#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uan s LEU 2 N 0.00 2.90 0.18 3.17 1.43 -0.65 -4.92 118.68 120.79 1uan s LEU 2 Ca 0.00 -0.59 0.10 0.00 -1.03 0.00 0.00 54.13 52.61 1uan s LEU 2 Cb 0.00 -1.61 -0.08 0.00 0.03 0.00 0.00 46.19 44.53 1uan s LEU 2 CO 0.00 0.12 1.36 0.44 0.23 0.00 0.00 176.35 178.49 1uan h ASP 3 N 3.05 0.00 -2.75 2.29 5.19 -0.59 -1.51 116.42 122.11 1uan h ASP 3 Ca -0.47 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.84 1uan h ASP 3 Cb 1.20 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.44 1uan h ASP 3 CO 0.53 0.81 -0.34 -0.22 -3.12 0.00 0.00 179.24 176.90 1uan s LEU 4 N -6.67 -0.48 -0.05 1.55 2.96 -1.05 -2.13 118.68 112.81 1uan s LEU 4 Ca 0.02 0.97 0.05 0.00 -0.22 0.00 0.00 54.13 54.95 1uan s LEU 4 Cb 0.09 1.37 -0.01 0.00 0.50 0.00 0.00 46.19 48.15 1uan s LEU 4 CO 0.79 -0.22 -0.20 -0.22 -1.32 0.00 0.00 176.35 175.18 1uan s LEU 5 N 2.21 1.97 -0.26 -0.68 2.96 -0.18 -1.84 118.68 122.86 1uan s LEU 5 Ca -0.04 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 1uan s LEU 5 Cb -0.11 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 1uan s LEU 5 CO -0.13 0.19 0.11 -0.69 -1.32 0.00 0.00 176.35 174.51 1uan s VAL 6 N -0.02 4.61 -0.18 1.68 1.01 -0.37 -0.48 120.40 126.65 1uan s VAL 6 Ca -0.04 -0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1uan s VAL 6 Cb -0.13 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1uan s VAL 6 CO 0.03 0.30 0.56 -0.69 0.00 0.00 0.00 175.10 175.29 1uan s VAL 7 N 1.66 5.09 0.06 2.92 1.01 0.22 -0.66 120.40 130.69 1uan s VAL 7 Ca 0.06 1.05 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1uan s VAL 7 Cb -0.15 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1uan s VAL 7 CO 0.06 0.18 -0.16 0.00 0.00 0.00 0.00 175.10 175.18 1uan s ALA 8 N 1.55 1.33 0.12 5.51 0.00 -0.44 -4.11 121.76 125.71 1uan s ALA 8 Ca 0.26 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 51.15 1uan s ALA 8 Cb -0.16 -0.19 -0.08 0.00 0.00 0.00 0.00 23.12 22.69 1uan s ALA 8 CO 0.10 0.25 1.41 -1.00 0.00 0.00 0.00 175.76 176.52 1uan h PRO 9 N 4.65 0.84 -3.96 0.00 0.13 -1.90 0.19 132.00 131.95 1uan h PRO 9 Ca -0.40 -0.50 -0.11 0.00 -0.87 0.00 0.00 66.00 64.12 1uan h PRO 9 Cb 1.18 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1uan h PRO 9 CO 0.42 1.14 -0.52 -3.38 -0.23 0.00 0.00 178.00 175.43 1uan s HIS 10 N -4.21 0.29 0.44 1.56 -3.43 -1.26 -1.48 115.29 107.20 1uan s HIS 10 Ca -0.11 -0.73 -0.25 0.00 -0.80 0.00 0.00 55.06 53.16 1uan s HIS 10 Cb 0.10 -0.20 -0.08 0.00 -1.43 0.00 0.00 32.58 30.97 1uan s HIS 10 CO 0.87 -0.44 1.37 -2.14 -2.00 0.00 0.00 174.74 172.40 1uan s PRO 11 N -3.57 3.74 0.00 -0.38 0.02 -1.26 -2.17 135.00 131.37 1uan s PRO 11 Ca 0.03 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.35 1uan s PRO 11 Cb 0.04 -2.65 0.00 0.00 0.02 0.00 0.00 34.50 31.92 1uan s PRO 11 CO -0.09 -0.73 0.00 -0.40 -0.33 0.00 0.00 177.00 175.45 1uan n ASP 12 N -0.16 0.00 -0.08 2.53 3.85 -1.26 -4.92 116.55 116.50 1uan n ASP 12 Ca 0.05 0.00 -0.15 0.00 -0.71 0.00 0.00 54.79 53.99 1uan n ASP 12 Cb 0.43 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.15 1uan n ASP 12 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 1uan h ASP 13 N 0.00 0.88 -0.55 -1.12 1.82 -1.86 -0.44 116.42 115.16 1uan h ASP 13 Ca 0.00 -0.52 -0.07 0.00 -0.39 0.00 0.00 57.03 56.05 1uan h ASP 13 Cb 0.00 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.74 1uan h ASP 13 CO 0.00 1.24 0.08 1.23 -1.61 0.00 0.00 179.24 180.18 1uan h GLY 14 N 0.56 0.98 0.89 -0.78 0.00 -1.92 -1.37 103.07 101.43 1uan h GLY 14 Ca 0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1uan h GLY 14 CO 0.11 0.61 0.07 0.83 0.00 0.00 0.00 176.54 178.16 1uan h GLU 15 N 0.80 0.24 -0.36 4.80 3.07 -1.91 0.21 114.58 121.43 1uan h GLU 15 Ca 0.17 -0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.05 1uan h GLU 15 Cb 0.42 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.23 1uan h GLU 15 CO 0.01 0.31 -0.02 1.25 -1.40 0.00 0.00 179.01 179.16 1uan h LEU 16 N 0.12 -0.19 -0.05 1.33 5.85 -0.91 -0.36 115.31 121.10 1uan h LEU 16 Ca 0.05 0.09 -0.22 0.00 0.84 0.00 0.00 57.88 58.65 1uan h LEU 16 Cb 0.15 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1uan h LEU 16 CO -0.01 -0.06 -1.01 1.23 -0.34 0.00 0.00 178.44 178.26 1uan h GLY 17 N 0.07 0.08 0.00 3.75 0.00 -1.22 -3.42 103.07 102.33 1uan h GLY 17 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uan h GLY 17 CO -0.31 0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.38 1uan h GLY 19 N 0.00 1.51 0.99 0.00 0.00 -1.03 -0.85 103.07 103.69 1uan h GLY 19 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1uan h GLY 19 CO 0.00 -0.15 0.26 -1.33 0.00 0.00 0.00 176.54 175.33 1uan h GLY 20 N 0.54 0.92 0.86 4.60 0.00 -1.83 -1.28 103.07 106.87 1uan h GLY 20 Ca 0.52 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 1uan h GLY 20 CO -0.44 0.45 -0.08 -0.84 0.00 0.00 0.00 176.54 175.63 1uan h THR 21 N 0.80 1.29 -0.49 4.70 2.02 -1.77 -0.78 112.91 118.67 1uan h THR 21 Ca 0.20 -1.11 0.09 0.00 0.77 0.00 0.00 66.41 66.35 1uan h THR 21 Cb 0.15 1.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 1uan h THR 21 CO -0.02 0.35 0.06 -0.07 0.37 0.00 0.00 175.52 176.21 1uan h LEU 22 N 0.27 -0.08 -0.56 2.58 3.38 -1.12 -0.00 115.31 119.78 1uan h LEU 22 Ca 0.07 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1uan h LEU 22 Cb 0.56 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1uan h LEU 22 CO 0.03 -0.01 0.15 0.00 0.09 0.00 0.00 178.44 178.70 1uan h ALA 23 N 1.41 0.73 -0.30 1.53 0.00 -1.07 -1.78 119.26 119.78 1uan h ALA 23 Ca 0.25 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1uan h ALA 23 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1uan h ALA 23 CO -0.36 0.42 0.17 -0.09 0.00 0.00 0.00 179.25 179.39 1uan h ARG 24 N 0.78 0.34 -0.43 0.00 2.43 -0.90 -0.53 114.38 116.07 1uan h ARG 24 Ca 0.18 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1uan h ARG 24 Cb 0.32 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 1uan h ARG 24 CO -0.00 0.22 0.10 0.00 -1.51 0.00 0.00 179.97 178.78 1uan h ALA 25 N 1.13 0.48 -0.15 2.80 0.00 -0.71 -0.53 119.26 122.29 1uan h ALA 25 Ca 0.12 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1uan h ALA 25 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1uan h ALA 25 CO -0.06 -0.30 0.06 -0.22 0.00 0.00 0.00 179.25 178.73 1uan h LYS 26 N 0.23 0.14 -0.49 0.00 1.63 -1.07 -0.83 116.57 116.18 1uan h LYS 26 Ca 0.21 -0.01 0.11 0.00 -0.85 0.00 0.00 60.65 60.11 1uan h LYS 26 Cb 0.25 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1uan h LYS 26 CO -0.27 0.09 0.34 0.00 -3.45 0.00 0.00 179.45 176.16 1uan h ALA 27 N 1.08 2.20 -0.09 5.00 0.00 -0.62 0.66 119.26 127.49 1uan h ALA 27 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uan h ALA 27 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1uan h ALA 27 CO -0.05 -0.32 0.00 0.39 0.00 0.00 0.00 179.25 179.27 1uan n