08 s MET 75 N -1.22 0.30 -0.03 0.00 0.23 0.79 -5.06 119.30 114.32 1s08 s MET 75 Ca -0.00 0.49 -0.23 0.00 -1.03 0.00 0.00 55.69 54.92 1s08 s MET 75 Cb 0.00 0.07 -0.23 0.00 -1.53 0.00 0.00 34.83 33.15 1s08 s MET 75 CO 0.00 -0.06 1.08 1.03 -2.03 0.00 0.00 175.02 175.04 1s08 h SER 76 N 5.56 0.30 -5.06 -1.18 0.87 -1.75 -3.41 113.55 108.87 1s08 h SER 76 Ca -0.28 -0.74 -0.13 0.00 -1.23 0.00 0.00 61.79 59.41 1s08 h SER 76 Cb 1.18 -0.09 -0.19 0.00 -0.44 0.00 0.00 62.40 62.87 1s08 h SER 76 CO 0.20 0.99 -0.54 -2.28 -0.53 0.00 0.00 176.83 174.67 1s08 s HIS 77 N -3.28 0.18 -0.13 2.24 2.46 -1.26 -2.15 115.29 113.35 1s08 s HIS 77 Ca -0.15 -0.44 -0.24 0.00 0.47 0.00 0.00 55.06 54.70 1s08 s HIS 77 Cb 0.02 -0.13 0.06 0.00 -0.13 0.00 0.00 32.58 32.39 1s08 s HIS 77 CO 0.76 -0.33 0.60 0.54 -2.47 0.00 0.00 174.74 173.84 1s08 s VAL 78 N -2.24 0.01 0.68 0.89 0.11 -1.26 -5.02 120.40 113.56 1s08 s VAL 78 Ca -0.08 -0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.74 1s08 s VAL 78 Cb -0.03 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1s08 s VAL 78 CO -0.03 -0.04 1.24 0.00 -3.33 0.00 0.00 175.10 172.95 1s08 s MET 79 N -0.50 2.43 0.00 1.54 0.23 -1.26 -4.80 119.30 116.94 1s08 s MET 79 Ca -0.06 1.90 0.23 0.00 -1.03 0.00 0.00 55.69 56.73 1s08 s MET 79 Cb -0.03 -1.85 0.11 0.00 -1.53 0.00 0.00 34.83 31.53 1s08 s MET 79 CO 0.05 -1.65 1.16 0.34 -2.03 0.00 0.00 175.02 172.89 1s08 n PHE 80 N -2.22 0.00 -2.37 3.16 7.35 -1.26 -4.55 117.46 117.57 1s08 n PHE 80 Ca 0.14 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.41 1s08 n PHE 80 Cb 0.49 -0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.28 1s08 n PHE 80 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1s08 s GLY 81 N -2.52 0.97 0.00 7.13 0.00 -1.26 -3.11 107.32 108.53 1s08 s GLY 81 Ca 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1s08 s GLY 81 CO 0.59 2.79 0.00 0.61 0.00 0.00 0.00 173.10 177.09 1s08 n GLY 82 N 5.19 0.48 3.02 0.20 0.00 -1.26 -5.03 105.19 107.79 1s08 n GLY 82 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1s08 n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s08 s ILE 83 N -1.97 0.37 0.17 -0.61 1.01 -1.18 -5.16 121.20 113.83 1s08 s ILE 83 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1s08 s ILE 83 Cb 0.00 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1s08 s ILE 83 CO 0.00 -0.39 0.04 0.28 0.00 0.00 0.00 174.94 174.87 1s08 s THR 84 N -1.30 0.43 0.21 2.92 -1.32 -1.26 -4.67 115.64 110.65 1s08 s THR 84 Ca -0.11 -1.96 -0.17 0.00 -1.21 0.00 0.00 61.69 58.24 1s08 s THR 84 Cb -0.09 -2.17 0.02 0.00 -1.51 0.00 0.00 72.50 68.75 1s08 s THR 84 CO -0.00 -0.39 0.54 -1.38 -2.21 0.00 0.00 174.62 171.17 1s08 s HIS 85 N -3.83 -0.06 0.09 9.09 -3.43 -1.26 -5.09 115.29 110.80 1s08 s HIS 85 Ca 0.26 -0.29 -0.23 0.00 -0.80 0.00 0.00 55.06 54.00 1s08 s HIS 85 Cb 0.07 0.40 -0.14 0.00 -1.43 0.00 0.00 32.58 31.48 1s08 s HIS 85 CO 0.05 -0.96 1.73 0.00 -2.00 0.00 0.00 174.74 173.56 1s08 h ALA 86 N 2.19 -0.05 -0.50 -1.38 0.00 -2.01 -2.50 119.26 115.01 1s08 h ALA 86 Ca -0.27 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.72 1s08 h ALA 86 Cb 1.26 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 1s08 h ALA 86 CO 0.36 -0.54 0.07 -1.35 0.00 0.00 0.00 179.25 177.79 1s08 h PRO 87 N -0.07 0.20 -0.56 0.00 0.11 -1.93 0.24 132.00 129.99 1s08 h PRO 87 Ca 0.01 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1s08 h PRO 87 Cb 0.08 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1s08 h PRO 87 CO -0.02 0.13 0.20 0.00 -0.21 0.00 0.00 178.00 178.10 1s08 h ALA 88 N 1.41 0.73 -0.20 -0.75 0.00 -1.82 -1.35 119.26 117.28 1s08 h ALA 88 Ca 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1s08 h ALA 88 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1s08 h ALA 88 CO -0.36 0.37 0.05 0.82 0.00 0.00 0.00 179.25 180.13 1s08 h ILE 89 N 0.77 1.21 -1.00 0.00 2.04 -0.97 -1.57 117.51 117.99 1s08 h ILE 89 Ca 0.18 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1s08 h ILE 89 Cb 0.24 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1s08 h ILE 89 CO -0.01 0.21 0.66 -0.33 0.00 0.00 0.00 178.15 178.68 1s08 h GLU 90 N 0.14 1.29 -0.13 2.37 4.39 -0.42 -1.76 114.58 120.45 1s08 h GLU 90 Ca 0.06 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1s08 h GLU 90 Cb 0.28 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1s08 h GLU 90 CO 0.00 0.85 0.02 1.25 -1.16 0.00 0.00 179.01 179.97 1s08 h LEU 91 N 1.33 0.22 -1.30 1.33 5.85 -1.18 -2.69 115.31 118.87 1s08 h LEU 91 Ca 0.37 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1s08 h LEU 91 Cb -0.11 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1s08 h LEU 91 CO -0.09 0.43 -0.35 0.00 -0.34 0.00 0.00 178.44 178.09 1s08 h ARG 93 N 0.00 0.31 -0.55 0.00 3.08 -1.28 -1.23 114.38 114.71 1s08 h ARG 93 Ca -0.00 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1s08 h ARG 93 Cb 0.63 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1s08 h ARG 93 CO 0.05 0.52 0.27 0.87 -1.07 0.00 0.00 179.97 180.60 1s08 h LYS 94 N 0.06 0.78 -0.78 0.04 1.57 -1.08 -2.10 116.57 115.06 1s08 h LYS 94 Ca 0.05 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1s08 h LYS 94 Cb 0.38 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1s08 h LYS 94 CO 0.01 0.64 0.44 -0.07 -0.57 0.00 0.00 179.45 179.90 1s08 h LEU 95 N 0.74 0.97 -0.29 2.94 3.38 -1.09 -1.32 115.31 120.63 1s08 h LEU 95 Ca 0.19 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1s08 h LEU 95 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1s08 h LEU 95 CO -0.03 0.77 -0.13 0.58 0.09 0.00 0.00 178.44 179.73 1s08 h VAL 96 N 1.08 1.29 -0.41 1.22 2.07 -1.10 -3.03 116.25 117.37 1s08 h VAL 96 Ca 0.28 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 1s08 h VAL 96 Cb 0.01 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1s08 h VAL 96 CO -0.05 0.39 -0.21 0.00 0.02 0.00 0.00 177.57 177.72 1s08 h ALA 97 N 0.76 0.86 0.00 1.67 0.00 -1.22 -3.21 119.26 118.12 1s08 h ALA 97 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1s08 h ALA 97 Cb 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1s08 h ALA 97 CO 0.04 0.64 -0.16 0.00 0.00 0.00 0.00 179.25 179.76 1s08 n MET 98 N -4.12 0.13 -3.42 0.00 0.00 -0.51 -4.85 117.12 104.35 1s08 n MET 98 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 57.70 57.59 1s08 n MET 98 Cb 0.43 -1.63 -0.02 0.00 0.00 0.00 0.00 33.22 32.01 1s08 n MET 98 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1s08 s THR 99 N -3.06 3.09 0.41 3.17 -4.23 -1.15 -4.95 115.64 108.92 1s08 s THR 99 Ca 0.11 -1.20 -0.23 0.00 -1.18 0.00 0.00 61.69 59.19 1s08 s THR 99 Cb 0.16 -3.08 -0.12 0.00 1.34 0.00 0.00 72.50 70.80 1s08 s THR 99 CO 0.60 -0.05 0.71 -2.65 -0.54 0.00 0.00 174.62 172.70 1s08 n PRO 100 N -1.62 0.82 -0.31 3.99 -0.02 -1.26 -4.85 135.00 131.74 1s08 n PRO 100 Ca 0.04 0.30 0.02 0.00 -2.02 0.00 0.00 63.50 61.83 1s08 n PRO 100 Cb 0.60 -1.67 0.08 0.00 -0.02 0.00 0.00 33.50 32.49 1s08 n PRO 100 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1s08 h GLN 101 N 1.08 -0.02 0.00 -0.52 5.75 -1.93 -0.33 115.11 119.13 1s08 h GLN 101 Ca -0.41 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.08 1s08 h GLN 101 Cb 1.38 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.93 1s08 h GLN 101 CO 0.54 -0.02 -0.03 -1.35 -2.65 0.00 0.00 178.83 175.32 1s08 h PRO 102 N -0.02 0.00 -5.60 -2.39 0.11 -1.96 -3.39 132.00 118.75 1s08 h PRO 102 Ca 0.38 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.87 1s08 h PRO 102 Cb 0.62 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.59 1s08 h PRO 102 CO -0.88 0.03 0.75 -0.51 -0.21 0.00 0.00 178.00 177.18 1s08 s LEU 103 N -6.74 4.20 0.00 2.35 1.43 -0.13 -4.13 118.68 115.65 1s08 s LEU 103 Ca -0.03 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 1s08 s LEU 103 Cb 0.13 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1s08 s LEU 103 CO 0.50 -1.46 0.32 -1.84 0.23 0.00 0.00 176.35 174.10 1s08 n GLU 104 N 7.93 0.09 -4.40 1.70 0.28 -0.99 -4.72 120.64 120.51 1s08 n GLU 104 Ca 0.04 -0.37 -0.33 0.00 -0.16 0.00 0.00 57.16 56.34 1s08 n GLU 104 Cb 0.47 -0.66 -0.15 0.00 1.43 0.00 0.00 31.44 32.53 1s08 n GLU 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s08 s VAL 106 N 0.96 2.88 -0.34 0.00 1.01 -1.26 -0.98 120.40 122.67 1s08 s VAL 106 Ca -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1s08 s VAL 106 Cb -0.15 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.08 1s08 s VAL 106 CO -0.02 0.51 0.09 0.12 0.00 0.00 0.00 175.10 175.80 1s08 s PHE 107 N 0.67 3.36 0.20 5.22 5.36 -0.31 -4.98 117.98 127.50 1s08 s PHE 107 Ca -0.07 -1.94 -0.22 0.00 -0.96 0.00 0.00 56.93 53.74 1s08 s PHE 107 Cb -0.15 -2.51 -0.08 0.00 -0.34 0.00 0.00 43.02 39.94 1s08 s PHE 107 CO 0.02 -0.84 0.75 -0.51 -1.46 0.00 0.00 175.22 173.18 1s08 s LEU 108 N 1.25 4.45 0.00 6.12 1.43 -1.26 -0.53 118.68 130.14 1s08 s LEU 108 Ca -0.00 1.53 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 1s08 s LEU 108 Cb -0.21 -3.48 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 1s08 s LEU 108 CO -0.01 0.10 0.14 0.00 0.23 0.00 0.00 176.35 176.81 1s08 n ALA 109 N 1.08 0.20 -0.09 4.21 0.00 0.08 -4.54 120.51 121.45 1s08 n ALA 109 Ca -0.04 -0.80 -0.23 0.00 0.00 0.00 0.00 53.44 52.38 1s08 n ALA 109 Cb 0.50 0.64 -0.12 0.00 0.00 0.00 0.00 19.45 20.48 1s08 n ALA 109 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1s08 n ASP 110 N -2.31 1.94 -4.39 0.00 5.68 -1.26 -1.30 116.55 114.91 1s08 n ASP 110 Ca 0.03 0.34 -0.20 0.00 -0.50 0.00 0.00 54.79 54.45 1s08 n ASP 110 Cb 0.26 -0.90 -0.10 0.00 -1.14 0.00 0.00 41.12 39.24 1s08 n ASP 110 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1s08 s SER 111 N -6.98 2.69 0.12 -1.12 1.04 -1.26 -2.44 113.70 105.74 1s08 s SER 111 Ca -0.29 -1.09 -0.20 0.00 0.48 0.00 0.00 55.95 54.84 1s08 s SER 111 Cb 0.08 -0.16 -0.07 0.00 0.10 0.00 0.00 66.02 65.97 1s08 s SER 111 CO 0.61 -0.24 1.75 1.23 0.98 0.00 0.00 173.24 177.57 1s08 h GLY 112 N 2.42 0.29 0.43 7.32 0.00 -1.87 -0.93 103.07 110.73 1s08 h GLY 112 Ca -0.39 -0.12 0.10 0.00 0.00 0.00 0.00 47.33 46.92 1s08 h GLY 112 CO 0.64 0.11 0.32 1.76 0.00 0.00 0.00 176.54 179.37 1s08 h SER 113 N 0.25 0.39 -0.51 0.19 0.02 -1.97 0.88 113.55 112.79 1s08 h SER 113 Ca 0.07 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1s08 h SER 113 Cb 0.01 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1s08 h SER 113 CO -0.01 0.22 0.10 0.58 -1.14 0.00 0.00 176.83 176.58 1s08 h VAL 114 N 0.54 1.24 -0.41 2.27 2.07 -1.87 -0.42 116.25 119.67 1s08 h VAL 114 Ca 0.34 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1s08 h VAL 114 Cb 0.38 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1s08 h VAL 114 CO -0.28 0.34 -0.01 0.00 0.02 0.00 0.00 177.57 177.63 1s08 h ALA 115 N 1.26 1.22 -0.35 1.67 0.00 0.45 -1.28 119.26 122.23 1s08 h ALA 115 Ca 0.18 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1s08 h ALA 115 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1s08 h ALA 115 CO 0.01 0.51 -0.28 0.28 0.00 0.00 0.00 179.25 179.77 1s08 h VAL 116 N 0.62 1.29 -0.91 0.00 2.07 -0.23 -1.96 116.25 117.14 1s08 h VAL 116 Ca 0.13 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1s08 h VAL 116 Cb 0.41 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1s08 h VAL 116 CO 0.02 0.47 0.52 -0.33 0.02 0.00 0.00 177.57 178.27 1s08 h GLU 117 N 0.58 1.25 -0.36 1.57 4.39 -0.81 -0.73 114.58 120.47 1s08 h GLU 117 Ca 0.06 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1s08 h GLU 117 Cb 0.85 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1s08 h GLU 117 CO 0.07 0.90 0.22 0.28 -1.16 0.00 0.00 179.01 