GLU 28 N -4.45 1.41 -0.55 0.00 1.02 -0.25 -4.91 120.64 112.91 1uan n GLU 28 Ca 0.08 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 1uan n GLU 28 Cb 0.42 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1uan n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uan n GLY 29 N 0.99 0.68 3.88 0.62 0.00 0.23 -5.07 105.19 106.53 1uan n GLY 29 Ca 0.16 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1uan n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uan s LEU 30 N 0.00 3.73 -0.15 0.99 1.43 -0.40 -4.99 118.68 119.29 1uan s LEU 30 Ca 0.00 1.12 -0.22 0.00 -1.03 0.00 0.00 54.13 54.00 1uan s LEU 30 Cb 0.00 -4.03 -0.03 0.00 0.03 0.00 0.00 46.19 42.16 1uan s LEU 30 CO 0.00 -0.48 0.66 -0.55 0.23 0.00 0.00 176.35 176.20 1uan s SER 31 N -3.46 6.81 0.12 2.29 0.15 -1.26 -4.33 113.70 114.01 1uan s SER 31 Ca 0.51 0.98 0.07 0.00 0.70 0.00 0.00 55.95 58.20 1uan s SER 31 Cb -0.10 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1uan s SER 31 CO 0.36 -0.21 -0.16 0.42 1.20 0.00 0.00 173.24 174.85 1uan s THR 32 N 1.47 1.43 0.18 6.45 -4.23 -1.26 0.19 115.64 119.87 1uan s THR 32 Ca 0.32 -1.65 -0.18 0.00 -1.18 0.00 0.00 61.69 59.01 1uan s THR 32 Cb -0.16 -1.50 0.03 0.00 1.34 0.00 0.00 72.50 72.20 1uan s THR 32 CO 0.13 -0.31 0.51 -0.83 -0.54 0.00 0.00 174.62 173.57 1uan s GLY 33 N -2.28 -0.15 -0.10 3.99 0.00 -0.77 0.68 107.32 108.70 1uan s GLY 33 Ca 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 44.67 1uan s GLY 33 CO 0.04 -0.25 -0.20 -0.42 0.00 0.00 0.00 173.10 172.27 1uan s ILE 34 N -3.86 1.79 -0.26 0.90 1.01 -0.64 -1.23 121.20 118.90 1uan s ILE 34 Ca 0.08 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 1uan s ILE 34 Cb -0.01 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1uan s ILE 34 CO -0.05 0.50 0.03 -0.22 0.00 0.00 0.00 174.94 175.20 1uan s LEU 35 N 0.52 3.47 0.01 2.97 2.96 0.16 -2.33 118.68 126.44 1uan s LEU 35 Ca -0.16 -0.58 -0.18 0.00 -0.22 0.00 0.00 54.13 52.99 1uan s LEU 35 Cb -0.17 -1.82 -0.06 0.00 0.50 0.00 0.00 46.19 44.64 1uan s LEU 35 CO 0.06 -0.12 0.52 -1.81 -1.32 0.00 0.00 176.35 173.68 1uan s ASP 36 N 1.49 6.93 0.08 3.68 -0.00 -0.42 -1.33 116.67 127.10 1uan s ASP 36 Ca 0.04 1.11 0.10 0.00 -0.00 0.00 0.00 52.55 53.79 1uan s ASP 36 Cb -0.16 -2.32 -0.19 0.00 -0.00 0.00 0.00 42.92 40.25 1uan s ASP 36 CO 0.00 0.21 1.07 -0.07 -0.00 0.00 0.00 175.17 176.38 1uan h LEU 37 N 5.12 0.00 -9.01 1.23 3.38 -0.69 -0.05 115.31 115.30 1uan h LEU 37 Ca -0.48 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.09 1uan h LEU 37 Cb 1.21 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 1uan h LEU 37 CO 0.66 0.93 -0.60 0.42 0.09 0.00 0.00 178.44 179.94 1uan s THR 38 N -2.71 0.69 -1.77 0.22 -4.23 -0.55 -1.24 115.64 106.05 1uan s THR 38 Ca -0.01 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.76 1uan s THR 38 Cb 0.09 -2.65 0.23 0.00 1.34 0.00 0.00 72.50 71.51 1uan s THR 38 CO 0.82 0.00 1.50 0.54 -0.54 0.00 0.00 174.62 176.93 1uan n ARG 39 N -0.56 0.87 -2.19 3.99 1.74 -1.26 -4.18 116.66 115.07 1uan n ARG 39 Ca -0.01 -0.55 -0.10 0.00 -0.77 0.00 0.00 57.85 56.42 1uan n ARG 39 Cb 0.66 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.61 1uan n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uan n GLY 40 N 1.35 -0.05 0.32 -0.13 0.00 -1.26 -4.66 105.19 100.76 1uan n GLY 40 Ca 0.12 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1uan n GLY 40 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uan h GLU 41 N 0.00 0.43 0.00 1.61 3.07 -1.94 0.18 114.58 117.93 1uan h GLU 41 Ca -0.25 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1uan h GLU 41 Cb 1.18 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1uan h GLU 41 CO 0.29 0.28 0.00 -0.12 -1.40 0.00 0.00 179.01 178.07 1uan n MET 42 N -5.01 0.77 0.00 2.33 1.56 -1.26 -3.56 117.12 111.95 1uan n MET 42 Ca 0.22 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.66 1uan n MET 42 Cb 0.64 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.51 1uan n MET 42 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1uan n GLY 43 N 0.67 0.48 3.56 -5.12 0.00 -0.78 -5.02 105.19 98.98 1uan n GLY 43 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1uan n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uan s SER 44 N -0.50 4.39 -0.06 1.61 1.04 0.56 -4.76 113.70 115.99 1uan s SER 44 Ca 0.00 0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.74 1uan s SER 44 Cb 0.00 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.75 1uan s SER 44 CO 0.00 -3.24 0.88 0.29 0.98 0.00 0.00 173.24 172.15 1uan n LYS 45 N 8.93 1.70 -3.82 4.02 4.01 -1.26 -4.68 118.16 127.05 1uan n LYS 45 Ca 0.40 -0.67 -0.23 0.00 -0.51 0.00 0.00 58.31 57.30 1uan n LYS 45 Cb 0.48 -1.56 -0.04 0.00 -0.51 0.00 0.00 35.03 33.40 1uan n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uan n GLY 46 N 0.14 3.67 3.83 0.72 0.00 -1.26 -4.88 105.19 107.41 1uan n GLY 46 Ca 0.08 -2.32 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 1uan n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uan s THR 47 N -2.26 4.49 0.49 2.61 -4.23 -1.26 -4.94 115.64 110.54 1uan s THR 47 Ca 0.02 1.30 0.33 0.00 -1.18 0.00 0.00 61.69 62.16 1uan s THR 47 Cb -0.00 -3.66 0.53 0.00 1.34 0.00 0.00 72.50 70.71 1uan s THR 47 CO 0.01 -0.49 1.71 -0.65 -0.54 0.00 0.00 174.62 174.67 1uan h PRO 48 N 1.46 0.11 -0.29 3.99 0.11 -1.99 -1.28 132.00 134.11 1uan h PRO 48 Ca -0.48 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1uan h PRO 48 Cb 1.18 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1uan h PRO 48 CO 0.62 0.07 -0.30 1.49 -0.21 0.00 0.00 178.00 179.67 1uan h GLU 49 N 0.11 0.72 0.11 1.05 4.57 -2.01 -3.01 114.58 116.12 1uan h GLU 49 Ca 0.70 -0.38 -0.28 0.00 -1.18 0.00 0.00 59.36 58.22 1uan h GLU 49 Cb 2.42 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 31.02 1uan h GLU 49 CO -0.18 1.00 -1.35 0.93 -1.18 0.00 0.00 179.01 178.23 1uan h GLU 50 N 0.47 0.22 -0.83 1.92 5.08 -1.87 -3.16 114.58 116.41 1uan h GLU 50 Ca 0.05 -0.38 0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1uan h GLU 50 Cb 0.87 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 1uan h GLU 50 CO 0.07 1.13 0.54 0.00 -1.00 0.00 0.00 179.01 179.75 1uan h ARG 51 N 0.06 0.59 -0.66 2.33 3.08 -1.34 -1.77 114.38 116.66 1uan h ARG 51 Ca -0.17 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1uan h ARG 51 Cb 1.97 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.86 1uan h ARG 51 CO 0.17 0.39 0.38 1.49 -1.07 0.00 0.00 179.97 181.34 1uan h GLU 52 N 0.61 0.91 -0.42 0.04 4.81 -1.49 -2.04 114.58 117.00 1uan h GLU 52 Ca 0.41 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1uan h GLU 52 Cb 0.72 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1uan h GLU 52 CO -0.17 0.66 -0.10 0.87 -0.73 0.00 0.00 179.01 179.55 1uan h LYS 53 N 0.90 0.74 -0.04 1.92 1.57 -1.41 -2.72 116.57 117.53 1uan h LYS 53 Ca 0.24 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uan h LYS 53 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1uan h LYS 53 CO -0.04 0.81 0.01 0.93 -0.57 0.00 0.00 179.45 180.59 1uan h GLU 54 N 0.67 0.06 -0.62 3.15 5.08 -1.01 0.12 114.58 122.03 1uan h GLU 54 Ca 0.12 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1uan h GLU 54 Cb 0.56 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1uan h GLU 54 CO 0.03 0.25 0.30 0.28 -1.00 0.00 0.00 179.01 178.88 1uan h VAL 55 N -0.14 0.89 -0.44 3.13 2.07 -1.41 0.20 116.25 120.55 1uan h VAL 55 Ca 0.01 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1uan h VAL 55 Cb 0.22 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1uan h VAL 55 CO -0.00 0.10 0.05 0.00 0.02 0.00 0.00 177.57 177.74 1uan h ALA 56 N 1.36 0.59 -0.04 1.67 0.00 -1.33 0.25 119.26 121.76 1uan h ALA 56 Ca 0.29 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uan h ALA 56 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1uan h ALA 56 CO -0.23 0.33 0.02 1.49 0.00 0.00 0.00 179.25 180.86 1uan h GLU 57 N 0.60 0.06 -0.64 0.00 4.57 -0.00 -1.46 114.58 117.71 1uan h GLU 57 Ca 0.13 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.36 1uan h GLU 57 Cb 0.41 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.94 1uan h GLU 57 CO 0.01 0.16 0.36 0.00 -1.18 0.00 0.00 179.01 178.36 1uan h ALA 58 N 0.90 0.86 -0.82 2.92 0.00 -0.59 -0.73 119.26 121.79 1uan h ALA 58 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1uan h ALA 58 Cb 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1uan h ALA 58 CO -0.00 0.04 0.51 0.77 0.00 0.00 0.00 179.25 180.57 1uan h SER 59 N 0.67 0.96 -0.17 0.00 0.02 -0.82 -2.03 113.55 112.18 1uan h SER 59 Ca 0.28 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1uan h SER 59 Cb 0.16 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1uan h SER 59 CO -0.17 0.72 -0.08 -0.09 -1.14 0.00 0.00 176.83 176.08 1uan h ARG 60 N 1.12 0.35 -0.67 3.45 2.43 -0.60 0.52 114.38 120.97 1uan h ARG 60 Ca 0.30 -0.15 0.09 0.00 -0.81 0.00 0.00 59.98 59.40 1uan h ARG 60 Cb -0.08 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.39 1uan h ARG 60 CO -0.06 0.66 0.32 0.82 -1.51 0.00 0.00 179.97 180.20 1uan h ILE 61 N 0.04 0.84 0.00 1.20 2.04 -0.88 -0.60 117.51 120.14 1uan h ILE 61 Ca 0.04 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1uan h ILE 61 Cb 0.55 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1uan h ILE 61 CO 0.02 0.10 -0.13 0.18 0.00 0.00 0.00 178.15 178.33 1uan n LEU 62 N -4.90 0.68 -1.17 1.44 4.77 -0.79 -4.94 117.00 112.11 1uan n LEU 62 Ca 0.10 0.49 -0.07 0.00 -0.03 0.00 0.00 56.01 56.49 1uan n LEU 62 Cb 0.26 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1uan n LEU 62 CO 0.24 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1uan n GLY 63 N 1.34 0.30 3.73 -0.72 0.00 0.06 -4.47 105.19 105.43 1uan n GLY 63 Ca 0.05 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1uan n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uan s LEU 64 N -2.54 4.37 0.27 0.99 1.02 -0.56 -4.78 118.68 117.46 1uan s LEU 64 Ca 0.10 2.60 0.07 0.00 0.02 0.00 0.00 54.13 56.92 1uan s LEU 64 Cb -0.05 -3.60 0.37 0.00 0.02 0.00 0.00 46.19 42.93 1uan s LEU 64 CO 0.13 -0.77 1.63 0.44 0.02 0.00 0.00 176.35 177.80 1uan h ASP 65 N 6.28 0.18 -3.53 2.29 3.45 -0.10 -3.45 116.42 121.53 1uan h ASP 65 Ca -0.44 -0.09 -0.38 0.00 0.43 0.00 0.00 57.03 56.56 1uan h ASP 65 Cb 1.21 -0.05 -0.33 0.00 -0.56 0.00 0.00 39.33 39.60 1uan h ASP 65 CO 0.87 0.68 -0.76 0.12 -1.57 0.00 0.00 179.24 178.58 1uan s PHE 66 N -3.85 0.58 -0.09 4.55 5.36 -0.53 -5.01 117.98 118.99 1uan s PHE 66 Ca -0.03 -0.13 0.02 0.00 -0.96 0.00 0.00 56.93 55.83 1uan s PHE 66 Cb 0.13 -0.54 0.01 0.00 -0.34 0.00 0.00 43.02 42.28 1uan s PHE 66 CO 0.78 -0.15 -0.14 0.50 -1.46 0.00 0.00 175.22 174.75 1uan s ARG 67 N 0.81 1.95 0.24 10.12 6.06 -1.26 -1.62 118.95 135.26 1uan s ARG 67 Ca -0.10 -0.48 -0.03 0.00 -2.50 0.00 0.00 55.73 52.62 1uan s ARG 67 Cb -0.13 -1.66 -0.02 0.00 0.06 0.00 0.00 34.95 33.20 1uan s ARG 67 CO -0.00 -0.03 0.28 0.20 -2.50 0.00 0.00 175.30 173.24 1uan s GLY 68 N 0.88 1.30 -0.00 8.12 0.00 -0.98 -5.02 107.32 111.62 1uan s GLY 68 Ca -0.10 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1uan s GLY 68 CO 0.01 -1.16 -0.02 0.21 0.00 0.00 0.00 173.10 172.14 1uan s ASN 69 N -3.15 0.19 0.00 1.64 3.84 -1.26 -1.30 114.94 114.89 1uan s ASN 69 Ca 0.34 -0.05 0.24 0.00 0.21 0.00 0.00 52.86 53.61 1uan s ASN 69 Cb 0.04 -0.02 0.39 0.00 -0.55 0.00 0.00 41.25 41.11 1uan s ASN 69 CO 0.14 0.01 1.33 0.18 -2.79 0.00 0.00 177.10 175.97 1uan n LEU 70 N 2.98 0.97 -0.63 3.21 4.77 -0.03 -4.96 117.00 123.31 1uan n LEU 70 Ca -0.13 -0.28 -0.08 0.00 -0.03 0.00 0.00 56.01 55.50 1uan n LEU 70 Cb 0.59 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1uan n LEU 70 CO 0.26 0.20 -0.08 0.61 -1.33 0.00 0.00 177.39 177.05 1uan n GLY 71 N 1.44 0.96 3.70 -0.72 0.00 -1.18 -4.98 105.19 104.42 1uan n GLY 71 Ca 0.08 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1uan n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uan s PHE 72 N -2.13 1.87 -0.05 1.61 2.99 -0.37 -4.90 117.98 117.00 1uan s PHE 72 Ca 0.00 1.67 -0.30 0.00 0.00 0.00 0.00 56.93 58.30 1uan s PHE 72 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 43.02 39.52 1uan s PHE 72 CO 0.00 -2.75 1.48 -1.25 -0.00 0.00 0.00 175.22 172.70 1uan s PRO 73 N -4.17 4.23 0.18 0.24 0.04 -1.26 -4.30 135.00 129.96 1uan s PRO 73 Ca 0.72 2.01 -0.33 0.00 0.04 0.00 0.00 61.00 63.44 1uan s PRO 73 Cb -0.28 -3.76 -0.14 0.00 0.04 0.00 0.00 34.50 30.36 1uan s PRO 73 CO 0.50 -0.71 1.43 -3.47 0.04 0.00 0.00 177.00 174.80 1uan n ASP 74 N 6.26 2.57 0.00 6.66 4.64 -1.26 -0.77 116.55 134.65 1uan n ASP 74 Ca 0.15 1.12 0.00 0.00 -1.38 0.00 0.00 54.79 54.68 1uan n ASP 74 Cb 0.43 -1.37 0.00 0.00 -1.04 0.00 0.00 41.12 39.14 1uan n ASP 74 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1uan n GLY 75 N 2.65 0.99 0.15 0.27 0.00 -1.26 -4.77 105.19 103.22 1uan n GLY 75 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1uan n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uan n GLY 76 N -2.00 3.71 3.77 -0.02 0.00 0.05 -4.94 105.19 105.76 1uan n GLY 76 Ca 0.00 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1uan n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uan s LEU 77 N -2.10 4.38 -0.09 0.99 1.43 -1.20 -4.79 118.68 117.29 1uan s LEU 77 Ca 0.22 2.81 -0.30 0.00 -1.03 0.00 0.00 54.13 55.84 1uan s LEU 77 Cb 0.20 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.84 1uan s LEU 77 CO 0.02 -0.69 0.68 0.00 0.23 0.00 0.00 176.35 176.59 1uan s ALA 78 N -0.87 -1.76 -1.35 4.21 0.00 -1.26 -4.80 121.76 115.93 1uan s ALA 78 Ca 0.53 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.78 1uan s ALA 78 Cb -0.43 -0.20 0.09 0.00 0.00 0.00 0.00 23.12 22.59 1uan s ALA 78 CO 0.54 -0.36 1.93 -3.47 0.00 0.00 0.00 175.76 174.40 1uan n ASP 79 N 1.22 4.57 -4.47 0.00 4.64 -1.26 -4.73 116.55 116.52 1uan n ASP 79 Ca -0.18 -2.94 -0.24 0.00 -1.38 0.00 0.00 54.79 50.05 1uan n ASP 79 Cb 0.57 -1.63 -0.10 0.00 -1.04 0.00 0.00 41.12 38.92 1uan n ASP 79 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1uan s VAL 80 N 2.60 2.51 0.20 5.18 -7.23 -1.26 -4.97 120.40 117.43 1uan s VAL 80 Ca 0.46 -2.36 -0.11 0.00 -1.81 0.00 0.00 61.98 58.16 1uan s VAL 80 Cb 0.09 -2.31 0.14 0.00 0.56 0.00 0.00 36.38 34.85 1uan s VAL 80 CO -0.02 -0.38 1.71 -0.65 -0.31 0.00 0.00 175.10 175.46 1uan h PRO 81 N 2.33 0.23 -0.35 4.82 0.11 -1.98 -0.07 132.00 137.08 1uan h PRO 81 Ca -0.41 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.77 1uan h PRO 81 Cb 1.26 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 1uan h PRO 81 CO 0.59 0.15 -0.21 1.49 -0.21 0.00 0.00 178.00 179.81 1uan h GLU 82 N 0.24 -0.16 -0.18 1.05 4.22 -1.97 0.13 114.58 117.91 1uan h GLU 82 Ca 0.28 0.01 -0.18 0.00 0.08 0.00 0.00 59.36 59.55 1uan h GLU 82 Cb 0.40 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.69 1uan h GLU 82 CO -0.37 -0.10 -0.58 1.96 -2.18 0.00 0.00 179.01 177.73 1uan h GLN 83 N -0.16 0.72 -0.39 1.92 4.20 -1.64 -2.40 115.11 117.36 1uan h GLN 83 Ca 0.18 -0.53 0.07 0.00 0.06 0.00 0.00 58.65 58.43 1uan h GLN 83 Cb 0.43 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.24 1uan h GLN 83 CO -0.45 1.15 -0.05 -0.09 -0.67 0.00 0.00 178.83 178.72 1uan h ARG 84 N 0.43 0.04 -0.36 1.46 2.43 -0.66 -1.20 114.38 116.52 1uan h ARG 84 Ca -0.02 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1uan h ARG 84 Cb 1.21 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1uan h ARG 84 CO 0.12 0.03 -0.19 -0.07 -1.51 0.00 0.00 179.97 178.35 1uan h LEU 85 N 0.04 0.79 -0.97 3.80 -0.00 -0.72 0.32 115.31 118.57 1uan h LEU 85 Ca 0.19 -0.41 -0.08 0.00 -0.00 0.00 0.00 57.88 57.57 1uan h LEU 85 Cb 0.28 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.70 1uan h LEU 85 CO -0.36 1.03 -0.13 0.11 -0.00 0.00 0.00 178.44 179.09 1uan h LYS 86 N 0.55 0.60 -0.27 1.13 1.79 -1.28 -1.47 116.57 117.63 1uan h LYS 86 Ca 0.08 -0.19 -0.09 0.00 -2.18 0.00 0.00 60.65 58.27 1uan h LYS 86 Cb 0.74 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 1uan h LYS 86 CO 0.06 0.72 -0.19 1.25 -1.08 0.00 0.00 179.45 180.20 1uan h LEU 87 N 0.55 0.63 -1.58 2.94 5.85 -1.04 -2.49 115.31 120.18 1uan h LEU 87 Ca 0.10 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1uan h LEU 87 Cb 0.55 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1uan h LEU 87 CO 0.03 0.94 0.27 0.00 -0.34 0.00 0.00 178.44 179.34 1uan h ALA 88 N 0.71 1.69 -0.41 1.25 0.00 -0.74 -1.63 119.26 120.14 1uan h ALA 88 Ca 0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1uan h ALA 88 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1uan h ALA 88 CO 0.05 0.28 -0.01 0.37 0.00 0.00 0.00 179.25 179.94 1uan h GLN 89 N 0.57 0.73 -0.63 0.00 5.75 -1.16 -1.93 115.11 118.43 1uan h GLN 89 Ca 0.15 -0.24 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 1uan h GLN 89 Cb -0.05 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1uan h GLN 89 CO -0.03 0.82 0.13 0.00 -2.65 0.00 0.00 178.83 177.09 1uan h ALA 90 N 0.88 1.04 -0.68 3.38 0.00 -0.87 -1.15 119.26 121.86 1uan h ALA 90 Ca 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1uan h ALA 90 Cb 0.50 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1uan h ALA 90 CO 0.02 0.62 0.31 -0.07 0.00 0.00 0.00 179.25 180.13 1uan h LEU 91 N 0.95 0.91 -1.20 0.00 3.38 -1.15 0.35 115.31 118.55 1uan h LEU 91 Ca 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1uan h LEU 91 Cb 0.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1uan h LEU 91 CO 0.01 0.81 0.19 0.03 0.09 0.00 0.00 178.44 179.57 1uan h ARG 92 N 0.96 0.75 -0.31 1.13 3.08 -0.96 0.25 114.38 119.28 1uan h ARG 92 Ca 0.23 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 60.01 1uan h ARG 92 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1uan h ARG 92 CO -0.03 0.63 -0.43 0.00 -1.07 0.00 0.00 179.97 179.08 1uan h ARG 93 N 0.74 0.78 0.00 0.04 3.08 -0.37 -3.31 114.38 115.35 1uan h ARG 93 Ca 0.18 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1uan h ARG 93 Cb 0.17 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1uan h ARG 93 CO -0.01 1.06 -0.84 -0.07 -1.07 0.00 0.00 179.97 179.03 1uan h LEU 94 N 0.63 0.00 -2.48 3.04 3.38 -0.10 -3.44 115.31 116.35 1uan h LEU 94 Ca 0.04 -0.12 -0.56 0.00 0.09 0.00 0.00 57.88 57.33 1uan h LEU 94 Cb 0.99 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.59 1uan h LEU 94 CO 0.09 0.06 -0.89 0.54 0.09 0.00 0.00 178.44 178.33 1uan n ARG 95 N -2.39 -0.80 -2.25 1.13 1.74 0.85 -1.64 116.66 113.30 1uan n ARG 95 Ca 0.02 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 1uan n ARG 95 Cb 0.49 -3.02 -0.03 0.00 -1.02 0.00 0.00 32.46 28.88 1uan n ARG 95 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1uan s PRO 96 N -7.07 4.36 0.16 5.56 0.04 -1.26 -3.08 135.00 133.71 1uan s PRO 96 Ca 0.10 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1uan s PRO 96 Cb -0.06 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1uan s PRO 96 CO 0.91 -0.37 1.56 0.00 0.04 0.00 0.00 177.00 179.14 1uan h ARG 97 N 6.74 0.99 -4.83 4.56 3.08 -1.35 -3.39 114.38 120.18 1uan h ARG 97 Ca -0.42 -0.40 -0.54 0.00 0.07 0.00 0.00 59.98 58.69 1uan h ARG 97 Cb 1.21 -0.04 -0.33 0.00 0.08 0.00 0.00 29.97 30.89 1uan h ARG 97 CO 0.84 1.08 -0.83 0.08 -1.07 0.00 0.00 179.97 180.08 1uan s VAL 98 N -4.74 1.29 -0.07 2.04 1.01 -0.91 -1.99 120.40 117.04 1uan s VAL 98 Ca -0.12 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1uan s VAL 98 Cb 0.12 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 1uan s VAL 98 CO 0.86 0.39 -0.10 -0.69 0.00 0.00 0.00 175.10 175.55 1uan s VAL 99 N 0.44 3.38 -0.11 2.92 1.01 -0.18 -1.01 120.40 126.84 1uan s VAL 99 Ca -0.12 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1uan s VAL 99 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1uan s VAL 99 CO 0.04 0.59 -0.05 -0.36 0.00 0.00 0.00 175.10 175.31 1uan s PHE 100 N -0.64 3.00 0.17 5.22 0.08 0.37 -1.02 117.98 125.16 1uan s PHE 100 Ca 0.10 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.04 1uan s PHE 100 Cb -0.11 -1.84 -0.05 0.00 -0.57 0.00 0.00 43.02 40.45 1uan s PHE 100 CO 0.01 0.15 -0.07 0.00 -0.10 0.00 0.00 175.22 175.21 1uan s ALA 101 N -0.21 1.56 0.57 5.36 0.00 -0.20 -0.61 121.76 128.22 1uan s ALA 101 Ca 0.03 -1.58 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 1uan s ALA 101 Cb -0.13 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1uan s ALA 101 CO 0.02 -0.15 1.25 -2.14 0.00 0.00 0.00 175.76 174.75 1uan s PRO 102 N -3.78 3.08 0.36 0.00 0.02 -1.26 -0.36 135.00 133.05 1uan s PRO 102 Ca 0.20 1.94 -0.27 0.00 0.02 0.00 0.00 61.00 62.89 1uan s PRO 102 Cb 0.03 -2.07 -0.10 0.00 0.02 0.00 0.00 34.50 32.39 1uan s PRO 102 CO 0.03 -1.15 1.30 -1.17 -0.33 0.00 0.00 177.00 175.68 1uan s LEU 103 N -3.82 4.33 0.28 -5.54 2.96 0.18 -4.25 118.68 112.82 1uan s LEU 103 Ca 0.75 2.66 -0.01 0.00 -0.22 0.00 0.00 54.13 57.30 1uan s LEU 103 Cb -0.33 -3.77 0.45 0.00 0.50 0.00 0.00 46.19 43.04 1uan s LEU 103 CO 0.37 -0.66 1.89 -0.08 -1.32 0.00 0.00 176.35 176.55 1uan h GLU 104 N 3.07 1.10 -6.32 1.98 4.81 -1.88 -3.41 114.58 113.93 1uan h GLU 104 Ca -0.49 -0.07 -0.57 0.00 -0.13 0.00 0.00 59.36 58.10 1uan h GLU 104 Cb 1.23 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 1uan h GLU 104 CO 0.64 0.73 0.94 0.00 -0.73 0.00 0.00 179.01 180.59 1uan s ALA 105 N -5.99 3.43 -0.01 2.92 0.00 -1.26 -4.19 121.76 116.65 1uan s ALA 105 Ca -0.12 0.12 -0.28 0.00 0.00 0.00 0.00 51.96 51.67 1uan s ALA 105 Cb 0.20 -3.74 0.10 0.00 0.00 0.00 0.00 23.12 19.68 1uan s ALA 105 CO 0.81 -1.64 0.86 0.34 0.00 0.00 0.00 175.76 176.12 1uan s ASP 106 N 2.47 -0.41 0.22 0.00 2.15 -1.26 -4.36 116.67 115.47 1uan s ASP 106 Ca 0.54 0.10 0.26 0.00 0.43 0.00 0.00 52.55 53.88 1uan s ASP 106 Cb -0.16 0.41 0.74 0.00 -0.30 0.00 0.00 42.92 43.61 1uan s ASP 106 CO 0.21 -0.62 1.73 0.08 -0.17 0.00 0.00 175.17 176.39 1uan h ARG 107 N 2.14 0.00 -4.78 4.34 0.11 -1.92 -3.44 114.38 110.82 1uan h ARG 107 Ca -0.23 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 59.17 1uan h ARG 107 Cb 1.23 0.00 -0.23 0.00 1.11 0.00 0.00 29.97 32.08 1uan h ARG 107 CO 0.32 0.00 -0.57 -1.58 0.10 0.00 0.00 179.97 178.25 1uan s HIS 108 N -3.11 3.17 0.42 4.08 2.46 -1.26 -4.98 115.29 116.07 1uan s HIS 108 Ca 0.10 -0.62 0.28 0.00 0.47 0.00 0.00 55.06 55.29 1uan s HIS 108 Cb 0.12 -2.34 1.49 0.00 -0.13 0.00 0.00 32.58 31.72 1uan s HIS 108 CO 0.61 -0.47 2.09 -1.00 -2.47 0.00 0.00 174.74 173.50 1uan h PRO 109 N 8.34 0.00 -0.85 2.88 0.13 -1.98 -0.91 132.00 139.60 1uan h PRO 109 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1uan h PRO 109 Cb 1.14 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1uan h PRO 109 CO 0.61 0.11 0.46 -0.44 -0.23 0.00 0.00 178.00 178.51 1uan h ASP 110 N 0.00 1.07 -0.37 1.44 3.45 -1.92 -0.58 116.42 119.51 1uan h ASP 110 Ca -0.00 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.36 1uan h ASP 110 Cb 0.31 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1uan h ASP 110 CO 0.01 0.87 0.24 0.45 -1.57 0.00 0.00 179.24 179.24 1uan h HIS 111 N 1.19 0.48 -0.30 4.55 3.86 -1.54 0.19 115.15 123.59 1uan h HIS 111 Ca 0.30 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1uan h HIS 111 Cb 0.04 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1uan h HIS 111 CO 0.01 0.31 0.20 1.15 0.86 0.00 0.00 177.93 180.45 1uan h THR 112 N 0.50 1.08 -0.61 2.45 2.02 -1.43 -0.32 112.91 116.61 1uan h THR 112 Ca 0.14 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1uan h THR 112 Cb -0.05 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1uan h THR 112 CO -0.03 0.07 0.14 0.00 0.37 0.00 0.00 175.52 176.08 1uan h ALA 113 N 1.11 0.80 -0.87 6.16 0.00 -0.84 -2.28 119.26 123.33 1uan h ALA 113 Ca 0.11 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1uan h ALA 113 Cb -0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1uan h ALA 113 CO -0.02 0.52 0.58 0.00 0.00 0.00 0.00 179.25 180.32 1uan h ALA 114 N 1.04 1.37 0.41 0.00 0.00 -0.27 0.19 119.26 122.00 1uan h ALA 114 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1uan h ALA 114 Cb 0.37 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1uan h ALA 114 CO 0.00 0.58 -0.30 1.03 0.00 0.00 0.00 179.25 180.57 1uan h SER 115 N 1.19 -0.76 -0.57 0.00 0.87 -0.74 -0.29 113.55 113.24 1uan h SER 115 Ca 0.32 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.94 1uan h SER 115 Cb -0.13 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1uan h SER 115 CO -0.07 -0.45 0.37 0.03 -0.53 0.00 0.00 176.83 176.18 1uan h ARG 116 N -0.70 0.73 -0.42 2.24 2.47 -1.09 -2.45 114.38 115.17 1uan h ARG 116 Ca -0.04 -0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.72 1uan h ARG 116 Cb 0.59 -0.16 -0.07 0.00 -1.65 0.00 0.00 29.97 28.68 1uan h ARG 116 CO 0.01 0.48 -0.02 -0.07 0.56 0.00 0.00 179.97 180.93 1uan h LEU 117 N 0.75 -0.22 -0.30 3.04 3.38 -0.44 -1.24 115.31 120.29 1uan h LEU 117 Ca 0.21 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.31 1uan h LEU 117 Cb -0.06 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1uan h LEU 117 CO -0.06 -0.07 0.15 0.00 0.09 0.00 0.00 178.44 178.55 1uan h ALA 118 N 1.38 0.36 0.06 1.53 0.00 -0.79 0.78 119.26 122.58 1uan h ALA 118 Ca 0.20 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1uan h ALA 118 Cb 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1uan h ALA 118 CO -0.36 -0.24 -0.26 0.28 0.00 0.00 0.00 179.25 178.66 1uan h VAL 119 N 0.31 0.41 -0.74 0.00 2.07 -1.02 -0.35 116.25 116.93 1uan h VAL 119 Ca 0.12 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 1uan h VAL 119 Cb 0.04 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1uan h VAL 119 CO -0.09 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.76 1uan h ALA 120 N 0.33 0.97 -0.31 1.67 0.00 -1.02 -2.33 119.26 118.57 1uan h ALA 120 Ca 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1uan h ALA 120 Cb 0.49 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1uan h ALA 120 CO -0.19 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.60 1uan h ALA 121 N 1.13 0.43 -0.85 0.00 0.00 -0.73 -1.07 119.26 118.16 1uan h ALA 121 Ca 0.24 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 55.00 1uan h ALA 121 Cb 0.28 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 1uan h ALA 121 CO -0.01 0.28 0.44 0.28 0.00 0.00 0.00 179.25 180.24 1uan h VAL 122 N 0.38 0.73 -0.01 0.00 2.07 -0.99 -0.43 116.25 118.01 1uan h VAL 122 Ca 0.08 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1uan h VAL 122 Cb 0.60 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1uan h VAL 122 CO 0.04 0.11 -0.00 -0.74 0.02 0.00 0.00 177.57 177.00 1uan h HIS 123 N 0.63 0.02 -0.51 1.57 6.17 -0.89 -3.24 115.15 118.90 1uan h HIS 123 Ca 0.47 -0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.50 1uan h HIS 123 Cb 0.66 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.56 1uan h HIS 123 CO -0.09 0.36 0.18 1.25 0.71 0.00 0.00 177.93 180.33 1uan h LEU 124 N -0.33 0.73 -2.13 0.26 5.85 -0.98 -2.00 115.31 116.72 1uan h LEU 124 Ca 0.00 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1uan h LEU 124 Cb 0.35 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1uan h LEU 124 CO 0.00 0.73 0.31 0.00 -0.34 0.00 0.00 178.44 179.14 1uan h ALA 125 N 1.03 1.67 -0.12 1.25 0.00 -1.13 -1.10 119.26 120.86 1uan h ALA 125 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1uan h ALA 125 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1uan h ALA 125 CO -0.01 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.25 1uan n GLY 126 N -1.34 0.97 3.60 0.00 0.00 -0.75 -0.58 105.19 107.09 1uan n GLY 126 Ca 0.02 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1uan n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uan s LEU 127 N -1.86 4.12 0.26 0.99 1.43 -0.42 -4.72 118.68 118.48 1uan s LEU 127 Ca 0.32 0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 1uan s LEU 127 Cb 0.21 -2.58 0.37 0.00 0.03 0.00 0.00 46.19 44.22 1uan s LEU 127 CO 0.31 -0.31 1.57 0.03 0.23 0.00 0.00 176.35 178.18 1uan h ARG 128 N 8.17 -0.01 -0.15 1.70 3.08 -1.90 -1.92 114.38 123.36 1uan h ARG 128 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1uan h ARG 128 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1uan h ARG 128 CO 0.71 -0.01 0.00 1.63 -1.07 0.00 0.00 179.97 181.24 1uan n LYS 129 N -5.56 1.66 -1.84 0.04 5.02 -1.26 -4.92 118.16 111.30 1uan n LYS 129 Ca 0.13 -1.