179.32 1s08 h VAL 118 N 1.26 1.11 -0.56 3.13 2.07 -1.12 0.39 116.25 122.53 1s08 h VAL 118 Ca 0.32 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.63 1s08 h VAL 118 Cb -0.01 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1s08 h VAL 118 CO -0.06 0.11 0.32 0.00 0.02 0.00 0.00 177.57 177.96 1s08 h ALA 119 N 1.10 0.73 -0.28 1.67 0.00 -0.50 0.17 119.26 122.16 1s08 h ALA 119 Ca 0.13 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1s08 h ALA 119 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1s08 h ALA 119 CO -0.03 0.00 0.04 0.52 0.00 0.00 0.00 179.25 179.78 1s08 h MET 120 N 0.61 0.47 -0.43 0.00 2.07 -0.89 -1.69 114.93 115.07 1s08 h MET 120 Ca 0.24 -0.13 -0.01 0.00 -2.07 0.00 0.00 59.70 57.73 1s08 h MET 120 Cb 0.10 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.75 1s08 h MET 120 CO -0.14 0.59 0.22 0.87 1.07 0.00 0.00 176.91 179.52 1s08 h LYS 121 N 0.28 0.59 -0.46 1.72 1.57 -0.62 -1.38 116.57 118.26 1s08 h LYS 121 Ca 0.08 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1s08 h LYS 121 Cb 0.36 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1s08 h LYS 121 CO 0.01 0.45 0.08 0.52 -0.57 0.00 0.00 179.45 179.94 1s08 h MET 122 N 0.59 0.76 -0.17 3.15 2.86 -0.31 -1.53 114.93 120.28 1s08 h MET 122 Ca 0.15 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1s08 h MET 122 Cb 0.05 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1s08 h MET 122 CO -0.02 0.77 -0.35 0.00 1.06 0.00 0.00 176.91 178.37 1s08 h ALA 123 N 0.96 1.08 -0.04 6.32 0.00 -0.77 -1.94 119.26 124.88 1s08 h ALA 123 Ca 0.14 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1s08 h ALA 123 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1s08 h ALA 123 CO 0.01 0.58 -0.10 -0.07 0.00 0.00 0.00 179.25 179.67 1s08 h LEU 124 N 0.31 0.15 -1.40 0.00 3.38 -1.12 -2.98 115.31 113.66 1s08 h LEU 124 Ca 0.04 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 1s08 h LEU 124 Cb 0.77 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1s08 h LEU 124 CO 0.06 0.72 0.10 1.56 0.09 0.00 0.00 178.44 180.97 1s08 h GLN 125 N -0.41 0.50 0.27 1.13 4.20 -1.31 -1.97 115.11 117.52 1s08 h GLN 125 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1s08 h GLN 125 Cb 0.70 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1s08 h GLN 125 CO 0.02 0.45 -0.26 -0.92 -0.67 0.00 0.00 178.83 177.46 1s08 h TYR 126 N 0.50 -0.68 -0.03 2.96 3.20 -1.30 -1.91 116.97 119.71 1s08 h TYR 126 Ca 0.12 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 1s08 h TYR 126 Cb 0.17 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1s08 h TYR 126 CO 0.01 -0.38 -0.52 -1.49 -1.64 0.00 0.00 178.16 174.14 1s08 h TRP 127 N -0.55 0.10 -0.24 -3.82 4.06 -1.37 -2.67 115.95 111.45 1s08 h TRP 127 Ca -0.01 -0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.84 1s08 h TRP 127 Cb 0.51 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 1s08 h TRP 127 CO -0.16 0.58 -0.15 0.37 -3.56 0.00 0.00 178.44 175.53 1s08 h GLN 128 N 0.06 0.40 0.00 0.49 -0.00 -1.16 -1.57 115.11 113.34 1s08 h GLN 128 Ca -0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 1s08 h GLN 128 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.38 1s08 h GLN 128 CO 0.07 0.55 0.00 0.00 0.00 0.00 0.00 178.83 179.45 1s08 h ALA 129 N 1.48 1.00 -0.00 3.38 0.00 -0.99 -2.23 119.26 121.89 1s08 h ALA 129 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s08 h ALA 129 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1s08 h ALA 129 CO 0.03 0.00 -0.78 1.63 0.00 0.00 0.00 179.25 180.12 1s08 n LYS 130 N -2.55 0.37 -1.92 0.00 5.02 -0.66 -4.97 118.16 113.46 1s08 n LYS 130 Ca 0.02 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1s08 n LYS 130 Cb 0.29 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1s08 n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s08 n GLY 131 N 1.47 0.69 3.43 0.72 0.00 -0.76 -5.08 105.19 105.66 1s08 n GLY 131 Ca 0.06 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1s08 n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s08 s GLU 132 N -3.91 2.65 -1.43 1.61 2.02 -0.80 -5.04 118.70 113.79 1s08 s GLU 132 Ca 0.00 -0.72 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 1s08 s GLU 132 Cb 0.00 -2.39 0.06 0.00 0.10 0.00 0.00 34.13 31.90 1s08 s GLU 132 CO 0.00 0.52 2.22 0.00 0.02 0.00 0.00 175.26 178.02 1s08 n ALA 133 N 2.59 5.71 -3.58 5.21 0.00 -1.26 -4.26 120.51 124.93 1s08 n ALA 133 Ca -0.17 -3.95 -0.40 0.00 0.00 0.00 0.00 53.44 48.91 1s08 n ALA 133 Cb 0.52 -3.38 -0.07 0.00 0.00 0.00 0.00 19.45 16.52 1s08 n ALA 133 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1s08 s ARG 134 N 2.39 2.91 0.00 0.00 0.52 -1.26 -4.60 118.95 118.91 1s08 s ARG 134 Ca 0.47 -2.47 0.05 0.00 -0.52 0.00 0.00 55.73 53.26 1s08 s ARG 134 Cb 0.14 -3.98 0.07 0.00 0.52 0.00 0.00 34.95 31.70 1s08 s ARG 134 CO -0.07 -1.21 0.78 1.04 0.02 0.00 0.00 175.30 175.85 1s08 n GLN 135 N 3.71 0.49 -3.92 3.54 6.02 -1.20 -4.52 117.38 121.50 1s08 n GLN 135 Ca 0.09 -1.04 -0.33 0.00 -0.01 0.00 0.00 57.00 55.71 1s08 n GLN 135 Cb 0.41 -1.11 -0.05 0.00 1.02 0.00 0.00 30.24 30.51 1s08 n GLN 135 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1s08 s ARG 136 N -0.58 3.41 -0.04 -1.09 0.52 -1.05 -4.91 118.95 115.22 1s08 s ARG 136 Ca 0.07 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 1s08 s ARG 136 Cb 0.05 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 1s08 s ARG 136 CO 0.07 0.67 -0.12 -0.06 0.02 0.00 0.00 175.30 175.88 1s08 s PHE 137 N -1.33 2.77 -0.20 -0.53 0.40 -1.26 0.25 117.98 118.08 1s08 s PHE 137 Ca 0.28 -0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.46 1s08 s PHE 137 Cb -0.13 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 1s08 s PHE 137 CO 0.19 0.25 -0.04 -1.17 0.70 0.00 0.00 175.22 175.16 1s08 s LEU 138 N -0.92 3.03 0.31 -0.37 2.96 -0.84 -1.77 118.68 121.07 1s08 s LEU 138 Ca 0.13 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1s08 s LEU 138 Cb -0.11 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1s08 s LEU 138 CO 0.02 0.05 0.17 0.28 -1.32 0.00 0.00 176.35 175.55 1s08 s THR 139 N 1.08 0.30 0.33 3.68 -1.32 -0.50 -1.92 115.64 117.29 1s08 s THR 139 Ca 0.01 -2.00 -0.07 0.00 -1.21 0.00 0.00 61.69 58.43 1s08 s THR 139 Cb -0.15 -2.51 -0.05 0.00 -1.51 0.00 0.00 72.50 68.28 1s08 s THR 139 CO 0.00 0.00 0.63 -0.36 -2.21 0.00 0.00 174.62 172.68 1s08 s PHE 140 N -3.60 3.48 0.67 9.09 2.99 -1.26 -1.03 117.98 128.31 1s08 s PHE 140 Ca 0.36 0.77 -0.12 0.00 0.00 0.00 0.00 56.93 57.94 1s08 s PHE 140 Cb 0.05 -2.21 -0.00 0.00 0.00 0.00 0.00 43.02 40.85 1s08 s PHE 140 CO 0.18 0.07 1.06 1.03 -0.00 0.00 0.00 175.22 177.56 1s08 s ARG 141 N -3.69 3.05 0.00 0.44 0.52 -0.09 -3.35 118.95 115.84 1s08 s ARG 141 Ca 0.46 0.99 0.00 0.00 -0.52 0.00 0.00 55.73 56.67 1s08 s ARG 141 Cb -0.11 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.36 1s08 s ARG 141 CO 0.31 -1.01 0.00 0.09 0.02 0.00 0.00 175.30 174.71 1s08 n ASN 142 N -2.89 -4.00 -4.86 0.23 3.02 -1.26 -4.24 115.26 101.26 1s08 n ASN 142 Ca 0.08 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.31 1s08 n ASN 142 Cb 0.53 -1.68 -0.04 0.00 -0.61 0.00 0.00 39.78 37.99 1s08 n ASN 142 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1s08 s GLY 143 N -2.00 2.04 -0.04 7.41 0.00 -1.21 -4.08 107.32 109.44 1s08 s GLY 143 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.71 1s08 s GLY 143 CO 0.00 0.23 0.04 -0.47 0.00 0.00 0.00 173.10 172.90 1s08 s TYR 144 N -2.45 0.12 0.00 1.90 5.04 -1.26 -2.80 117.35 117.90 1s08 s TYR 144 Ca 0.55 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1s08 s TYR 144 Cb -0.10 -0.42 0.00 0.00 0.35 0.00 0.00 41.96 41.79 1s08 s TYR 144 CO 0.30 -0.16 0.50 0.72 -1.34 0.00 0.00 175.55 175.56 1s08 n HIS 145 N 4.84 0.00 0.00 4.97 8.25 -1.26 -4.90 115.22 127.12 1s08 n HIS 145 Ca -0.13 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1s08 n HIS 145 Cb 0.50 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1s08 n HIS 145 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s08 n GLY 146 N -0.12 2.61 0.08 -1.41 0.00 -1.26 -4.48 105.19 100.60 1s08 n GLY 146 Ca 0.00 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 1s08 n GLY 146 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s08 h ASN 147 N 0.00 0.00 -3.76 1.61 4.21 -1.93 -3.37 115.58 112.34 1s08 h ASN 147 Ca 0.00 0.00 -0.46 0.00 1.21 0.00 0.00 56.30 57.05 1s08 h ASN 147 Cb 0.00 0.00 0.18 0.00 -1.12 0.00 0.00 38.32 37.38 1s08 h ASN 147 CO 0.00 0.99 0.15 0.42 -1.29 0.00 0.00 177.43 177.70 1s08 s THR 148 N -2.62 2.22 0.17 2.81 -4.23 -1.26 -4.66 115.64 108.07 1s08 s THR 148 Ca -0.04 0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.30 1s08 s THR 148 Cb 0.08 -2.37 0.04 0.00 1.34 0.00 0.00 72.50 71.60 1s08 s THR 148 CO 0.82 -0.09 1.58 0.15 -0.54 0.00 0.00 174.62 176.54 1s08 h PHE 149 N -2.05 -1.13 -0.20 3.99 3.57 -1.99 0.19 116.94 119.32 1s08 h PHE 149 Ca -0.54 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 1s08 h PHE 149 Cb 1.31 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 40.61 1s08 h PHE 149 CO 0.34 -0.41 0.00 0.78 -2.23 0.00 0.00 178.31 176.79 1s08 h GLY 150 N -0.26 0.39 1.46 2.40 0.00 -1.98 -2.63 103.07 102.45 1s08 h GLY 150 Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.24 1s08 h GLY 150 CO -0.62 0.26 0.34 0.00 0.00 0.00 0.00 176.54 176.52 1s08 h ALA 151 N 0.80 1.67 0.00 3.60 0.00 -1.81 -1.02 119.26 122.50 1s08 h ALA 151 Ca 0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1s08 h ALA 151 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1s08 h ALA 151 CO 0.01 0.29 -0.44 0.52 0.00 0.00 0.00 179.25 179.63 1s08 h MET 152 N 0.66 0.00 0.00 0.00 2.07 -0.36 -2.95 114.93 114.35 1s08 h MET 152 Ca 0.19 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.82 1s08 h MET 152 Cb -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.71 1s08 h MET 152 CO -0.05 0.44 0.00 0.66 1.07 0.00 0.00 176.91 179.03 1s08 h SER 153 N 0.00 0.00 -0.09 1.22 4.64 -0.82 -2.41 113.55 116.09 1s08 h SER 153 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1s08 h SER 153 Cb 0.79 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1s08 h SER 153 CO 0.06 0.00 -0.04 1.33 -0.87 0.00 0.00 176.83 177.30 1s08 n VAL 154 N -2.54 2.06 -3.80 0.95 0.24 -1.12 -4.56 118.33 109.56 1s08 n VAL 154 Ca 0.00 -2.27 -0.25 0.00 -2.04 0.00 0.00 64.34 59.79 1s08 n VAL 154 Cb 0.18 -0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 32.27 1s08 n VAL 154 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s08 s ASP 156 N -3.55 6.06 0.00 0.00 -1.08 -1.12 -4.96 116.67 112.02 1s08 s ASP 156 Ca 0.36 2.21 0.00 0.00 -0.52 0.00 0.00 52.55 54.60 1s08 s ASP 156 Cb -0.10 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1s08 s ASP 156 CO 0.30 -1.43 0.00 -2.65 0.52 0.00 0.00 175.17 171.91 1s08 n PRO 157 N 8.02 2.46 0.00 4.34 -0.02 -1.26 -4.96 135.00 143.59 1s08 n PRO 157 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1s08 n PRO 157 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1s08 n PRO 157 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s08 n ASN 172 N 0.00 -3.82 -4.23 2.55 3.02 -1.26 -5.22 115.26 106.29 1s08 n ASN 172 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1s08 n ASN 172 Cb 0.00 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.00 1s08 n ASN 172 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1s08 s LEU 173 N 0.00 2.08 -0.24 3.41 1.43 -0.73 -5.01 118.68 119.62 1s08 s LEU 173 Ca 0.00 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1s08 s LEU 173 Cb 0.00 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.87 1s08 s LEU 173 CO 0.00 