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.04 1uan n LYS 129 Cb 0.45 -1.39 0.03 0.00 -0.02 0.00 0.00 35.03 34.10 1uan n LYS 129 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uan s ALA 130 N -1.82 2.94 -1.20 7.82 0.00 -0.72 -4.85 121.76 123.94 1uan s ALA 130 Ca 0.32 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.48 1uan s ALA 130 Cb 0.17 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1uan s ALA 130 CO 0.26 -1.24 2.33 -0.35 0.00 0.00 0.00 175.76 176.75 1uan n PRO 131 N -0.75 2.57 -4.15 0.00 -0.04 -1.26 -4.83 135.00 126.54 1uan n PRO 131 Ca 0.09 -1.99 -0.11 0.00 -0.04 0.00 0.00 63.50 61.45 1uan n PRO 131 Cb 0.45 -2.83 -0.10 0.00 -0.04 0.00 0.00 33.50 30.97 1uan n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1uan s LEU 132 N 0.80 2.46 0.29 1.53 1.43 -1.26 -5.10 118.68 118.84 1uan s LEU 132 Ca 0.53 -0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 1uan s LEU 132 Cb 0.14 -0.09 -0.08 0.00 0.03 0.00 0.00 46.19 46.19 1uan s LEU 132 CO -0.02 -0.42 0.68 -1.61 0.23 0.00 0.00 176.35 175.21 1uan s GLU 133 N -3.42 3.94 0.13 1.70 2.02 -1.26 -4.97 118.70 116.84 1uan s GLU 133 Ca 0.08 0.55 0.00 0.00 0.02 0.00 0.00 54.97 55.62 1uan s GLU 133 Cb 0.02 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1uan s GLU 133 CO -0.04 0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.86 1uan n GLY 134 N -0.29 -2.95 3.80 -1.39 0.00 -1.26 -4.92 105.19 98.17 1uan n GLY 134 Ca 0.03 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 1uan n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uan s GLU 135 N -0.73 4.17 0.36 1.61 0.41 -1.26 -5.01 118.70 118.24 1uan s GLU 135 Ca 0.00 1.33 -0.28 0.00 -0.41 0.00 0.00 54.97 55.61 1uan s GLU 135 Cb 0.00 -2.38 -0.11 0.00 -1.78 0.00 0.00 34.13 29.86 1uan s GLU 135 CO 0.00 -0.10 1.47 -2.30 -0.49 0.00 0.00 175.26 173.84 1uan n PRO 136 N -0.33 2.59 -4.39 0.39 -0.02 -1.26 -4.95 135.00 127.03 1uan n PRO 136 Ca 0.06 0.91 -0.22 0.00 -2.02 0.00 0.00 63.50 62.23 1uan n PRO 136 Cb 0.52 -2.62 -0.16 0.00 -0.02 0.00 0.00 33.50 31.21 1uan n PRO 136 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1uan s PHE 137 N -0.94 1.08 -0.48 6.00 5.36 0.25 -4.96 117.98 124.29 1uan s PHE 137 Ca 0.55 -0.35 -0.15 0.00 -0.96 0.00 0.00 56.93 56.02 1uan s PHE 137 Cb -0.50 -0.83 0.08 0.00 -0.34 0.00 0.00 43.02 41.43 1uan s PHE 137 CO 0.61 -0.21 0.40 1.03 -1.46 0.00 0.00 175.22 175.60 1uan s ARG 138 N 0.67 2.95 0.20 10.12 0.52 -1.26 -2.92 118.95 129.23 1uan s ARG 138 Ca -0.11 -1.42 -0.33 0.00 -0.52 0.00 0.00 55.73 53.34 1uan s ARG 138 Cb -0.14 -4.13 -0.13 0.00 0.52 0.00 0.00 34.95 31.07 1uan s ARG 138 CO 0.02 -1.08 1.63 0.28 0.02 0.00 0.00 175.30 176.18 1uan n VAL 139 N 5.19 0.13 -0.01 3.52 0.31 -1.26 -4.90 118.33 121.31 1uan n VAL 139 Ca -0.12 -0.03 -0.17 0.00 -0.01 0.00 0.00 64.34 64.00 1uan n VAL 139 Cb 0.43 -1.77 -0.10 0.00 -0.91 0.00 0.00 33.84 31.49 1uan n VAL 139 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1uan h GLU 140 N 6.12 0.42 -3.99 5.55 4.81 -1.60 -3.46 114.58 122.44 1uan h GLU 140 Ca -0.44 -0.41 -0.36 0.00 -0.13 0.00 0.00 59.36 58.02 1uan h GLU 140 Cb 1.23 0.11 -0.32 0.00 0.63 0.00 0.00 28.75 30.39 1uan h GLU 140 CO 0.90 1.07 -0.76 1.03 -0.73 0.00 0.00 179.01 180.52 1uan s ARG 141 N -3.37 0.50 -0.16 1.92 0.52 -1.03 -5.05 118.95 112.29 1uan s ARG 141 Ca -0.13 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1uan s ARG 141 Cb 0.04 -0.56 0.03 0.00 0.52 0.00 0.00 34.95 34.98 1uan s ARG 141 CO 0.82 -0.04 -0.13 -1.17 0.02 0.00 0.00 175.30 174.80 1uan s LEU 142 N 0.61 1.77 0.28 2.53 2.96 -1.26 -1.01 118.68 124.57 1uan s LEU 142 Ca -0.07 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.35 1uan s LEU 142 Cb -0.10 -1.17 -0.06 0.00 0.50 0.00 0.00 46.19 45.36 1uan s LEU 142 CO -0.01 -0.08 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.54 1uan s PHE 143 N 1.48 1.93 -0.03 5.38 0.08 -0.18 -4.81 117.98 121.82 1uan s PHE 143 Ca 0.04 -0.74 0.05 0.00 0.12 0.00 0.00 56.93 56.40 1uan s PHE 143 Cb -0.13 -1.12 -0.01 0.00 -0.57 0.00 0.00 43.02 41.19 1uan s PHE 143 CO -0.10 0.23 -0.17 -0.06 -0.10 0.00 0.00 175.22 175.02 1uan s PHE 144 N -3.07 1.64 -0.15 0.36 0.40 0.30 -1.03 117.98 116.44 1uan s PHE 144 Ca 0.30 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1uan s PHE 144 Cb 0.04 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 1uan s PHE 144 CO 0.12 -0.10 0.03 1.52 0.70 0.00 0.00 175.22 177.49 1uan s TYR 145 N -0.17 3.19 0.56 0.36 -0.85 0.51 -0.92 117.35 120.03 1uan s TYR 145 Ca 0.01 0.04 -0.20 0.00 -0.52 0.00 0.00 57.07 56.40 1uan s TYR 145 Cb -0.09 -1.96 -0.05 0.00 0.38 0.00 0.00 41.96 40.24 1uan s TYR 145 CO 0.01 0.22 1.19 -1.25 -1.52 0.00 0.00 175.55 174.20 1uan s PRO 146 N -0.04 3.15 0.00 -3.49 0.04 -1.26 -0.64 135.00 132.76 1uan s PRO 146 Ca 0.04 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1uan s PRO 146 Cb -0.13 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1uan s PRO 146 CO 0.02 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1uan n GLY 147 N 0.44 0.87 1.30 0.56 0.00 -1.26 -4.85 105.19 102.24 1uan n GLY 147 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1uan n GLY 147 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uan n ASN 148 N 0.00 3.80 -4.63 1.61 0.23 -1.26 -4.91 115.26 110.10 1uan n ASN 148 Ca 0.00 -2.00 -0.29 0.00 -0.53 0.00 0.00 54.58 51.76 1uan n ASN 148 Cb 0.00 -0.40 -0.09 0.00 -2.08 0.00 0.00 39.78 37.21 1uan n ASN 148 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1uan s HIS 149 N -1.20 2.83 0.83 -2.53 3.76 -1.26 -4.85 115.29 112.87 1uan s HIS 149 Ca 0.46 -0.12 -0.12 0.00 -0.15 0.00 0.00 55.06 55.12 1uan s HIS 149 Cb 0.25 -1.44 0.10 0.00 1.11 0.00 0.00 32.58 32.60 1uan s HIS 149 CO 0.33 0.47 1.18 -2.14 -0.85 0.00 0.00 174.74 173.74 1uan s PRO 150 N -2.49 1.49 0.13 8.40 0.02 -1.26 -4.99 135.00 136.30 1uan s PRO 150 Ca 0.25 1.68 -0.21 0.00 0.02 0.00 0.00 61.00 62.73 1uan s PRO 150 Cb -0.11 -1.77 0.06 0.00 0.02 0.00 0.00 34.50 32.70 1uan s PRO 150 CO 0.16 -2.30 0.54 -0.59 -0.33 0.00 0.00 177.00 174.48 1uan s PHE 151 N -2.31 -0.44 -0.37 6.54 -0.12 -1.26 -5.04 117.98 114.98 1uan s PHE 151 Ca 0.71 0.25 -0.10 0.00 -0.05 0.00 0.00 56.93 57.74 1uan s PHE 151 Cb -0.26 0.45 0.03 0.00 -0.63 0.00 0.00 43.02 42.60 1uan s PHE 151 CO 0.53 -0.78 0.19 0.00 -0.05 0.00 0.00 175.22 