0.18 -0.13 -0.36 0.23 0.00 0.00 176.35 176.27 1s08 s PHE 174 N 0.21 3.16 0.63 0.29 0.40 -1.26 -1.40 117.98 120.02 1s08 s PHE 174 Ca -0.15 -2.17 -0.09 0.00 -0.60 0.00 0.00 56.93 53.91 1s08 s PHE 174 Cb -0.17 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.42 1s08 s PHE 174 CO 0.08 -0.86 1.00 0.00 0.70 0.00 0.00 175.22 176.14 1s08 s ALA 175 N 1.15 3.10 0.77 5.36 0.00 -0.20 -4.83 121.76 127.10 1s08 s ALA 175 Ca -0.06 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 1s08 s ALA 175 Cb -0.18 -2.91 0.06 0.00 0.00 0.00 0.00 23.12 20.09 1s08 s ALA 175 CO -0.07 -0.84 1.15 -2.14 0.00 0.00 0.00 175.76 173.87 1s08 s PRO 176 N -5.16 2.02 0.39 0.00 0.02 -1.26 -0.91 135.00 130.11 1s08 s PRO 176 Ca 0.55 1.53 -0.26 0.00 0.02 0.00 0.00 61.00 62.83 1s08 s PRO 176 Cb -0.11 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 1s08 s PRO 176 CO 0.50 -1.87 1.30 0.00 -0.33 0.00 0.00 177.00 176.60 1s08 s ALA 177 N -2.38 3.30 -0.20 -1.55 0.00 -1.26 -4.30 121.76 115.37 1s08 s ALA 177 Ca 0.69 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 1s08 s ALA 177 Cb -0.24 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 1s08 s ALA 177 CO 0.49 -0.79 2.18 -2.30 0.00 0.00 0.00 175.76 175.35 1s08 n PRO 178 N 0.25 1.98 -0.13 0.00 -0.02 -1.26 -4.90 135.00 130.92 1s08 n PRO 178 Ca 0.03 0.58 -0.08 0.00 -2.02 0.00 0.00 63.50 62.00 1s08 n PRO 178 Cb 0.43 -3.11 0.07 0.00 -0.02 0.00 0.00 33.50 30.87 1s08 n PRO 178 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1s08 h GLN 179 N 14.08 0.89 -6.92 -0.52 4.20 -1.90 -3.46 115.11 121.48 1s08 h GLN 179 Ca -0.41 -0.33 -0.51 0.00 0.06 0.00 0.00 58.65 57.46 1s08 h GLN 179 Cb 1.25 -0.05 0.05 0.00 0.30 0.00 0.00 27.48 29.02 1s08 h GLN 179 CO 0.96 0.98 0.51 -1.12 -0.67 0.00 0.00 178.83 179.49 1s08 s SER 180 N -6.70 6.67 0.12 1.46 0.01 -1.26 -5.03 113.70 108.96 1s08 s SER 180 Ca -0.10 2.37 0.01 0.00 1.31 0.00 0.00 55.95 59.53 1s08 s SER 180 Cb 0.13 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 1s08 s SER 180 CO 0.85 -0.58 0.27 -0.13 0.41 0.00 0.00 173.24 174.06 1s08 s ARG 181 N -2.12 3.46 0.04 12.44 0.52 -1.26 -2.42 118.95 129.60 1s08 s ARG 181 Ca 0.54 -0.48 -0.24 0.00 -0.52 0.00 0.00 55.73 55.03 1s08 s ARG 181 Cb -0.32 -2.98 -0.18 0.00 0.52 0.00 0.00 34.95 32.00 1s08 s ARG 181 CO 0.40 0.54 1.51 1.98 0.02 0.00 0.00 175.30 179.76 1s08 h MET 182 N 2.56 -0.01 -1.00 3.54 1.85 -1.51 -2.92 114.93 117.44 1s08 h MET 182 Ca -0.47 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 58.67 1s08 h MET 182 Cb 1.18 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 33.15 1s08 h MET 182 CO 0.72 0.22 0.65 -0.44 -0.40 0.00 0.00 176.91 177.66 1s08 h ASP 183 N -0.24 1.07 0.00 1.39 3.32 -1.92 -3.46 116.42 116.57 1s08 h ASP 183 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s08 h ASP 183 Cb 0.24 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1s08 h ASP 183 CO 0.00 0.71 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 1s08 n GLY 184 N -1.37 2.13 3.90 2.75 0.00 -1.10 -5.11 105.19 106.38 1s08 n GLY 184 Ca 0.14 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 1s08 n GLY 184 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s08 s GLU 185 N 4.05 3.62 0.07 1.61 0.41 -1.26 -4.81 118.70 122.39 1s08 s GLU 185 Ca 0.00 -0.08 -0.30 0.00 -0.41 0.00 0.00 54.97 54.18 1s08 s GLU 185 Cb 0.00 -2.84 -0.05 0.00 -1.78 0.00 0.00 34.13 29.46 1s08 s GLU 185 CO 0.00 0.46 0.96 -0.46 -0.49 0.00 0.00 175.26 175.73 1s08 s TRP 186 N -1.67 3.76 -0.12 1.61 -0.11 -1.26 -4.21 118.94 116.94 1s08 s TRP 186 Ca 0.41 1.76 0.02 0.00 1.22 0.00 0.00 56.10 59.51 1s08 s TRP 186 Cb -0.12 -3.07 0.01 0.00 -1.50 0.00 0.00 33.47 28.79 1s08 s TRP 186 CO 0.25 0.14 -0.19 0.34 -4.62 0.00 0.00 176.95 172.86 1s08 s ASP 187 N 0.32 2.79 0.53 5.86 -1.08 -1.26 -5.05 116.67 118.78 1s08 s ASP 187 Ca 0.48 -0.52 0.34 0.00 -0.52 0.00 0.00 52.55 52.34 1s08 s ASP 187 Cb -0.22 -1.27 1.48 0.00 -1.46 0.00 0.00 42.92 41.44 1s08 s ASP 187 CO 0.29 0.06 2.00 -0.33 0.52 0.00 0.00 175.17 177.72 1s08 h GLU 188 N 7.26 0.00 0.00 4.34 4.39 -2.05 -3.15 114.58 125.37 1s08 h GLU 188 Ca -0.30 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1s08 h GLU 188 Cb 1.19 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1s08 h GLU 188 CO 0.51 0.00 -0.06 -0.09 -1.16 0.00 0.00 179.01 178.21 1s08 h ARG 189 N 0.00 0.00 -0.84 2.33 2.43 -2.04 -2.86 114.38 113.40 1s08 h ARG 189 Ca 0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1s08 h ARG 189 Cb 0.41 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 1s08 h ARG 189 CO 0.00 0.06 0.55 0.22 -1.51 0.00 0.00 179.97 179.29 1s08 h ASP 190 N 0.00 0.65 1.04 -3.80 1.82 -1.99 -2.85 116.42 111.29 1s08 h ASP 190 Ca -0.00 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1s08 h ASP 190 Cb 0.36 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.26 1s08 h ASP 190 CO 0.01 0.35 -0.12 0.24 -1.61 0.00 0.00 179.24 178.11 1s08 h MET 191 N 0.70 0.00 -0.68 0.28 2.86 -1.76 -3.38 114.93 112.94 1s08 h MET 191 Ca 0.41 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.16 1s08 h MET 191 Cb 0.60 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.18 1s08 h MET 191 CO -0.17 0.12 0.27 -0.39 1.06 0.00 0.00 176.91 177.80 1s08 h VAL 192 N 0.00 0.73 -0.21 -2.22 -1.51 -1.70 -1.03 116.25 110.30 1s08 h VAL 192 Ca -0.00 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 65.31 1s08 h VAL 192 Cb 0.68 0.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.07 1s08 h VAL 192 CO 0.02 0.08 0.08 1.23 -1.23 0.00 0.00 177.57 177.75 1s08 h GLY 193 N 0.44 0.34 1.89 5.19 0.00 -1.83 -0.40 103.07 108.70 1s08 h GLY 193 Ca 0.36 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 1s08 h GLY 193 CO -0.35 0.17 -0.34 -2.75 0.00 0.00 0.00 176.54 173.27 1s08 h PHE 194 N 0.19 0.15 -0.29 5.60 3.57 -1.70 -0.92 116.94 123.53 1s08 h PHE 194 Ca 0.07 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 1s08 h PHE 194 Cb 0.18 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1s08 h PHE 194 CO -0.01 0.46 -0.27 0.00 -2.23 0.00 0.00 178.31 176.26 1s08 h ALA 195 N 1.54 0.42 -0.57 2.41 0.00 -0.98 -1.89 119.26 120.18 1s08 h ALA 195 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1s08 h ALA 195 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1s08 h ALA 195 CO 0.05 0.42 0.30 -0.09 0.00 0.00 0.00 179.25 179.93 1s08 h ARG 196 N 0.43 0.81 0.16 0.00 2.43 -0.68 -0.80 114.38 116.73 1s08 h ARG 196 Ca 0.05 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1s08 h ARG 196 Cb 0.84 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1s08 h ARG 196 CO 0.07 0.63 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.01 1s08 h LEU 197 N 0.77 -0.18 -1.24 3.80 3.38 -1.19 -2.33 115.31 118.33 1s08 h LEU 197 Ca 0.20 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1s08 h LEU 197 Cb 0.07 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1s08 h LEU 197 CO -0.03 0.16 0.56 -0.03 0.09 0.00 0.00 178.44 179.18 1s08 h MET 198 N -0.54 0.84 -0.35 1.13 4.05 -1.28 -0.50 114.93 118.29 1s08 h MET 198 Ca -0.02 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.26 1s08 h MET 198 Cb 0.41 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1s08 h MET 198 CO 0.04 0.56 -0.11 0.00 0.23 0.00 0.00 176.91 177.62 1s08 h ALA 199 N 1.56 0.48 0.00 0.39 0.00 -1.09 1.00 119.26 121.60 1s08 h ALA 199 Ca 0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1s08 h ALA 199 Cb 0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1s08 h ALA 199 CO -0.16 0.35 -0.05 0.00 0.00 0.00 0.00 179.25 179.39 1s08 h ALA 200 N 0.80 1.00 0.00 0.00 0.00 -1.07 -3.38 119.26 116.61 1s08 h ALA 200 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s08 h ALA 200 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1s08 h ALA 200 CO 0.04 0.07 0.00 0.72 0.00 0.00 0.00 179.25 180.08 1s08 n HIS 201 N -3.15 0.00 -0.56 0.00 -0.00 -0.23 -4.82 115.22 106.46 1s08 n HIS 201 Ca 0.01 -0.08 0.46 0.00 -0.00 0.00 0.00 57.72 58.11 1s08 n HIS 201 Cb 0.39 -0.01 0.78 0.00 -0.00 0.00 0.00 29.99 31.15 1s08 n HIS 201 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 1s08 h ARG 202 N 0.00 0.01 0.07 -0.41 0.11 0.84 -0.94 114.38 114.06 1s08 h ARG 202 Ca 0.00 -0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.82 1s08 h ARG 202 Cb 0.80 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.86 1s08 h ARG 202 CO 0.00 0.01 -1.22 0.45 0.10 0.00 0.00 179.97 179.31 1s08 h HIS 203 N 0.01 0.27 -0.04 4.08 3.86 -1.88 -3.28 115.15 118.18 1s08 h HIS 203 Ca 0.81 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.82 1s08 h HIS 203 Cb 3.16 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 31.62 1s08 h HIS 203 CO -0.00 1.17 0.00 -0.85 0.86 0.00 0.00 177.93 179.11 1s08 n GLU 204 N -3.42 2.03 -2.71 2.45 0.28 -0.38 -4.64 120.64 114.25 1s08 n GLU 204 Ca -0.07 -1.50 -0.43 0.00 -0.16 0.00 0.00 57.16 55.01 1s08 n GLU 204 Cb 1.00 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 32.37 1s08 n GLU 204 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1s08 s ILE 205 N -1.97 4.67 -0.02 3.84 1.01 -1.07 -2.54 121.20 125.12 1s08 s ILE 205 Ca 0.33 1.83 -0.15 0.00 0.00 0.00 0.00 60.65 62.67 1s08 s ILE 205 Cb 0.20 -4.30 -0.33 0.00 0.01 0.00 0.00 42.46 38.05 1s08 s ILE 205 CO 0.31 -0.25 0.83 0.00 0.00 0.00 0.00 174.94 175.84 1s08 h ALA 206 N 7.69 -0.01 -2.46 9.38 0.00 -0.43 -3.45 119.26 129.97 1s08 h ALA 206 Ca -0.20 -0.97 -0.02 0.00 0.00 0.00 0.00 54.91 53.72 1s08 h ALA 206 Cb 1.07 0.30 -0.16 0.00 0.00 0.00 0.00 17.79 19.00 1s08 h ALA 206 CO 0.97 0.79 0.24 0.00 0.00 0.00 0.00 179.25 181.25 1s08 s ALA 207 N -2.56 -1.70 -0.28 0.00 0.00 -1.25 -3.08 121.76 112.88 1s08 s ALA 207 Ca -0.13 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 1s08 s ALA 207 Cb 0.04 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 1s08 s ALA 207 CO 0.89 -0.57 0.21 0.08 0.00 0.00 0.00 175.76 176.36 1s08 s VAL 208 N -2.50 5.30 -0.19 0.00 1.01 0.75 -1.99 120.40 122.77 1s08 s VAL 208 Ca -0.04 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1s08 s VAL 208 Cb -0.01 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1s08 s VAL 208 CO -0.02 0.24 0.03 -0.51 0.00 0.00 0.00 175.10 174.83 1s08 s ILE 209 N 1.78 4.30 0.05 2.22 2.07 -0.81 -0.39 121.20 130.42 1s08 s ILE 209 Ca 0.08 -0.20 -0.05 0.00 -1.41 0.00 0.00 60.65 59.07 1s08 s ILE 209 Cb -0.16 -2.94 -0.01 0.00 0.13 0.00 0.00 42.46 39.47 1s08 s ILE 209 CO 0.11 0.44 0.08 0.27 -1.91 0.00 0.00 174.94 173.93 1s08 s ILE 210 N 0.73 0.15 -0.24 2.00 -4.36 -0.75 -4.22 121.20 114.51 1s08 s ILE 210 Ca 0.01 -1.21 -0.22 0.00 -0.26 0.00 0.00 60.65 58.98 1s08 s ILE 210 Cb -0.14 -1.02 -0.02 0.00 1.25 0.00 0.00 42.46 42.53 1s08 s ILE 210 CO 0.02 -0.67 0.69 -1.61 0.24 0.00 0.00 174.94 173.62 1s08 s GLU 211 N -2.92 4.15 0.07 0.37 2.02 -1.26 -0.73 118.70 120.39 1s08 s GLU 211 Ca -0.02 0.68 -0.31 0.00 0.02 0.00 0.00 54.97 55.34 1s08 s GLU 211 Cb 0.01 -3.64 -0.06 0.00 0.10 0.00 0.00 34.13 30.54 1s08 s GLU 211 CO -0.06 -0.41 1.31 -1.25 0.02 0.00 0.00 175.26 174.87 1s08 s PRO 212 N 2.50 4.36 0.00 0.39 0.04 -1.26 -4.32 135.00 136.70 1s08 s PRO 212 Ca 0.29 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1s08 s PRO 212 Cb -0.16 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1s08 s PRO 212 CO 0.09 -0.39 0.00 -0.89 0.04 0.00 0.00 177.00 175.85 1s08 n ILE 213 N 4.08 0.00 -3.93 0.56 2.08 -1.26 -4.76 119.36 116.13 1s08 n ILE 213 Ca 0.11 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 63.07 1s08 n ILE 213 Cb 0.44 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 39.19 1s08 n ILE 213 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1s08 s VAL 214 N 0.00 3.26 -0.53 1.39 1.01 -1.26 -0.62 120.40 123.65 1s08 s VAL 214 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 1s08 s VAL 214 Cb 0.00 -2.48 0.09 0.00 0.00 0.00 0.00 36.38 33.99 1s08 s VAL 214 CO 0.00 0.43 0.59 -1.10 0.00 0.00 0.00 175.10 175.02 1s08 s GLN 215 N 1.46 3.05 0.00 2.72 -0.21 -0.22 -4.80 119.66 121.66 1s08 s GLN 215 Ca 0.06 -1.25 0.00 0.00 0.02 0.00 0.00 55.36 54.19 1s08 s GLN 215 Cb -0.14 -4.19 0.00 0.00 1.00 0.00 0.00 33.01 29.68 1s08 s GLN 215 CO -0.04 -1.30 0.00 0.41 -2.12 0.00 0.00 175.29 172.23 1s08 n GLY 216 N 5.23 -0.68 0.33 3.09 0.00 -1.26 0.13 105.19 112.03 1s08 n GLY 216 Ca -0.10 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.14 1s08 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s08 h ALA 217 N -2.00 1.03 -0.00 4.61 0.00 -1.91 0.19 119.26 121.17 1s08 h ALA 217 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s08 h ALA 217 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s08 h ALA 217 CO 0.00 0.00 -0.38 0.41 0.00 0.00 0.00 179.25 179.28 1s08 n GLY 218 N -0.98 -1.03 0.00 0.00 0.00 -1.26 -4.80 105.19 97.13 1s08 n GLY 218 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1s08 n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s08 n GLY 219 N 1.44 0.00 3.92 -0.02 0.00 -0.85 -4.83 105.19 104.85 1s08 n GLY 219 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1s08 n GLY 219 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s08 n MET 220 N 0.00 -5.22 -2.87 1.61 2.81 0.34 -4.95 117.12 108.84 1s08 n MET 220 Ca 0.00 0.58 -0.33 0.00 -1.81 0.00 0.00 57.70 56.13 1s08 n MET 220 Cb 0.00 -5.40 -0.07 0.00 -0.71 0.00 0.00 33.22 27.04 1s08 n MET 220 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1s08 s ARG 221 N -6.59 4.21 -0.24 0.03 0.52 -0.42 -4.85 118.95 111.62 1s08 s ARG 221 Ca 0.59 1.05 0.00 0.00 -0.52 0.00 0.00 55.73 56.86 1s08 s ARG 221 Cb -0.30 -2.25 0.06 0.00 0.52 0.00 0.00 34.95 32.98 1s08 s ARG 221 CO 0.84 0.02 -0.03 -1.64 0.02 0.00 0.00 175.30 174.50 1s08 s MET 222 N -3.09 1.46 0.23 3.54 -1.94 -1.25 -1.06 119.30 117.19 1s08 s MET 222 Ca 0.60 -0.95 0.06 0.00 -1.71 0.00 0.00 55.69 53.69 1s08 s MET 222 Cb -0.10 -2.53 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1s08 s MET 222 CO 0.14 -0.63 0.23 1.52 -0.01 0.00 0.00 175.02 176.27 1s08 s TYR 223 N 1.44 3.22 0.29 -0.03 -0.85 0.21 -1.84 117.35 119.79 1s08 s TYR 223 Ca -0.04 -0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.15 1s08 s TYR 223 Cb -0.19 -1.47 -0.11 0.00 0.38 0.00 0.00 41.96 40.58 1s08 s TYR 223 CO -0.07 0.50 1.50 -1.58 -1.52 0.00 0.00 175.55 174.38 1s08 s HIS 224 N -2.02 2.86 0.56 -3.49 5.65 -1.02 -4.07 115.29 113.77 1s08 s HIS 224 Ca 0.33 0.98 0.38 0.00 0.25 0.00 0.00 55.06 56.99 1s08 s HIS 224 Cb -0.09 -3.93 2.06 0.00 -1.18 0.00 0.00 32.58 29.44 1s08 s HIS 224 CO 0.26 -3.01 2.27 -1.35 -0.65 0.00 0.00 174.74 172.26 1s08 h PRO 225 N 4.59 0.00 -0.77 2.88 0.11 -1.88 -2.36 132.00 134.57 1s08 h PRO 225 Ca -0.47 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.81 1s08 h PRO 225 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1s08 h PRO 225 CO 0.76 0.02 0.52 1.49 -0.21 0.00 0.00 178.00 180.57 1s08 h GLU 226 N 0.00 0.33 -0.61 1.05 4.57 -1.92 -0.54 114.58 117.47 1s08 h GLU 226 Ca -0.00 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.23 1s08 h GLU 226 Cb 0.09 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.55 1s08 h GLU 226 CO 0.00 0.22 0.29 -1.49 -1.18 0.00 0.00 179.01 176.85 1s08 h TRP 227 N 0.34 0.52 -0.53 0.92 4.06 -1.80 0.14 115.95 119.60 1s08 h TRP 227 Ca 0.38 0.03 -0.11 0.00 2.06 0.00 0.00 58.89 61.25 1s08 h TRP 227 Cb 0.99 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.00 1s08 h TRP 227 CO -0.00 0.21 -0.09 -0.07 -3.56 0.00 0.00 178.44 174.93 1s08 h LEU 228 N 0.53 0.99 -0.14 -4.49 3.38 -1.31 0.36 115.31 114.63 1s08 h LEU 228 Ca 0.29 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1s08 h LEU 228 Cb 0.26 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1s08 h LEU 228 CO -0.23 1.10 -0.05 0.50 0.09 0.00 0.00 178.44 179.86 1s08 h LYS 229 N 0.87 -0.02 -0.15 1.13 3.64 -0.91 -1.30 116.57 119.83 1s08 h LYS 229 Ca 0.14 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1s08 h LYS 229 Cb 0.65 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1s08 h LYS 229 CO 0.04 -0.01 0.08 0.00 -2.27 0.00 0.00 179.45 177.29 1s08 h ARG 230 N -0.02 0.21 -0.93 1.90 2.47 -0.44 -2.58 114.38 114.99 1s08 h ARG 230 Ca 0.07 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1s08 h ARG 230 Cb 0.13 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.36 1s08 h ARG 230 CO -0.15 0.22 0.58 0.82 0.56 0.00 0.00 179.97 182.00 1s08 h ILE 231 N 0.14 1.25 -0.77 2.04 2.04 -0.87 -2.29 117.51 119.05 1s08 h ILE 231 Ca 0.05 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1s08 h ILE 231 Cb 0.07 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.03 1s08 h ILE 231 CO -0.01 0.25 0.32 -0.09 0.00 0.00 0.00 178.15 178.62 1s08 h ARG 232 N 1.27 1.14 -0.29 2.37 9.65 -0.88 -1.80 114.38 125.84 1s08 h ARG 232 Ca 0.34 -0.20 -0.14 0.00 -1.10 0.00 0.00 59.98 58.87 1s08 h ARG 232 Cb -0.09 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.30 1s08 h ARG 232 CO -0.07 0.92 -0.38 0.87 2.80 0.00 0.00 179.97 184.11 1s08 h LYS 233 N 1.11 0.76 -0.94 0.20 1.57 -1.20 -1.80 116.57 116.27 1s08 h LYS 233 Ca 0.26 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1s08 h LYS 233 Cb 0.20 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 1s08 h LYS 233 CO -0.02 1.07 0.61 0.82 -0.57 0.00 0.00 179.45 181.36 1s08 h ILE 234 N 0.52 1.24 -0.12 1.86 2.04 -1.29 0.01 117.51 121.77 1s08 h ILE 234 Ca 0.03 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1s08 h ILE 234 Cb 0.97 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1s08 h ILE 234 CO 0.09 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.48 1s08 h ASP 236 N -0.05 0.47 0.03 0.00 3.32 -1.02 -0.84 116.42 118.33 1s08 h ASP 236 Ca 0.03 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1s08 h ASP 236 Cb 0.35 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1s08 h ASP 236 CO 0.01 0.24 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.66 1s08 h ARG 237 N 0.60 -0.04 -0.00 3.56 2.43 -0.73 -3.20 114.38 117.01 1s08 h ARG 237 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1s08 h ARG 237 Cb 0.48 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1s08 h ARG 237 CO -0.31 0.35 -0.00 0.39 -1.51 0.00 0.00 179.97 178.89 1s08 n GLU 238 N -4.92 0.29 -0.80 0.20 -0.58 -0.50 -4.90 120.64 109.43 1s08 n GLU 238 Ca -0.08 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1s08 n GLU 238 Cb 0.21 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1s08 n GLU 238 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s08 n GLY 239 N 1.36 0.69 3.81 0.62 0.00 -0.53 -5.04 105.19 106.09 1s08 n GLY 239 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1s08 n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s08 s ILE 240 N -2.47 4.55 0.21 -0.61 1.01 -0.44 -4.99 121.20 118.47 1s08 s ILE 240 Ca 0.00 1.35 -0.30 0.00 0.00 0.00 0.00 60.65 61.70 1s08 s ILE 240 Cb 0.00 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 1s08 s ILE 240 CO 0.00 0.30 0.97 -0.76 0.00 0.00 0.00 174.94 175.45 1s08 s LEU 241 N -1.75 4.60 -0.22 2.97 1.43 -1.18 -4.41 118.68 120.12 1s08 s LEU 241 Ca 0.40 1.96 -0.08 0.00 -1.03 0.00 0.00 54.13 55.38 1s08 s LEU 241 Cb -0.18 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1s08 s LEU 241 CO 0.22 0.06 0.09 -0.22 0.23 0.00 0.00 176.35 176.72 1s08 s LEU 242 N -0.90 3.69 -0.25 1.79 2.96 -1.26 -0.18 118.68 124.53 1s08 s LEU 242 Ca 0.43 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 1s08 s LEU 242 Cb -0.26 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.46 1s08 s LEU 242 CO 0.33 0.05 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.77 1s08 s ILE 243 N 1.09 3.37 -0.30 6.68 1.01 0.48 -0.95 121.20 132.58 1s08 s ILE 243 Ca 0.05 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 1s08 s ILE 243 Cb -0.14 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1s08 s ILE 243 CO 0.04 0.26 0.20 0.00 0.00 0.00 0.00 174.94 175.44 1s08 s ALA 244 N 1.43 3.52 -0.60 9.38 0.00 0.66 -1.81 121.76 134.35 1s08 s ALA 244 Ca 0.03 -1.17 -0.20 0.00 0.00 0.00 0.00 51.96 50.62 1s08 s ALA 244 Cb -0.16 -2.53 0.09 0.00 0.00 0.00 0.00 23.12 20.52 1s08 s ALA 244 CO -0.02 -0.66 0.77 0.34 0.00 0.00 0.00 175.76 176.19 1s08 s ASP 245 N 1.75 6.19 -0.29 0.00 -1.08 0.09 -1.69 116.67 121.64 1s08 s ASP 245 Ca 0.07 -1.26 0.10 0.00 -0.52 0.00 0.00 52.55 50.94 1s08 s ASP 245 Cb -0.16 -2.33 0.56 0.00 -1.46 0.00 0.00 42.92 39.52 1s08 s ASP 245 CO 0.11 -1.18 1.55 -0.62 0.52 0.00 0.00 175.17 175.55 1s08 n GLU 246 N 6.69 2.34 0.02 4.34 1.02 -0.60 -4.13 120.64 130.32 1s08 n GLU 246 Ca -0.08 -3.07 0.03 0.00 -0.02 0.00 0.00 57.16 54.02 1s08 n GLU 246 Cb 0.43 -1.91 0.39 0.00 -0.02 0.00 0.00 31.44 30.33 1s08 n GLU 246 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1s08 h ILE 247 N 1.35 1.14 0.06 -3.67 2.04 -1.86 -1.30 117.51 115.27 1s08 h ILE 247 Ca 0.23 -0.45 -0.34 0.00 1.00 0.00 0.00 64.86 65.29 1s08 h ILE 247 Cb 1.83 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 1s08 h ILE 247 CO 0.48 0.17 -1.98 0.00 0.00 0.00 0.00 178.15 176.82 1s08 n ALA 248 N -2.48 1.21 0.33 1.87 0.00 -1.26 -4.23 120.51 115.95 1s08 n ALA 248 Ca 0.02 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.81 1s08 n ALA 248 Cb 0.15 -0.64 0.11 0.00 0.00 0.00 0.00 19.45 19.07 1s08 n ALA 248 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1s08 h THR 249 N 0.03 0.00 -3.76 0.00 1.35 -1.82 -3.47 112.91 105.24 1s08 h THR 249 Ca -0.40 -0.77 -0.47 0.00 -0.55 0.00 0.00 66.41 64.22 1s08 h THR 249 Cb 2.03 1.40 0.19 0.00 -1.73 0.00 0.00 68.15 70.04 1s08 h THR 249 CO 0.06 0.00 0.14 -0.83 -0.25 0.00 0.00 175.52 174.64 1s08 s GLY 250 N -4.03 1.60 -1.12 5.82 0.00 -0.51 -3.89 107.32 105.19 1s08 s GLY 250 Ca 0.04 0.02 -0.07 0.00 0.00 0.00 0.00 44.72 44.72 1s08 s GLY 250 CO 0.74 0.60 0.86 0.69 0.00 0.00 0.00 173.10 176.00 1s08 n PHE 251 N -4.42 -2.18 -0.24 1.90 3.01 -0.22 -3.89 117.46 111.40 1s08 n PHE 251 Ca 0.06 0.74 0.00 0.00 1.01 0.00 0.00 57.45 59.26 1s08 n PHE 251 Cb 0.54 -4.17 0.00 0.00 -0.01 0.00 0.00 39.48 35.84 1s08 n PHE 251 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s08 n GLY 252 N -1.65 0.73 0.31 1.37 0.00 -0.83 -4.99 105.19 100.13 1s08 n GLY 252 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1s08 n GLY 252 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1s08 h ARG 253 N 4.12 0.74 -0.36 1.61 9.65 -1.68 -2.55 114.38 125.91 1s08 h ARG 253 Ca 0.00 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1s08 h ARG 253 Cb 0.00 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 1s08 h ARG 253 CO 0.00 0.62 0.00 0.25 2.80 0.00 0.00 179.97 183.64 1s08 n THR 254 N -4.34 0.47 0.00 0.20 -2.24 -1.26 -1.39 114.28 105.73 1s08 n THR 254 Ca 0.04 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1s08 n THR 254 Cb 0.16 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1s08 n THR 254 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s08 n GLY 255 N 1.21 2.50 3.69 3.38 0.00 -0.96 -3.63 105.19 111.38 1s08 n GLY 255 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1s08 n GLY 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s08 s LYS 256 N -0.20 2.47 0.13 1.61 1.02 -1.26 -4.96 119.74 118.55 1s08 s LYS 256 Ca 0.00 -1.22 -0.21 0.00 0.02 0.00 0.00 55.97 54.56 1s08 s LYS 256 Cb 0.00 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 1s08 s LYS 