175.11 1uan s ALA 152 N -3.52 3.22 0.40 1.99 0.00 -1.26 -5.09 121.76 117.50 1uan s ALA 152 Ca 0.00 -1.75 -0.26 0.00 0.00 0.00 0.00 51.96 49.96 1uan s ALA 152 Cb -0.00 -2.53 -0.09 0.00 0.00 0.00 0.00 23.12 20.51 1uan s ALA 152 CO -0.11 -1.40 1.21 -1.25 0.00 0.00 0.00 175.76 174.21 1uan s PRO 153 N 1.51 4.05 0.07 0.00 0.04 -1.26 -4.87 135.00 134.55 1uan s PRO 153 Ca 0.01 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 1uan s PRO 153 Cb -0.19 -2.73 -0.28 0.00 0.04 0.00 0.00 34.50 31.34 1uan s PRO 153 CO 0.06 -0.35 1.14 0.77 0.04 0.00 0.00 177.00 178.66 1uan h SER 154 N 2.71 0.46 -5.00 6.66 0.02 -1.08 -3.49 113.55 113.83 1uan h SER 154 Ca -0.49 -0.49 0.03 0.00 -0.84 0.00 0.00 61.79 60.00 1uan h SER 154 Cb 1.24 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 63.54 1uan h SER 154 CO 0.63 1.38 0.23 0.72 -1.14 0.00 0.00 176.83 178.64 1uan s PHE 155 N -2.67 -0.35 0.12 3.45 -0.71 -1.04 -4.98 117.98 111.79 1uan s PHE 155 Ca -0.04 0.01 0.10 0.00 -1.04 0.00 0.00 56.93 55.96 1uan s PHE 155 Cb 0.07 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.48 1uan s PHE 155 CO 0.89 -1.05 -0.25 -0.51 -1.34 0.00 0.00 175.22 172.96 1uan s LEU 156 N -2.84 2.31 -0.21 -1.99 1.43 -1.26 -2.06 118.68 114.06 1uan s LEU 156 Ca 0.06 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.39 1uan s LEU 156 Cb -0.04 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 1uan s LEU 156 CO -0.02 0.14 -0.01 -0.69 0.23 0.00 0.00 176.35 175.99 1uan s VAL 157 N -1.09 3.73 0.03 -1.59 1.01 0.79 -4.89 120.40 118.39 1uan s VAL 157 Ca 0.11 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1uan s VAL 157 Cb -0.10 -2.70 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1uan s VAL 157 CO 0.05 0.42 1.62 -0.75 0.00 0.00 0.00 175.10 176.44 1uan s LYS 158 N 1.27 4.21 -0.06 2.72 2.20 -1.26 -0.89 119.74 127.92 1uan s LYS 158 Ca 0.04 2.24 0.10 0.00 -0.36 0.00 0.00 55.97 57.99 1uan s LYS 158 Cb -0.15 -3.71 0.18 0.00 -1.51 0.00 0.00 37.83 32.65 1uan s LYS 158 CO 0.00 -0.74 1.09 0.44 -0.36 0.00 0.00 175.35 175.78 1uan n ILE 159 N 4.92 0.85 -0.20 5.43 -5.35 -0.82 -4.93 119.36 119.25 1uan n ILE 159 Ca 0.16 -1.15 0.01 0.00 -0.27 0.00 0.00 62.75 61.49 1uan n ILE 159 Cb 0.42 0.22 0.09 0.00 -1.74 0.00 0.00 39.64 38.63 1uan n ILE 159 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1uan h SER 160 N 0.17 -0.32 0.32 7.28 0.02 -1.87 0.19 113.55 119.33 1uan h SER 160 Ca -0.02 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1uan h SER 160 Cb 1.27 0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.10 1uan h SER 160 CO 0.01 -0.13 0.00 0.00 -1.14 0.00 0.00 176.83 175.57 1uan n ALA 161 N -2.83 1.54 -0.01 3.77 0.00 -1.26 -3.28 120.51 118.43 1uan n ALA 161 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1uan n ALA 161 Cb 0.35 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1uan n ALA 161 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1uan n PHE 162 N -1.44 0.00 -0.32 0.00 3.01 0.62 -4.74 117.46 114.60 1uan n PHE 162 Ca 0.03 -0.40 -0.04 0.00 1.01 0.00 0.00 57.45 58.06 1uan n PHE 162 Cb 0.11 -0.04 0.08 0.00 -0.01 0.00 0.00 39.48 39.62 1uan n PHE 162 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1uan h ILE 163 N 0.03 1.24 -0.68 4.37 6.09 -1.43 -1.75 117.51 125.38 1uan h ILE 163 Ca 0.00 -0.51 -0.07 0.00 -1.37 0.00 0.00 64.86 62.91 1uan h ILE 163 Cb 0.41 0.03 -0.03 0.00 0.47 0.00 0.00 36.82 37.70 1uan h ILE 163 CO 0.00 0.25 0.16 0.44 -3.07 0.00 0.00 178.15 175.92 1uan h ASP 164 N 1.18 1.03 -0.15 2.19 3.32 -1.86 -0.24 116.42 121.89 1uan h ASP 164 Ca 0.31 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1uan h ASP 164 Cb -0.05 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1uan h ASP 164 CO -0.06 1.00 0.09 1.56 -1.72 0.00 0.00 179.24 180.11 1uan h GLN 165 N 1.04 0.21 -0.50 3.56 7.50 -1.81 0.12 115.11 125.22 1uan h GLN 165 Ca 0.21 -0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.45 1uan h GLN 165 Cb 0.37 -0.04 -0.09 0.00 0.05 0.00 0.00 27.48 27.77 1uan h GLN 165 CO 0.00 0.18 -0.06 2.35 -1.50 0.00 0.00 178.83 179.81 1uan h TRP 166 N 0.17 -0.14 -0.19 2.96 7.01 -1.07 0.72 115.95 125.41 1uan h TRP 166 Ca 0.05 0.04 -0.08 0.00 2.11 0.00 0.00 58.89 61.02 1uan h TRP 166 Cb 0.03 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1uan h TRP 166 CO -0.05 -0.16 -0.18 1.49 -2.79 0.00 0.00 178.44 176.74 1uan h GLU 167 N 0.06 0.46 -0.59 2.65 4.81 -0.77 -2.68 114.58 118.52 1uan h GLU 167 Ca 0.25 -0.24 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1uan h GLU 167 Cb 0.38 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 1uan h GLU 167 CO -0.47 0.81 0.31 0.00 -0.73 0.00 0.00 179.01 178.93 1uan h ALA 168 N 0.64 0.77 -0.58 2.92 0.00 -0.49 -0.12 119.26 122.41 1uan h ALA 168 Ca 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1uan h ALA 168 Cb 0.72 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1uan h ALA 168 CO 0.05 -0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.40 1uan h ALA 169 N 1.32 1.17 -0.30 0.00 0.00 -0.78 0.15 119.26 120.82 1uan h ALA 169 Ca 0.27 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1uan h ALA 169 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1uan h ALA 169 CO -0.18 0.57 -0.17 0.28 0.00 0.00 0.00 179.25 179.75 1uan h VAL 170 N 0.85 1.30 0.00 0.00 2.07 -1.19 -3.00 116.25 116.28 1uan h VAL 170 Ca 0.19 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1uan h VAL 170 Cb 0.30 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1uan h VAL 170 CO -0.00 0.41 -0.07 -0.07 0.02 0.00 0.00 177.57 177.86 1uan h LEU 171 N 0.39 0.00 -1.85 2.57 3.38 -0.52 -2.58 115.31 116.70 1uan h LEU 171 Ca 0.06 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.22 1uan h LEU 171 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1uan h LEU 171 CO 0.05 0.07 0.62 0.00 0.09 0.00 0.00 178.44 179.27 1uan h ALA 172 N 1.93 2.44 -0.16 1.53 0.00 -0.57 -2.96 119.26 121.47 1uan h ALA 172 Ca -0.00 -0.02 -0.70 0.00 0.00 0.00 0.00 54.91 54.18 1uan h ALA 172 Cb 0.43 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1uan h ALA 172 CO 0.01 -0.95 3.20 0.66 0.00 0.00 0.00 179.25 182.17 1uan n TYR 173 N -3.77 2.98 -0.32 0.00 4.02 -0.97 -4.68 117.16 114.42 1uan n TYR 173 Ca 0.13 -2.99 0.15 0.00 -0.01 0.00 0.00 57.90 55.18 1uan n TYR 173 Cb 0.86 -2.40 0.34 0.00 -0.02 0.00 0.00 39.34 38.12 1uan n TYR 173 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1uan h ARG 174 N 5.49 0.46 0.00 -0.72 2.47 -1.82 -0.76 114.38 119.50 1uan h ARG 174 Ca 0.67 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 59.31 1uan h ARG 174 Cb 0.48 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1uan h ARG 174 CO 1.79 0.30 -0.27 0.66 0.56 0.00 0.00 179.97 183.01 1uan h SER 175 N 0.47 0.00 0.81 7.04 4.64 -1.91 -2.48 113.55 122.12 1uan h SER 175 Ca 0.59 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.78 1uan h SER 175 Cb 1.