256 CO 0.00 0.41 1.67 1.25 -0.92 0.00 0.00 175.35 177.76 1s08 h LEU 257 N 2.11 -0.41 -8.41 3.17 5.85 -1.94 -3.22 115.31 112.46 1s08 h LEU 257 Ca -0.46 0.09 -0.56 0.00 0.84 0.00 0.00 57.88 57.79 1s08 h LEU 257 Cb 1.23 0.21 -0.28 0.00 0.37 0.00 0.00 40.66 42.19 1s08 h LEU 257 CO 0.60 -0.17 -0.84 -0.36 -0.34 0.00 0.00 178.44 177.33 1s08 s PHE 258 N -6.16 1.66 0.37 1.25 0.08 -1.26 -1.06 117.98 112.86 1s08 s PHE 258 Ca -0.14 -0.33 0.39 0.00 0.12 0.00 0.00 56.93 56.96 1s08 s PHE 258 Cb 0.11 -1.03 1.86 0.00 -0.57 0.00 0.00 43.02 43.39 1s08 s PHE 258 CO 0.68 0.02 2.17 0.00 -0.10 0.00 0.00 175.22 177.98 1s08 h ALA 259 N 5.35 1.01 -0.36 5.36 0.00 -1.80 -0.69 119.26 128.14 1s08 h ALA 259 Ca -0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1s08 h ALA 259 Cb 1.15 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1s08 h ALA 259 CO 0.46 0.00 0.16 0.00 0.00 0.00 0.00 179.25 179.88 1s08 h GLU 261 N 0.50 0.00 0.00 0.00 5.08 -1.34 0.36 114.58 119.19 1s08 h GLU 261 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1s08 h GLU 261 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1s08 h GLU 261 CO -0.02 0.00 -0.04 0.45 -1.00 0.00 0.00 179.01 178.41 1s08 h HIS 262 N 0.00 0.00 -0.01 4.33 3.86 -1.50 -2.39 115.15 119.45 1s08 h HIS 262 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1s08 h HIS 262 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 1s08 h HIS 262 CO 0.00 0.04 -0.09 0.00 0.86 0.00 0.00 177.93 178.74 1s08 n ALA 263 N -2.18 2.59 -2.91 2.45 0.00 0.12 -4.83 120.51 115.75 1s08 n ALA 263 Ca -0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 53.44 52.81 1s08 n ALA 263 Cb 0.17 -0.23 0.03 0.00 0.00 0.00 0.00 19.45 19.42 1s08 n ALA 263 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s08 n GLU 264 N -0.08 -4.10 -4.40 0.00 1.02 -0.79 -4.74 120.64 107.55 1s08 n GLU 264 Ca 0.03 0.69 -0.23 0.00 -0.02 0.00 0.00 57.16 57.64 1s08 n GLU 264 Cb 0.15 -5.11 -0.11 0.00 -0.02 0.00 0.00 31.44 26.35 1s08 n GLU 264 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1s08 s ILE 265 N -3.06 2.10 -0.06 -3.67 -5.25 -1.17 -5.02 121.20 105.07 1s08 s ILE 265 Ca 0.26 -2.17 0.06 0.00 -0.99 0.00 0.00 60.65 57.81 1s08 s ILE 265 Cb -0.12 -2.09 -0.01 0.00 2.95 0.00 0.00 42.46 43.20 1s08 s ILE 265 CO 0.33 -0.38 -0.24 0.00 -1.79 0.00 0.00 174.94 172.86 1s08 s ALA 266 N -2.35 2.11 0.78 2.27 0.00 -1.26 -4.47 121.76 118.84 1s08 s ALA 266 Ca 0.23 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1s08 s ALA 266 Cb -0.05 -0.67 0.07 0.00 0.00 0.00 0.00 23.12 22.47 1s08 s ALA 266 CO 0.10 0.39 1.14 -1.25 0.00 0.00 0.00 175.76 176.14 1s08 s PRO 267 N -0.08 2.04 0.12 0.00 0.04 -1.26 -5.00 135.00 130.86 1s08 s PRO 267 Ca -0.05 0.04 0.04 0.00 0.04 0.00 0.00 61.00 61.07 1s08 s PRO 267 Cb -0.14 -2.00 -0.18 0.00 0.04 0.00 0.00 34.50 32.22 1s08 s PRO 267 CO 0.04 -1.51 1.27 -0.44 0.04 0.00 0.00 177.00 176.40 1s08 h ASP 268 N -0.95 0.14 -3.57 6.66 3.32 -1.43 -3.46 116.42 117.14 1s08 h ASP 268 Ca -0.46 -0.14 -0.38 0.00 0.02 0.00 0.00 57.03 56.07 1s08 h ASP 268 Cb 1.32 -0.05 -0.33 0.00 0.22 0.00 0.00 39.33 40.50 1s08 h ASP 268 CO 0.65 1.08 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.85 1s08 s ILE 269 N -2.79 0.46 -0.12 0.35 1.01 -0.66 -3.10 121.20 116.35 1s08 s ILE 269 Ca -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.54 1s08 s ILE 269 Cb 0.09 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 42.10 1s08 s ILE 269 CO 0.84 0.19 -0.16 -0.22 0.00 0.00 0.00 174.94 175.58 1s08 s LEU 270 N 0.70 1.79 -0.14 2.97 2.96 -0.03 -0.25 118.68 126.67 1s08 s LEU 270 Ca -0.09 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1s08 s LEU 270 Cb -0.12 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 1s08 s LEU 270 CO -0.00 0.02 0.04 0.00 -1.32 0.00 0.00 176.35 175.09 1s08 s LEU 272 N -0.26 2.35 -0.33 0.00 1.43 0.33 -1.56 118.68 120.64 1s08 s LEU 272 Ca 0.07 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1s08 s LEU 272 Cb -0.12 -0.24 0.32 0.00 0.03 0.00 0.00 46.19 46.18 1s08 s LEU 272 CO 0.02 -0.25 1.37 0.61 0.23 0.00 0.00 176.35 178.33 1s08 n GLY 273 N 0.89 -1.48 0.00 -3.19 0.00 -1.26 -1.56 105.19 98.59 1s08 n GLY 273 Ca -0.19 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1s08 n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s08 n ALA 275 N 0.66 0.00 -0.25 4.61 0.00 -1.26 -4.74 120.51 119.53 1s08 n ALA 275 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1s08 n ALA 275 Cb 0.75 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.28 1s08 n ALA 275 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s08 h LEU 276 N 0.00 -0.68 -1.56 0.00 5.85 -1.90 0.39 115.31 117.41 1s08 h LEU 276 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1s08 h LEU 276 Cb 0.00 0.45 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1s08 h LEU 276 CO 0.00 -0.24 0.00 0.35 -0.34 0.00 0.00 178.44 178.21 1s08 n THR 277 N -5.48 0.55 -1.23 1.05 -2.24 -1.26 -4.41 114.28 101.26 1s08 n THR 277 Ca 0.10 -0.56 -0.07 0.00 -2.27 0.00 0.00 64.05 61.24 1s08 n THR 277 Cb 0.37 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1s08 n THR 277 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s08 n GLY 278 N 1.18 0.94 2.51 3.38 0.00 0.13 -3.33 105.19 110.00 1s08 n GLY 278 Ca 0.15 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 1s08 n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s08 n GLY 279 N -2.06 -0.13 0.08 -0.02 0.00 -0.86 -4.22 105.19 97.99 1s08 n GLY 279 Ca -0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 1s08 n GLY 279 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s08 n THR 280 N -4.06 1.16 -3.64 2.61 -2.24 -1.21 -4.71 114.28 102.18 1s08 n THR 280 Ca -0.09 -0.77 -0.02 0.00 -2.27 0.00 0.00 64.05 60.89 1s08 n THR 280 Cb 0.59 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 68.33 1s08 n THR 280 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s08 s MET 281 N -2.72 0.67 0.28 -0.78 0.00 -1.26 -5.16 119.30 110.33 1s08 s MET 281 Ca -0.08 -0.34 -0.28 0.00 0.00 0.00 0.00 55.69 54.98 1s08 s MET 281 Cb 0.08 0.25 -0.09 0.00 0.00 0.00 0.00 34.83 35.06 1s08 s MET 281 CO 0.84 -0.31 0.97 -0.08 0.00 0.00 0.00 175.02 176.44 1s08 s THR 282 N -2.77 4.02 -0.16 3.16 -1.32 -1.26 -4.69 115.64 112.62 1s08 s THR 282 Ca 0.12 1.88 -0.30 0.00 -1.21 0.00 0.00 61.69 62.18 1s08 s THR 282 Cb 0.01 -4.14 0.12 0.00 -1.51 0.00 0.00 72.50 66.99 1s08 s THR 282 CO -0.03 0.33 0.97 -0.22 -2.21 0.00 0.00 174.62 173.47 1s08 s LEU 283 N -1.59 -0.40 0.20 9.08 2.96 -1.02 -4.89 118.68 123.02 1s08 s LEU 283 Ca 0.46 0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 54.75 1s08 s LEU 283 Cb -0.24 1.92 -0.02 0.00 0.50 0.00 0.00 46.19 48.35 1s08 s LEU 283 CO 0.30 -0.35 0.28 -0.94 -1.32 0.00 0.00 176.35 174.32 1s08 s SER 284 N -1.03 0.05 -0.11 3.68 1.04 -0.42 -4.54 113.70 112.38 1s08 s SER 284 Ca -0.02 -1.07 -0.14 0.00 0.48 0.00 0.00 55.95 55.20 1s08 s SER 284 Cb -0.01 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1s08 s SER 284 CO 0.02 -0.94 0.38 0.00 0.98 0.00 0.00 173.24 173.67 1s08 s ALA 285 N -4.05 -0.94 -0.18 5.32 0.00 -0.60 -0.74 121.76 120.58 1s08 s ALA 285 Ca 0.26 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1s08 s ALA 285 Cb 0.03 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1s08 s ALA 285 CO 0.06 -0.21 -0.09 0.99 0.00 0.00 0.00 175.76 176.51 1s08 s THR 286 N -0.25 1.43 -0.06 0.00 2.01 0.31 -0.51 115.64 118.57 1s08 s THR 286 Ca -0.04 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 1s08 s THR 286 Cb -0.03 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1s08 s THR 286 CO 0.02 0.21 0.09 -0.76 -0.69 0.00 0.00 174.62 173.50 1s08 s LEU 287 N 1.50 4.04 0.00 4.42 1.02 0.52 -1.17 118.68 129.02 1s08 s LEU 287 Ca 0.01 0.28 0.06 0.00 0.02 0.00 0.00 54.13 54.49 1s08 s LEU 287 Cb -0.15 -2.14 -0.02 0.00 0.02 0.00 0.00 46.19 43.90 1s08 s LEU 287 CO -0.08 0.34 0.25 1.07 0.02 0.00 0.00 176.35 177.94 1s08 n THR 288 N 1.64 0.00 -2.42 5.49 5.66 -0.15 -0.85 114.28 123.65 1s08 n THR 288 Ca -0.16 -1.93 -0.29 0.00 -3.05 0.00 0.00 64.05 58.61 1s08 n THR 288 Cb 0.54 0.98 -0.00 0.00 -1.55 0.00 0.00 70.33 70.29 1s08 n THR 288 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1s08 s THR 289 N -3.07 4.81 0.18 1.09 -4.23 -1.18 -2.31 115.64 110.93 1s08 s THR 289 Ca 0.32 0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 61.22 1s08 s THR 289 Cb 0.01 -3.84 0.07 0.00 1.34 0.00 0.00 72.50 70.09 1s08 s THR 289 CO 0.22 -0.89 1.77 -0.09 -0.54 0.00 0.00 174.62 175.10 1s08 h ARG 290 N 0.24 0.43 -0.25 3.99 2.43 -1.96 -0.73 114.38 118.53 1s08 h ARG 290 Ca -0.46 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 1s08 h ARG 290 Cb 1.20 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.58 1s08 h ARG 290 CO 0.62 0.28 -0.26 1.49 -1.51 0.00 0.00 179.97 180.59 1s08 h GLU 291 N 0.44 -0.26 -0.10 0.20 4.57 -1.94 0.61 114.58 118.11 1s08 h GLU 291 Ca 0.22 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1s08 h GLU 291 Cb 0.16 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1s08 h GLU 291 CO -0.17 -0.17 0.05 0.28 -1.18 0.00 0.00 179.01 177.81 1s08 h VAL 292 N -0.27 1.12 -0.90 0.32 2.07 -1.92 -1.00 116.25 115.68 1s08 h VAL 292 Ca 0.14 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1s08 h VAL 292 Cb 0.48 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1s08 h VAL 292 CO -0.41 0.11 0.60 0.00 0.02 0.00 0.00 177.57 177.89 1s08 h ALA 293 N 0.91 1.37 0.06 1.67 0.00 -0.27 -2.23 119.26 120.76 1s08 h ALA 293 Ca 0.03 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1s08 h ALA 293 Cb 0.13 -0.36 0.02 0.00 0.00 0.00 0.00 17.79 17.58 1s08 h ALA 293 CO -0.00 0.58 -1.12 0.93 0.00 0.00 0.00 179.25 179.64 1s08 h GLU 294 N 1.21 0.55 -0.47 0.00 5.08 0.25 -3.13 114.58 118.07 1s08 h GLU 294 Ca 0.33 -0.68 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1s08 h GLU 294 Cb -0.12 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1s08 h GLU 294 CO -0.08 1.28 0.27 1.15 -1.00 0.00 0.00 179.01 180.63 1s08 h THR 295 N 0.27 1.15 -0.09 1.13 2.02 -0.97 -2.72 112.91 113.70 1s08 h THR 295 Ca -0.14 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1s08 h THR 295 Cb 1.78 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1s08 h THR 295 CO 0.21 0.16 0.05 0.40 0.37 0.00 0.00 175.52 176.71 1s08 h ILE 296 N 0.62 1.01 0.00 3.11 2.04 -1.50 -1.95 117.51 120.84 1s08 h ILE 296 Ca 0.17 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1s08 h ILE 296 Cb 0.02 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1s08 h ILE 296 CO -0.03 0.02 0.00 0.28 0.00 0.00 0.00 178.15 178.42 1s08 h SER 297 N 0.10 0.00 -0.98 1.72 0.02 -1.44 -3.38 113.55 109.59 1s08 h SER 297 Ca 0.03 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.44 1s08 h SER 297 Cb -0.00 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.32 1s08 h SER 297 CO -0.02 0.00 0.67 0.59 -1.14 0.00 0.00 176.83 176.93 1s08 n ASN 298 N -2.44 7.07 -4.93 3.07 3.02 -0.73 -4.94 115.26 115.39 1s08 n ASN 298 Ca -0.01 -3.46 -0.26 0.00 -0.03 0.00 0.00 54.58 50.82 1s08 n ASN 298 Cb 0.07 -1.06 0.06 0.00 -0.61 0.00 0.00 39.78 38.24 1s08 n ASN 298 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s08 s PHE 304 N -3.19 3.39 -1.27 0.00 5.36 -1.26 -4.94 117.98 116.06 1s08 s PHE 304 Ca 0.59 1.42 -0.15 0.00 -0.96 0.00 0.00 56.93 57.83 1s08 s PHE 304 Cb -0.11 -3.18 0.12 0.00 -0.34 0.00 0.00 43.02 39.52 1s08 s PHE 304 CO 0.45 -0.37 1.65 -1.33 -1.46 0.00 0.00 175.22 174.17 1s08 n MET 305 N 5.77 3.29 -3.63 10.12 2.81 -1.26 -4.91 117.12 129.31 1s08 n MET 305 Ca 0.09 -3.51 -0.16 0.00 -1.81 0.00 0.00 57.70 52.32 1s08 n MET 305 Cb 0.47 -3.23 -0.07 0.00 -0.71 0.00 0.00 33.22 29.68 1s08 n MET 305 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1s08 s HIS 306 N 2.61 -0.49 -0.31 2.03 5.04 -1.26 -5.13 115.29 117.78 1s08 s HIS 306 Ca 0.47 0.92 -0.12 0.00 -1.54 0.00 0.00 55.06 54.80 1s08 s HIS 306 Cb 0.02 0.27 0.19 0.00 0.04 0.00 0.00 32.58 33.10 1s08 s HIS 306 CO 0.03 -0.48 1.08 0.20 -2.34 0.00 0.00 174.74 173.23 1s08 s GLY 307 N -0.94 -1.20 0.38 1.59 0.00 -1.26 -5.15 107.32 100.73 1s08 s GLY 307 Ca -0.10 1.80 -0.26 0.00 0.00 0.00 0.00 44.72 46.17 1s08 s GLY 307 CO 0.06 4.23 1.15 -4.14 0.00 0.00 0.00 173.10 174.41 1s08 s PRO 308 N 2.51 4.14 0.26 2.90 0.02 -1.26 -4.94 135.00 138.63 1s08 s PRO 308 Ca 0.23 1.80 -0.01 0.00 0.02 0.00 0.00 61.00 63.04 1s08 s PRO 308 Cb 0.01 -2.73 0.52 0.00 0.02 0.00 0.00 34.50 32.32 1s08 s PRO 308 CO -0.19 -0.23 1.77 1.15 -0.33 0.00 0.00 177.00 179.17 1s08 h THR 309 N 2.41 0.76 -0.56 0.99 2.02 -2.01 -2.39 112.91 114.13 1s08 h THR 309 Ca -0.48 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.39 1s08 h THR 309 Cb 1.23 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1s08 h THR 309 CO 0.63 0.12 0.10 0.49 0.37 0.00 0.00 175.52 177.23 1s08 n PHE 310 N -4.84 1.95 -1.55 3.16 3.01 -1.26 -4.74 117.46 113.20 1s08 n PHE 310 Ca 0.17 -0.81 -0.52 0.00 1.01 0.00 0.00 57.45 57.29 1s08 n PHE 310 Cb 0.41 -0.53 -0.06 0.00 -0.01 0.00 0.00 39.48 39.29 1s08 n PHE 310 CO 0.00 0.00 0.00 -0.12 1.01 0.00 0.00 176.76 177.65 1s08 n MET 311 N 0.28 0.74 -1.03 -1.08 1.56 -0.90 -2.03 117.12 114.65 1s08 n MET 311 Ca 0.29 0.27 -0.01 0.00 -0.27 0.00 0.00 57.70 57.97 1s08 n MET 311 Cb 1.15 -1.76 -0.00 0.00 2.15 0.00 0.00 33.22 34.75 1s08 n MET 311 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1s08 n GLY 312 N 2.03 0.46 2.87 -5.12 0.00 -1.26 -4.17 105.19 99.99 1s08 n GLY 312 Ca 0.18 -0.16 -0.53 0.00 0.00 0.00 0.00 46.02 45.51 1s08 n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s08 n ASN 313 N -0.00 0.77 -0.29 1.61 5.15 -0.86 -4.72 115.26 116.92 1s08 n ASN 313 Ca -0.01 0.72 0.07 0.00 -0.60 0.00 0.00 54.58 54.76 1s08 n ASN 313 Cb 0.15 -0.75 0.22 0.00 -0.53 0.00 0.00 39.78 38.87 1s08 n ASN 313 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1s08 h PRO 314 N 6.29 0.55 0.17 1.20 0.11 -1.87 -0.14 132.00 138.30 1s08 h PRO 314 Ca -0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 1s08 h PRO 314 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1s08 h PRO 314 CO 0.88 0.36 -0.08 1.25 -0.21 0.00 0.00 178.00 180.20 1s08 h LEU 315 N 0.56 -0.19 -1.54 2.35 5.85 -1.66 0.40 115.31 121.09 1s08 h LEU 315 Ca 0.45 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1s08 h LEU 315 Cb 0.67 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1s08 h LEU 315 CO -0.38 -0.00 0.06 0.00 -0.34 0.00 0.00 178.44 177.77 1s08 h ALA 316 N 0.44 1.63 -0.16 1.25 0.00 -1.80 -1.54 119.26 119.08 1s08 h ALA 316 Ca -0.02 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1s08 h ALA 316 Cb 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1s08 h ALA 316 CO 0.04 0.28 -0.64 0.00 0.00 0.00 0.00 179.25 178.93 1s08 h ALA 318 N 0.86 0.72 -0.36 0.00 0.00 -0.22 0.80 119.26 121.06 1s08 h ALA 318 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1s08 h ALA 318 Cb 1.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1s08 h ALA 318 CO 0.12 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.15 1s08 h ALA 319 N 0.90 0.48 -0.64 0.00 0.00 -1.27 -2.25 119.26 116.48 1s08 h ALA 319 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1s08 h ALA 319 Cb 0.77 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1s08 h ALA 319 CO 0.06 0.13 0.37 0.00 0.00 0.00 0.00 179.25 179.81 1s08 h ALA 320 N 0.95 0.82 -0.55 0.00 0.00 -1.04 -1.90 119.26 117.54 1s08 h ALA 320 Ca 0.12 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1s08 h ALA 320 Cb 0.28 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1s08 h ALA 320 CO -0.00 0.31 0.31 -0.91 0.00 0.00 0.00 179.25 178.96 1s08 h ASN 321 N 0.87 0.48 0.20 0.00 2.35 -0.69 -1.38 115.58 117.40 1s08 h ASN 321 Ca 0.23 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 1s08 h ASN 321 Cb 0.01 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1s08 h ASN 321 CO -0.04 0.33 -0.29 0.00 -1.65 0.00 0.00 177.43 175.78 1s08 h ALA 322 N 1.27 1.35 -0.20 -0.83 0.00 -1.21 -1.26 119.26 118.38 1s08 h ALA 322 Ca 0.23 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1s08 h ALA 322 Cb 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1s08 h ALA 322 CO -0.13 0.45 -0.25 1.03 0.00 0.00 0.00 179.25 180.35 1s08 h SER 323 N 0.14 0.56 -0.50 0.00 0.87 -0.98 -2.66 113.55 110.98 1s08 h SER 323 Ca 0.02 -0.50 -0.07 0.00 -1.23 0.00 0.00 61.79 60.01 1s08 h SER 323 Cb 0.59 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1s08 h SER 323 CO 0.04 0.95 0.07 -0.07 -0.53 0.00 0.00 176.83 177.30 1s08 h LEU 324 N 0.18 0.84 -0.90 2.23 3.38 -1.10 -2.78 115.31 117.17 1s08 h LEU 324 Ca 0.02 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1s08 h LEU 324 Cb 0.82 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1s08 h LEU 324 CO 0.06 0.86 0.59 0.00 0.09 0.00 0.00 178.44 180.05 1s08 h ALA 325 N 1.24 1.15 -0.70 1.53 0.00 -1.15 0.67 119.26 121.99 1s08 h ALA 325 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s08 h ALA 325 Cb 0.40 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1s08 h ALA 325 CO 0.01 0.52 0.45 0.82 0.00 0.00 0.00 179.25 181.05 1s08 h ILE 326 N 1.20 1.19 0.00 0.00 2.04 -1.31 -2.58 117.51 118.05 1s08 h ILE 326 Ca 0.33 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1s08 h ILE 326 Cb -0.12 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1s08 h ILE 326 CO -0.08 0.19 -0.34 -0.07 0.00 0.00 0.00 178.15 177.85 1s08 h LEU 327 N 0.96 0.00 -2.20 1.44 3.38 -1.05 -3.07 115.31 114.76 1s08 h LEU 327 Ca 0.26 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.28 1s08 h LEU 327 Cb -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1s08 h LEU 327 CO -0.05 0.34 0.21 -0.33 0.09 0.00 0.00 178.44 178.70 1s08 h GLU 328 N 0.00 0.00 0.00 1.13 5.08 -0.47 -1.79 114.58 118.53 1s08 h GLU 328 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1s08 h GLU 328 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1s08 h GLU 328 CO 0.04 0.00 -0.15 0.66 -1.00 0.00 0.00 179.01 178.56 1s08 h SER 329 N 0.00 0.00 0.00 1.42 4.64 -1.61 -3.47 113.55 114.54 1s08 h SER 329 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1s08 h SER 329 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1s08 h SER 329 CO -0.00 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 1s08 n GLY 330 N -0.73 2.09 0.39 -0.77 0.00 -0.67 -4.92 105.19 100.58 1s08 n GLY 330 Ca -0.02 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.20 1s08 n GLY 330 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s08 h ASP 331 N 0.00 0.18 -0.67 1.61 5.19 -1.84 -1.64 116.42 119.25 1s08 h ASP 331 Ca 0.00 0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.53 1s08 h ASP 331 Cb 0.00 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.44 1s08 h ASP 331 CO 0.00 0.09 0.45 4.11 -3.12 0.00 0.00 179.24 180.77 1s08 h TRP 332 N 0.19 0.50 -0.56 4.55 5.08 -1.88 -1.98 115.95 121.85 1s08 h TRP 332 Ca 0.34 0.01 0.03 0.00 1.08 0.00 0.00 58.89 60.35 1s08 h TRP 332 Cb 1.07 -0.16 -0.04 0.00 -3.00 0.00 0.00 29.16 27.03 1s08 h TRP 332 CO -0.00 0.23 0.34 1.96 -1.28 0.00 0.00 178.44 179.69 1s08 h GLN 333 N 0.46 0.66 -0.16 0.12 4.20 -1.67 0.44 115.11 119.16 1s08 h GLN 333 Ca 0.31 -0.04 -0.22 0.00 0.06 0.00 0.00 58.65 58.76 1s08 h GLN 333 Cb 0.60 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.24 1s08 h GLN 333 CO -0.10 0.43 -0.76 0.37 -0.67 0.00 0.00 178.83 178.11 1s08 h GLN 334 N 0.68 0.77 -0.09 1.46 5.75 -1.60 -1.12 115.11 120.96 1s08 h GLN 334 Ca 0.23 -0.62 -0.00 0.00 -0.15 0.00 0.00 58.65 58.11 1s08 h GLN 334 Cb 0.02 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1s08 h GLN 334 CO -0.10 1.23 0.05 1.96 -2.65 0.00 0.00 178.83 179.32 1s08 h GLN 335 N 0.53 0.12 -0.46 1.69 4.20 -0.88 -0.05 115.11 120.25 1s08 h GLN 335 Ca -0.05 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1s08 h GLN 335 Cb 1.39 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 1s08 h GLN 335 CO 0.16 0.15 0.02 0.28 -0.67 0.00 0.00 178.83 178.77 1s08 h VAL 336 N 0.05 1.26 -0.35 -0.54 2.07 -0.16 -0.84 116.25 117.75 1s08 h VAL 336 Ca 0.03 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1s08 h VAL 336 Cb 0.07 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1s08 h VAL 336 CO -0.01 0.36 0.22 0.00 0.02 0.00 0.00 177.57 178.16 1s08 h ALA 337 N 0.92 0.44 -0.83 1.67 0.00 -1.04 0.93 119.26 121.34 1s08 h ALA 337 Ca 0.13 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1s08 h ALA 337 Cb 0.48 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1s08 h ALA 337 CO 0.02 -0.12 0.53 -0.44 0.00 0.00 0.00 179.25 179.25 1s08 h ASP 338 N 0.45 0.89 -0.66 0.00 3.32 -0.87 -1.37 116.42 118.17 1s08 h ASP 338 Ca 0.13 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1s08 h ASP 338 Cb -0.03 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1s08 h ASP 338 CO -0.04 0.61 0.18 0.40 -1.72 0.00 0.00 179.24 178.67 1s08 h ILE 339 N 1.04 1.26 0.36 0.35 2.04 -0.38 -1.82 117.51 120.35 1s08 h ILE 339 Ca 0.33 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1s08 h ILE 339 Cb 0.00 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1s08 h ILE 339 CO -0.11 0.35 -0.32 -0.08 0.00 0.00 0.00 178.15 177.99 1s08 h GLU 340 N 0.98 -0.67 -0.70 2.37 4.81 -0.00 -0.14 114.58 121.23 1s08 h GLU 340 Ca 0.21 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.55 1s08 h GLU 340 Cb 0.34 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 1s08 h GLU 340 CO -0.00 -0.45 0.39 0.28 -0.73 0.00 0.00 179.01 178.50 1s08 h VAL 341 N -0.70 0.96 -0.67 0.32 2.07 -1.20 -1.47 116.25 115.57 1s08 h VAL 341 Ca -0.02 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1s08 h VAL 341 Cb 0.62 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1s08 h VAL 341 CO -0.04 0.13 0.20 -0.61 0.02 0.00 0.00 177.57 177.27 1s08 h GLN 342 N 0.71 1.05 -0.36 1.57 4.15 -1.03 -1.75 115.11 119.45 1s08 h GLN 342 Ca 0.32 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 1s08 h GLN 342 Cb 0.22 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1s08 h GLN 342 CO -0.20 0.92 0.03 -0.07 -1.93 0.00 0.00 178.83 177.59 1s08 h LEU 343 N 0.98 0.59 0.52 -2.39 3.38 -0.61 -0.42 115.31 117.37 1s08 h LEU 343 Ca 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1s08 h LEU 343 Cb 0.32 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1s08 h LEU 343 CO -0.00 0.73 -0.32 0.03 0.09 0.00 0.00 178.44 178.97 1s08 h ARG 344 N 0.44 -0.76 -0.37 1.13 3.08 -1.15 0.74 114.38 117.49 1s08 h ARG 344 Ca 0.11 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.27 1s08 h ARG 344 Cb 0.40 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 1s08 h ARG 344 CO 0.01 -0.51 0.02 1.49 -1.07 0.00 0.00 179.97 179.91 1s08 h GLU 345 N -0.79 0.12 0.00 0.04 4.81 -1.32 -2.02 114.58 115.42 1s08 h GLU 345 Ca -0.06 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1s08 h GLU 345 Cb 0.65 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1s08 h GLU 345 CO 0.06 0.08 -0.68 1.96 -0.73 0.00 0.00 179.01 179.70 1s08 h GLN 346 N 0.12 0.00 0.00 1.92 4.20 -1.02 -3.29 115.11 117.04 1s08 h GLN 346 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1s08 h GLN 346 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1s08 h GLN 346 CO -0.29 0.11 -0.74 -0.07 -0.67 0.00 0.00 178.83 177.17 1s08 h LEU 347 N 0.00 0.00 -0.67 1.46 3.38 -0.82 -3.40 115.31 115.26 1s08 h LEU 347 Ca -0.02 -0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.01 1s08 h LEU 347 Cb 1.14 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 1s08 h LEU 347 CO 0.02 0.04 0.14 0.00 0.09 0.00 0.00 178.44 178.72 1s08 h ALA 348 N 2.18 0.82 -0.78 1.53 0.00 -1.43 -0.86 119.26 120.72 1s08 h ALA 348 Ca 0.00 0.16 0.22 0.00 0.00 0.00 0.00 54.91 55.29 1s08 h ALA 348 Cb 0.91 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1s08 h ALA 348 CO 0.00 -0.33 0.56 -1.35 0.00 0.00 0.00 179.25 178.13 1s08 h PRO 349 N 0.25 0.01 0.00 0.00 0.11 -1.79 0.19 132.00 130.76 1s08 h PRO 349 Ca 0.37 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.46 1s08 h PRO 349 Cb 0.59 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 1s08 h PRO 349 CO -0.47 0.01 -0.09 0.00 -0.21 0.00 0.00 178.00 177.24 1s08 h ALA 350 N 1.61 1.40 -0.01 -0.75 0.00 -1.44 -0.76 119.26 119.31 1s08 h ALA 350 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1s08 h ALA 350 Cb 1.48 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1s08 h ALA 350 CO -0.01 0.11 0.14 0.00 0.00 0.00 0.00 179.25 179.49 1s08 h ARG 351 N 0.00 0.00 0.00 0.00 3.08 -0.73 -1.84 114.38 114.89 1s08 h ARG 351 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s08 h ARG 351 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1s08 h ARG 351 CO 0.01 0.00 -1.18 -0.25 -1.07 0.00 0.00 179.97 177.48 1s08 n ASP 352 N -3.08 0.58 -4.76 7.04 8.00 -0.29 -4.97 116.55 119.07 1s08 n ASP 352 Ca -0.02 0.03 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1s08 n ASP 352 Cb 0.20 0.87 0.02 0.00 -0.02 0.00 0.00 41.12 42.19 1s08 n ASP 352 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s08 s ALA 353 N -3.31 2.70 0.31 2.24 0.00 -0.69 -4.97 121.76 118.04 1s08 s ALA 353 Ca 0.00 0.98 0.04 0.00 0.00 0.00 0.00 51.96 52.98 1s08 s ALA 353 Cb 0.13 -3.42 0.53 0.00 0.00 0.00 0.00 23.12 20.35 1s08 s ALA 353 CO 0.81 -0.97 1.80 1.49 0.00 0.00 0.00 175.76 178.90 1s08 h GLU 354 N 1.27 0.47 0.00 0.00 4.22 -1.84 -3.17 114.58 115.54 1s08 h GLU 354 Ca -0.50 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 58.80 1s08 h GLU 354 Cb 1.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1s08 h GLU 354 CO 0.57 0.60 0.00 -1.33 -2.18 0.00 0.00 179.01 176.67 1s08 n MET 355 N -4.20 0.21 -3.53 1.92 2.81 -1.26 -4.86 117.12 108.21 1s08 n MET 355 Ca 0.00 0.03 -0.37 0.00 -1.81 0.00 0.00 57.70 55.54 1s08 n MET 355 Cb 0.33 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.27 1s08 n MET 355 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1s08 s VAL 356 N -2.77 5.17 -0.19 2.03 1.01 -1.20 -1.87 120.40 122.58 1s08 s VAL 356 Ca 0.20 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.94 1s08 s VAL 356 Cb 0.18 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.75 1s08 s VAL 356 CO 0.46 0.51 -0.12 0.00 0.00 0.00 0.00 175.10 175.95 1s08 n ALA 357 N 2.47 1.58 -3.54 5.51 0.00 0.34 -4.72 120.51 122.15 1s08 n ALA 357 Ca -0.13 -0.92 -0.15 0.00 0.00 0.00 0.00 53.44 52.24 1s08 n ALA 357 Cb 0.52 -0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1s08 n ALA 357 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s08 s ASP 358 N -5.69 -0.65 -0.10 0.00 2.15 -0.58 -4.99 116.67 106.81 1s08 s ASP 358 Ca -0.22 1.16 0.04 0.00 0.43 0.00 0.00 52.55 53.96 1s08 s ASP 358 Cb 0.06 1.15 0.00 0.00 -0.30 0.00 0.00 42.92 43.83 1s08 s ASP 358 CO 0.52 -0.30 -0.24 -0.69 -0.17 0.00 0.00 175.17 174.29 1s08 s VAL 359 N 0.01 2.04 -0.08 1.11 1.01 -1.26 0.89 120.40 124.11 1s08 s VAL 359 Ca -0.02 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1s08 s VAL 359 Cb -0.04 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.61 1s08 s VAL 359 CO 0.03 0.55 0.19 0.00 0.00 0.00 0.00 175.10 175.87 1s08 s ARG 360 N 0.37 0.18 0.01 2.72 1.70 -0.23 -5.01 118.95 118.68 1s08 s ARG 360 Ca -0.18 0.37 0.04 0.00 -0.47 0.00 0.00 55.73 55.49 1s08 s ARG 360 Cb -0.18 -0.05 -0.01 0.00 -0.57 0.00 0.00 34.95 34.14 1s08 s ARG 360 CO 0.08 -0.11 -0.14 0.08 -1.08 0.00 0.00 175.30 174.14 1s08 s VAL 361 N 0.76 1.08 -0.15 4.99 1.01 -1.26 -1.20 120.40 125.63 1s08 s VAL 361 Ca -0.05 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1s08 s VAL 361 Cb -0.07 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.45 1s08 s VAL 361 CO -0.04 0.19 0.31 -0.22 0.00 0.00 0.00 175.10 175.34 1s08 s LEU 362 N -0.61 -0.26 0.00 3.92 2.96 -0.90 -4.94 118.68 118.85 1s08 s LEU 362 Ca 0.04 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 1s08 s LEU 362 Cb -0.06 0.92 0.00 0.00 0.50 0.00 0.00 46.19 47.55 1s08 s LEU 362 CO 0.00 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 1s08 n GLY 363 N 5.10 3.30 2.12 7.98 0.00 -1.24 -1.69 105.19 120.76 1s08 n GLY 363 Ca -0.11 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1s08 n GLY 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s08 n ALA 364 N 10.60 5.75 -4.02 4.61 0.00 -0.48 -3.46 120.51 133.51 1s08 n ALA 364 Ca 0.00 -2.60 -0.31 0.00 0.00 0.00 0.00 53.44 50.53 1s08 n ALA 364 Cb 0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 19.45 17.71 1s08 n ALA 364 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1s08 s ILE 365 N -3.60 1.74 -0.21 0.00 1.01 -0.68 -4.04 121.20 115.41 1s08 s ILE 365 Ca 0.49 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1s08 s ILE 365 Cb 0.38 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 41.12 1s08 s ILE 365 CO -0.01 0.24 -0.16 -0.83 0.00 0.00 0.00 174.94 174.18 1s08 s GLY 366 N 1.36 1.49 -0.10 6.18 0.00 0.06 -2.11 107.32 114.20 1s08 s GLY 366 Ca -0.00 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.33 1s08 s GLY 366 CO -0.09 0.40 -0.22 0.14 0.00 0.00 0.00 173.10 173.34 1s08 s VAL 367 N 1.23 2.28 -0.31 1.40 1.01 -0.34 0.05 120.40 125.72 1s08 s VAL 367 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1s08 s VAL 367 Cb -0.16 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.40 1s08 s VAL 367 CO -0.10 0.55 -0.00 -0.69 0.00 0.00 0.00 175.10 174.86 1s08 s VAL 368 N 0.32 2.68 -0.05 2.92 1.01 -0.43 -1.06 120.40 125.80 1s08 s VAL 368 Ca -0.17 -1.67 -0.15 0.00 0.00 0.00 0.00 61.98 60.00 1s08 s VAL 368 Cb -0.17 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1s08 s VAL 368 CO 0.08 -0.22 0.40 -0.70 0.00 0.00 0.00 175.10 174.67 1s08 s GLU 369 N 1.15 4.03 0.43 2.72 2.12 0.26 -1.60 118.70 127.80 1s08 s GLU 369 Ca -0.03 0.37 0.07 0.00 0.36 0.00 0.00 54.97 55.75 1s08 s GLU 369 Cb -0.20 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1s08 s GLU 369 CO -0.04 0.53 0.34 0.95 -0.54 0.00 0.00 175.26 176.51 1s08 s THR 370 N -0.54 2.50 -0.07 -1.70 -4.23 0.42 0.13 115.64 112.14 1s08 s THR 370 Ca 0.23 -1.43 0.14 0.00 -1.18 0.00 0.00 61.69 59.45 1s08 s THR 370 Cb -0.16 -2.92 -0.13 0.00 1.34 0.00 0.00 72.50 70.63 1s08 s THR 370 CO 0.11 0.00 0.98 0.71 -0.54 0.00 0.00 174.62 175.88 1s08 h THR 371 N 1.08 0.85 -3.48 3.99 1.35 -1.66 -3.40 112.91 111.64 1s08 h THR 371 Ca -0.41 -2.44 -0.53 0.00 -0.55 0.00 0.00 66.41 62.48 1s08 h THR 371 Cb 1.27 2.33 -0.19 0.00 -1.73 0.00 0.00 68.15 69.83 1s08 h THR 371 CO 0.60 0.48 -0.79 -1.00 -0.25 0.00 0.00 175.52 174.56 1s08 s HIS 372 N -2.82 1.80 0.82 4.73 3.76 -1.26 -5.09 115.29 117.24 1s08 s HIS 372 Ca -0.01 -0.46 -0.10 0.00 -0.15 0.00 0.00 55.06 54.34 1s08 s HIS 372 Cb 0.08 -0.92 0.09 0.00 1.11 0.00 0.00 32.58 32.94 1s08 s HIS 372 CO 0.80 0.29 1.11 -2.14 -0.85 0.00 0.00 174.74 173.96 1s08 s PRO 373 N -2.55 1.80 0.49 8.40 0.02 -1.26 -4.66 135.00 137.23 1s08 s PRO 373 Ca 0.13 1.32 -0.05 0.00 0.02 0.00 0.00 61.00 62.42 1s08 s PRO 373 Cb -0.07 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1s08 s PRO 373 CO 0.06 -2.01 0.79 0.14 -0.33 0.00 0.00 177.00 175.65 1s08 s VAL 374 N -2.79 4.85 -0.74 3.83 -7.23 -0.16 0.32 120.40 118.48 1s08 s VAL 374 Ca 0.63 0.19 -0.16 0.00 -1.81 0.00 0.00 61.98 60.84 1s08 s VAL 374 Cb -0.19 -3.85 0.17 0.00 0.56 0.00 0.00 36.38 33.07 1s08 s VAL 374 CO 0.56 -0.83 0.74 0.21 -0.31 0.00 0.00 175.10 175.47 1s08 s ASN 375 N -4.12 6.52 0.11 4.85 3.84 -0.94 -4.41 114.94 120.79 1s08 s ASN 375 Ca 0.48 -2.20 -0.24 0.00 0.21 0.00 0.00 52.86 51.11 1s08 s ASN 375 Cb -0.10 -2.25 -0.07 0.00 -0.55 0.00 0.00 41.25 38.28 1s08 s ASN 375 CO 0.45 -0.79 1.40 0.24 -2.79 0.00 0.00 177.10 175.61 1s08 h MET 376 N 8.39 -0.16 -0.90 0.43 2.86 -1.92 -1.15 114.93 122.48 1s08 h MET 376 Ca -0.04 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1s08 h MET 376 Cb 1.06 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.70 1s08 h MET 376 CO 0.92 -0.11 0.58 0.00 1.06 0.00 0.00 176.91 179.37 1s08 h ALA 377 N -0.17 1.49 -0.02 6.32 0.00 -1.98 -1.55 119.26 123.35 1s08 h ALA 377 Ca 0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1s08 h ALA 377 Cb 0.38 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1s08 h ALA 377 CO -0.55 0.40 -0.29 0.00 0.00 0.00 0.00 179.25 178.81 1s08 h ALA 378 N 1.50 0.07 -0.36 0.00 0.00 -1.82 -2.87 119.26 115.78 1s08 h ALA 378 Ca 0.37 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1s08 h ALA 378 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1s08 h ALA 378 CO -0.13 0.13 -0.08 1.25 0.00 0.00 0.00 179.25 180.42 1s08 h LEU 379 N -0.36 0.58 -0.45 0.00 5.85 -1.13 -2.04 115.31 117.77 1s08 h LEU 379 Ca -0.03 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1s08 h LEU 379 Cb 1.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1s08 h LEU 379 CO 0.06 0.71 0.13 -0.61 -0.34 0.00 0.00 178.44 178.38 1s08 h GLN 380 N 0.56 0.71 -0.67 1.25 5.75 -1.33 -0.27 115.11 121.12 1s08 h GLN 380 Ca 0.11 -0.16 -0.08 0.00 -0.15 0.00 0.00 58.65 58.36 1s08 h GLN 380 Cb 0.48 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1s08 h GLN 380 CO 0.03 0.70 0.09 -0.22 -2.65 0.00 0.00 178.83 176.78 1s08 h LYS 381 N 0.60 1.11 -0.30 1.69 3.64 -1.35 -0.59 116.57 121.37 1s08 h LYS 381 Ca 0.14 -0.31 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1s08 h LYS 381 Cb 0.29 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1s08 h LYS 381 CO -0.00 1.02 0.17 0.35 -2.27 0.00 0.00 179.45 178.72 1s08 h PHE 382 N 1.03 0.32 0.16 1.91 3.57 -0.98 -0.29 116.94 122.67 1s08 h PHE 382 Ca 0.20 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1s08 h PHE 382 Cb 0.46 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1s08 h PHE 382 CO 0.03 0.19 -0.16 0.74 -2.23 0.00 0.00 178.31 176.88 1s08 h PHE 383 N 0.35 -0.42 -0.65 0.41 0.05 -0.65 -1.44 116.94 114.58 1s08 h PHE 383 Ca 0.12 0.00 0.12 0.00 3.82 0.00 0.00 57.97 62.03 1s08 h PHE 383 Cb 0.00 0.17 -0.04 0.00 2.00 0.00 0.00 35.95 38.08 1s08 h PHE 383 CO -0.08 -0.25 0.44 0.28 -0.18 0.00 0.00 178.31 178.53 1s08 h VAL 384 N -0.36 0.84 0.00 -0.55 2.07 -0.86 0.32 116.25 117.72 1s08 h VAL 384 Ca 0.00 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1s08 h VAL 384 Cb 0.34 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1s08 h VAL 384 CO -0.04 0.07 -0.47 -0.33 0.02 0.00 0.00 177.57 176.81 1s08 h GLU 385 N 0.38 0.00 -0.00 1.57 5.08 -0.21 -2.03 114.58 119.37 1s08 h GLU 385 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1s08 h GLU 385 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1s08 h GLU 385 CO -0.09 0.47 0.00 1.04 -1.00 0.00 0.00 179.01 179.44 1s08 n GLN 386 N -3.89 1.00 -1.83 2.33 1.13 0.07 -4.89 117.38 111.30 1s08 n GLN 386 Ca -0.01 -0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.94 1s08 n GLN 386 Cb 0.50 -1.27 -0.02 0.00 0.11 0.00 0.00 30.24 29.57 1s08 n GLN 386 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s08 n GLY 387 N 0.77 0.43 3.12 1.08 0.00 -0.76 -5.01 105.19 104.81 1s08 n GLY 387 Ca 0.13 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 1s08 n GLY 387 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s08 s VAL 388 N -2.44 0.89 -0.43 1.61 -7.23 -1.00 -1.40 120.40 110.39 1s08 s VAL 388 Ca 0.00 -1.10 -0.12 0.00 -1.81 0.00 0.00 61.98 58.95 1s08 s VAL 388 Cb 0.00 -0.87 0.07 0.00 0.56 0.00 0.00 36.38 36.14 1s08 s VAL 388 CO 0.00 -0.20 0.31 0.86 -0.31 0.00 0.00 175.10 175.76 1s08 s TRP 389 N -1.13 3.29 -0.06 2.82 -0.11 0.17 -3.23 118.94 120.67 1s08 s TRP 389 Ca -0.03 -1.19 0.00 0.00 1.22 0.00 0.00 56.10 56.10 1s08 s TRP 389 Cb -0.09 -2.97 0.02 0.00 -1.50 0.00 0.00 33.47 28.94 1s08 s TRP 389 CO 0.01 -0.79 -0.04 0.42 -4.62 0.00 0.00 176.95 171.93 1s08 s ILE 390 N 1.54 0.58 -0.42 5.86 1.01 -1.26 -0.79 121.20 127.71 1s08 s ILE 390 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 1s08 s ILE 390 Cb -0.23 -0.64 0.11 0.00 0.01 0.00 0.00 42.46 41.71 1s08 s ILE 390 CO 0.05 0.26 0.20 -0.60 0.00 0.00 0.00 174.94 174.85 1s08 s ARG 391 N 1.32 1.96 0.59 2.79 6.06 -1.26 -4.85 118.95 125.56 1s08 s ARG 391 Ca -0.04 -1.94 -0.13 0.00 -2.50 0.00 0.00 55.73 51.11 1s08 s ARG 391 Cb -0.14 -3.52 -0.05 0.00 0.06 0.00 0.00 34.95 31.31 1s08 s ARG 391 CO -0.02 -1.06 1.02 -1.25 -2.50 0.00 0.00 175.30 171.49 1s08 s PRO 392 N 0.91 3.60 -0.14 5.12 0.04 -1.26 -4.83 135.00 138.44 1s08 s PRO 392 Ca 0.10 0.88 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 1s08 s PRO 392 Cb -0.22 -2.08 0.07 0.00 0.04 0.00 0.00 34.50 32.31 1s08 s PRO 392 CO -0.05 -0.56 0.20 0.12 0.04 0.00 0.00 177.00 176.75 1s08 s PHE 393 N -2.92 -0.24 0.00 0.56 5.36 -0.94 -5.03 117.98 114.77 1s08 s PHE 393 Ca 0.57 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.05 1s08 s PHE 393 Cb -0.11 -0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.30 1s08 s PHE 393 CO 0.45 -0.41 0.00 0.41 -1.46 0.00 0.00 175.22 174.21 1s08 n GLY 394 N 5.33 2.21 1.33 13.12 0.00 -1.26 -1.87 105.19 124.05 1s08 n GLY 394 Ca -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1s08 n GLY 394 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s08 n LYS 395 N 5.48 2.59 -4.30 1.61 5.02 -1.26 -0.99 118.16 126.31 1s08 n LYS 395 Ca 0.00 -3.04 -0.28 0.00 -2.02 0.00 0.00 58.31 52.97 1s08 n LYS 395 Cb 0.00 -1.94 -0.17 0.00 -0.02 0.00 0.00 35.03 32.91 1s08 n LYS 395 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s08 s LEU 396 N -3.07 1.60 -0.28 -0.35 1.43 -0.78 -0.43 118.68 116.80 1s08 s LEU 396 Ca 0.47 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1s08 s LEU 396 Cb 0.40 -1.02 0.04 0.00 0.03 0.00 0.00 46.19 45.64 1s08 s LEU 396 CO 0.06 -0.02 -0.01 -0.63 0.23 0.00 0.00 176.35 175.98 1s08 s ILE 397 N 1.16 3.03 0.09 -0.59 1.01 -0.63 -2.22 121.20 123.06 1s08 s ILE 397 Ca -0.04 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.42 1s08 s ILE 397 Cb -0.14 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1s08 s ILE 397 CO -0.04 -0.00 -0.09 -0.72 0.00 0.00 0.00 174.94 174.10 1s08 s TYR 398 N 1.29 0.97 -0.03 3.97 -0.85 -1.26 -1.31 117.35 120.14 1s08 s TYR 398 Ca -0.03 -0.71 0.07 0.00 -0.52 0.00 0.00 57.07 55.88 1s08 s TYR 398 Cb -0.19 -0.54 -0.02 0.00 0.38 0.00 0.00 41.96 41.60 1s08 s TYR 398 CO -0.02 -0.05 -0.24 -0.51 -1.52 0.00 0.00 175.55 173.22 1s08 s LEU 399 N -2.52 2.04 -0.44 -3.49 1.43 0.11 -4.74 118.68 111.08 1s08 s LEU 399 Ca 0.05 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1s08 s LEU 399 Cb -0.01 -1.24 0.24 0.00 0.03 0.00 0.00 46.19 45.21 1s08 s LEU 399 CO -0.01 0.27 0.70 1.15 0.23 0.00 0.00 176.35 178.69 1s08 n MET 400 N 2.65 0.74 -1.74 1.70 0.00 0.54 -0.76 117.12 120.25 1s08 n MET 400 Ca -0.16 -2.49 -0.30 0.00 0.00 0.00 0.00 57.70 54.75 1s08 n MET 400 Cb 0.52 -1.34 0.08 0.00 0.00 0.00 0.00 33.22 32.48 1s08 n MET 400 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1s08 s PRO 401 N -0.26 2.32 0.58 3.17 0.04 -1.12 -3.08 135.00 136.65 1s08 s PRO 401 Ca 0.34 0.46 -0.19 0.00 0.04 0.00 0.00 61.00 61.64 1s08 s PRO 401 Cb 0.20 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1s08 s PRO 401 CO -0.18 -1.41 1.19 -2.14 0.04 0.00 0.00 177.00 174.49 1s08 s PRO 402 N -5.31 3.09 0.54 0.56 0.02 -1.26 -4.85 135.00 127.79 1s08 s PRO 402 Ca 0.60 1.77 0.32 0.00 0.02 0.00 0.00 61.00 63.71 1s08 s PRO 402 Cb -0.12 -1.95 1.48 0.00 0.02 0.00 0.00 34.50 33.92 1s08 s PRO 402 CO 0.52 -1.10 2.04 1.88 -0.33 0.00 0.00 177.00 180.02 1s08 h TYR 403 N 0.99 0.00 -0.18 6.54 0.05 -1.26 -1.94 116.97 121.17 1s08 h TYR 403 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.28 1s08 h TYR 403 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1s08 h TYR 403 CO 0.48 0.08 0.00 0.44 -1.05 0.00 0.00 178.16 178.11 1s08 n ILE 404 N -3.31 0.24 -1.73 -2.88 -5.35 -1.26 -4.75 119.36 100.32 1s08 n ILE 404 Ca -0.01 -0.31 -0.42 0.00 -0.27 0.00 0.00 62.75 61.74 1s08 n ILE 404 Cb 0.27 0.22 -0.02 0.00 -1.74 0.00 0.00 39.64 38.37 1s08 n ILE 404 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1s08 n ILE 405 N 0.17 0.95 -2.74 7.28 3.06 -0.73 -4.96 119.36 122.39 1s08 n ILE 405 Ca 0.14 -0.24 -0.34 0.00 -2.50 0.00 0.00 62.75 59.81 1s08 n ILE 405 Cb 0.26 -1.85 -0.06 0.00 0.54 0.00 0.00 39.64 38.54 1s08 n ILE 405 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 1s08 s LEU 406 N -0.24 3.99 0.42 9.51 1.43 -1.26 -4.86 118.68 127.68 1s08 s LEU 406 Ca 0.66 1.79 0.19 0.00 -1.03 0.00 0.00 54.13 55.73 1s08 s LEU 406 Cb -0.53 -4.45 1.12 0.00 0.03 0.00 0.00 46.19 42.36 1s08 s LEU 406 CO 0.48 -0.42 1.85 -0.65 0.23 0.00 0.00 176.35 177.84 1s08 h PRO 407 N 2.06 0.36 -0.35 1.29 0.11 -1.99 0.90 132.00 134.38 1s08 h PRO 407 Ca -0.49 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1s08 h PRO 407 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1s08 h PRO 407 CO 0.61 0.24 0.02 0.37 -0.21 0.00 0.00 178.00 179.03 1s08 h GLN 408 N 0.38 0.61 -0.28 1.05 -0.00 -1.99 -1.04 115.11 113.84 1s08 h GLN 408 Ca 0.48 -0.19 -0.03 0.00 -0.00 0.00 0.00 58.65 58.91 1s08 h GLN 408 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 1s08 h GLN 408 CO -0.18 0.71 0.04 1.96 0.00 0.00 0.00 178.83 181.37 1s08 h GLN 409 N 0.43 0.46 -0.96 1.69 4.20 -1.30 -2.37 115.11 117.26 1s08 h GLN 409 Ca 0.10 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1s08 h GLN 409 Cb 0.43 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 1s08 h GLN 409 CO 0.01 0.58 0.63 1.25 -0.67 0.00 0.00 178.83 180.64 1s08 h LEU 410 N 0.27 1.07 -1.17 1.46 5.85 -0.87 -1.06 115.31 120.86 1s08 h LEU 410 Ca 0.08 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1s08 h LEU 410 Cb 0.35 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1s08 h LEU 410 CO 0.01 0.74 0.13 -0.61 -0.34 0.00 0.00 178.44 178.37 1s08 h GLN 411 N 1.24 0.71 -0.30 1.25 4.15 -1.03 -1.68 115.11 119.45 1s08 h GLN 411 Ca 0.37 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.62 1s08 h GLN 411 Cb -0.05 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1s08 h GLN 411 CO -0.10 0.64 -0.02 0.00 -1.93 0.00 0.00 178.83 177.42 1s08 h ARG 412 N 0.69 0.47 -0.04 1.69 3.08 -0.66 -1.33 114.38 118.28 1s08 h ARG 412 Ca 0.16 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1s08 h ARG 412 Cb 0.24 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1s08 h ARG 412 CO -0.01 0.51 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.26 1s08 h LEU 413 N 0.45 0.13 -0.73 3.04 3.38 -1.01 -2.51 115.31 118.06 1s08 h LEU 413 Ca 0.10 -0.55 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 1s08 h LEU 413 Cb 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1s08 h LEU 413 CO 0.01 0.66 -0.31 0.71 0.09 0.00 0.00 178.44 179.60 1s08 h THR 414 N -0.39 1.28 -0.73 0.22 1.35 -1.29 -1.63 112.91 111.72 1s08 h THR 414 Ca 0.00 -1.42 0.03 0.00 -0.55 0.00 0.00 66.41 64.47 1s08 h THR 414 Cb 0.63 1.39 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 1s08 h THR 414 CO 0.02 0.46 0.47 0.00 -0.25 0.00 0.00 175.52 176.21 1s08 h ALA 415 N 1.13 0.95 -0.47 6.62 0.00 -1.28 -0.42 119.26 125.79 1s08 h ALA 415 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1s08 h ALA 415 Cb 0.80 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1s08 h ALA 415 CO 0.07 0.26 -0.02 0.00 0.00 0.00 0.00 179.25 179.56 1s08 h ALA 416 N 1.30 0.64 -0.16 0.00 0.00 -1.09 -1.87 119.26 118.09 1s08 h ALA 416 Ca 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1s08 h ALA 416 Cb -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1s08 h ALA 416 CO -0.10 0.46 0.05 0.28 0.00 0.00 0.00 179.25 179.93 1s08 h VAL 417 N 0.70 1.19 -0.25 0.00 2.07 -1.08 -1.43 116.25 117.45 1s08 h VAL 417 Ca 0.13 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1s08 h VAL 417 Cb 0.53 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1s08 h VAL 417 CO 0.03 0.18 0.16 0.78 0.02 0.00 0.00 177.57 178.74 1s08 h ASN 418 N 0.07 0.29 0.57 0.57 2.35 -1.02 -1.75 115.58 116.66 1s08 h ASN 418 Ca 0.05 -0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.57 1s08 h ASN 418 Cb 0.23 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1s08 h ASN 418 CO -0.00 0.21 -0.98 -0.09 -1.65 0.00 0.00 177.43 174.92 1s08 h ARG 419 N 0.34 0.25 -0.15 0.81 2.43 -1.15 -3.24 114.38 113.67 1s08 h ARG 419 Ca 0.09 -0.31 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 1s08 h ARG 419 Cb -0.03 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1s08 h ARG 419 CO -0.02 1.05 -0.32 0.00 -1.51 0.00 0.00 179.97 179.17 1s08 h ALA 420 N 0.83 1.18 -0.63 2.80 0.00 -0.35 -2.81 119.26 120.28 1s08 h ALA 420 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1s08 h ALA 420 Cb 1.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1s08 h ALA 420 CO 0.16 0.54 0.00 1.33 0.00 0.00 0.00 179.25 181.27 1s08 n VAL 421 N -4.09 1.02 0.17 0.00 0.24 -1.06 -4.32 118.33 110.28 1s08 n VAL 421 Ca -0.01 -0.89 0.03 0.00 -2.04 0.00 0.00 64.34 61.42 1s08 n VAL 421 Cb 0.42 0.35 0.28 0.00 -1.47 0.00 0.00 33.84 33.42 1s08 n VAL 421 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1s08 h GLN 422 N 3.71 0.00 -3.59 7.34 1.08 -1.52 -3.35 115.11 118.78 1s08 h GLN 422 Ca 0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 1s08 h GLN 422 Cb 0.95 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.35 1s08 h GLN 422 CO 0.05 0.47 0.04 0.16 -0.95 0.00 0.00 178.83 178.59 1s08 s ASP 423 N -6.63 0.52 -0.01 1.46 3.84 -1.26 -4.68 116.67 109.90 1s08 s ASP 423 Ca -0.01 -1.35 0.04 0.00 -0.00 0.00 0.00 52.55 51.24 1s08 s ASP 423 Cb 0.12 0.76 0.14 0.00 -1.38 0.00 0.00 42.92 42.57 1s08 s ASP 423 CO 0.72 -1.51 1.02 -1.84 -0.00 0.00 0.00 175.17 173.56 1s08 n GLU 424 N -0.56 1.48 -0.31 2.11 0.00 -1.26 -4.17 120.64 117.93 1s08 n GLU 424 Ca -0.04 -0.58 0.12 0.00 0.00 0.00 0.00 57.16 56.67 1s08 n GLU 424 Cb 0.61 -1.27 0.29 0.00 0.00 0.00 0.00 31.44 31.07 1s08 n GLU 424 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1s08 h THR 425 N 0.88 0.56 -0.46 3.84 2.02 -1.96 -2.48 112.91 115.30 1s08 h THR 425 Ca 0.00 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 1s08 h THR 425 Cb 0.37 0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 66.73 1s08 h THR 425 CO 0.03 0.09 0.08 0.49 0.37 0.00 0.00 175.52 176.58 1s08 n PHE 426 N -4.97 1.54 -4.44 3.16 0.99 -1.26 -5.01 117.46 107.47 1s08 n PHE 426 Ca 0.21 -1.18 -0.29 0.00 -0.00 0.00 0.00 57.45 56.19 1s08 n PHE 426 Cb 0.60 -0.50 -0.13 0.00 -1.00 0.00 0.00 39.48 38.45 1s08 n PHE 426 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1s08 s PHE 427 N -3.00 2.32 0.00 1.38 0.40 -0.94 -2.22 117.98 115.93 1s08 s PHE 427 Ca 0.48 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 1s08 s PHE 427 Cb 0.39 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.66 1s08 s PHE 427 CO 0.08 0.32 0.00 0.00 0.70 0.00 0.00 175.22 176.32