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1uan h SER 175 CO -0.51 0.27 -0.63 1.56 -0.87 0.00 0.00 176.83 176.65 1uan h GLN 176 N 0.00 0.00 -3.60 4.77 1.08 -1.48 -3.43 115.11 112.45 1uan h GLN 176 Ca -0.00 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.57 1uan h GLN 176 Cb 0.48 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.51 1uan h GLN 176 CO 0.03 0.63 -0.69 -0.06 -0.95 0.00 0.00 178.83 177.79 1uan s PHE 177 N -3.39 2.82 -0.17 2.96 2.99 -0.94 -4.68 117.98 117.58 1uan s PHE 177 Ca -0.00 -2.77 -0.15 0.00 0.00 0.00 0.00 56.93 54.01 1uan s PHE 177 Cb 0.11 -2.47 -0.07 0.00 0.00 0.00 0.00 43.02 40.60 1uan s PHE 177 CO 0.75 -0.82 0.63 1.33 -0.00 0.00 0.00 175.22 177.12 1uan n VAL 186 N 3.70 0.00 0.00 -0.44 0.24 -1.26 -4.95 118.33 115.62 1uan n VAL 186 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1uan n VAL 186 Cb 0.36 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1uan n VAL 186 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uan n GLY 187 N 1.94 -0.54 0.09 7.63 0.00 -1.26 -4.91 105.19 108.15 1uan n GLY 187 Ca 0.15 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 1uan n GLY 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uan h PRO 188 N 0.00 -0.10 0.00 1.61 0.13 -1.92 0.72 132.00 132.44 1uan h PRO 188 Ca 0.00 0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1uan h PRO 188 Cb 0.00 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.14 1uan h PRO 188 CO 0.00 0.28 -0.58 0.87 -0.23 0.00 0.00 178.00 178.34 1uan h LYS 189 N -0.49 0.00 -0.51 0.86 1.57 -1.99 -2.95 116.57 113.06 1uan h LYS 189 Ca -0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1uan h LYS 189 Cb 0.42 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 1uan h LYS 189 CO 0.02 0.58 0.19 0.78 -0.57 0.00 0.00 179.45 180.45 1uan h GLY 190 N 1.83 0.68 0.81 3.86 0.00 -1.85 -0.84 103.07 107.57 1uan h GLY 190 Ca -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1uan h GLY 190 CO 0.08 0.03 -0.04 -2.08 0.00 0.00 0.00 176.54 174.53 1uan h VAL 191 N 0.38 1.28 -0.61 4.60 2.07 0.50 -1.87 116.25 122.60 1uan h VAL 191 Ca 0.24 -0.99 0.12 0.00 0.82 0.00 0.00 66.70 66.89 1uan h VAL 191 Cb 0.24 1.51 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 1uan h VAL 191 CO -0.23 0.30 0.07 -0.08 0.02 0.00 0.00 177.57 177.65 1uan h GLU 192 N 0.12 0.18 -0.20 1.57 4.81 -1.35 0.97 114.58 120.67 1uan h GLU 192 Ca 0.05 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1uan h GLU 192 Cb 0.47 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1uan h GLU 192 CO 0.02 0.12 -0.19 0.00 -0.73 0.00 0.00 179.01 178.23 1uan h ALA 193 N 1.53 1.30 0.00 2.92 0.00 -0.95 -0.04 119.26 124.01 1uan h ALA 193 Ca 0.32 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1uan h ALA 193 Cb 0.51 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1uan h ALA 193 CO -0.47 0.47 -1.04 0.00 0.00 0.00 0.00 179.25 178.21 1uan h ARG 194 N 0.33 0.00 -0.31 0.00 2.47 -0.47 0.04 114.38 116.44 1uan h ARG 194 Ca 0.06 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.61 1uan h ARG 194 Cb 0.52 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1uan h ARG 194 CO 0.03 0.79 -0.48 -0.22 0.56 0.00 0.00 179.97 180.66 1uan h LYS 195 N 0.00 0.84 -0.54 0.04 3.64 -0.58 -2.75 116.57 117.22 1uan h LYS 195 Ca -0.06 -0.49 -0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1uan h LYS 195 Cb 1.73 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.56 1uan h LYS 195 CO 0.11 1.12 0.32 0.00 -2.27 0.00 0.00 179.45 178.73 1uan h ALA 196 N 0.79 0.69 -0.66 5.00 0.00 -0.86 -1.24 119.26 122.99 1uan h ALA 196 Ca 0.03 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1uan h ALA 196 Cb 1.06 -0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 1uan h ALA 196 CO 0.11 0.18 -0.27 1.98 0.00 0.00 0.00 179.25 181.25 1uan h MET 197 N 0.73 -0.08 -0.58 0.00 1.85 -0.95 0.42 114.93 116.32 1uan h MET 197 Ca 0.19 0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.25 1uan h MET 197 Cb -0.00 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.02 1uan h MET 197 CO -0.04 -0.06 0.19 0.00 -0.40 0.00 0.00 176.91 176.61 1uan h ARG 198 N -0.09 0.87 -0.15 0.39 3.08 -1.20 0.77 114.38 118.05 1uan h ARG 198 Ca 0.29 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1uan h ARG 198 Cb 0.54 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1uan h ARG 198 CO -0.71 0.74 -0.04 -0.09 -1.07 0.00 0.00 179.97 178.79 1uan h ARG 199 N 0.85 0.29 0.51 0.04 9.65 -0.04 -1.30 114.38 124.37 1uan h ARG 199 Ca 0.19 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1uan h ARG 199 Cb 0.23 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1uan h ARG 199 CO -0.01 0.58 -0.25 -0.92 2.80 0.00 0.00 179.97 182.17 1uan h TYR 200 N -0.03 -0.64 -0.77 2.20 5.03 0.01 -0.93 116.97 121.85 1uan h TYR 200 Ca 0.04 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 1uan h TYR 200 Cb 0.48 0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.93 1uan h TYR 200 CO 0.06 -0.35 0.42 -1.49 -1.32 0.00 0.00 178.16 175.47 1uan h TRP 201 N -0.80 1.06 -0.87 -3.82 4.06 -0.95 -2.51 115.95 112.13 1uan h TRP 201 Ca -0.07 -0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.87 1uan h TRP 201 Cb 0.57 -0.34 -0.05 0.00 -1.00 0.00 0.00 29.16 28.35 1uan h TRP 201 CO -0.02 0.75 0.57 0.78 -3.56 0.00 0.00 178.44 176.96 1uan h GLY 202 N 1.06 1.24 1.72 1.49 0.00 -1.14 -2.66 103.07 104.78 1uan h GLY 202 Ca 0.27 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1uan h GLY 202 CO -0.04 0.43 0.14 -0.57 0.00 0.00 0.00 176.54 176.49 1uan h ASN 203 N 1.16 0.32 -0.81 0.19 -0.73 -0.70 -1.20 115.58 113.81 1uan h ASN 203 Ca 0.33 -0.02 0.19 0.00 1.87 0.00 0.00 56.30 58.67 1uan h ASN 203 Cb -0.10 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.36 1uan h ASN 203 CO -0.08 0.27 0.55 1.88 -0.37 0.00 0.00 177.43 179.68 1uan h TYR 204 N 0.37 0.38 -0.41 0.67 0.05 -1.43 -1.50 116.97 115.10 1uan h TYR 204 Ca 0.10 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1uan h TYR 204 Cb 0.02 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.65 1uan h TYR 204 CO 0.00 0.12 0.00 1.28 -1.05 0.00 0.00 178.16 178.51 1uan n LEU 205 N -4.45 3.80 -0.91 3.88 7.99 -0.55 -4.97 117.00 121.78 1uan n LEU 205 Ca 0.16 -2.47 -0.09 0.00 -0.01 0.00 0.00 56.01 53.60 1uan n LEU 205 Cb 0.67 -0.44 -0.01 0.00 -0.11 0.00 0.00 43.42 43.53 1uan n LEU 205 CO 0.33 0.74 -0.11 0.61 -1.51 0.00 0.00 177.39 177.45 1uan n GLY 206 N 0.35 0.30 3.37 -0.72 0.00 -0.57 -5.03 105.19 102.89 1uan n GLY 206 Ca 0.19 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 1uan n GLY 206 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uan s VAL 207 N -2.41 1.81 0.15 1.61 -7.23 -0.65 -5.00 120.40 108.69 1uan s VAL 207 Ca 0.00 -2.23 -0.13 0.00 -1.81 0.00 0.00 61.98 57.81 1uan s VAL 207 Cb 0.00 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.85 1uan s VAL 207 CO 0.00 -0.54 1.64 0.44 -0.31 0.00 0.00 175.10 176.33 1uan h ASP 208 N 2.49 0.78 -4.05 4.85 3.32 -1.92 -2.89 116.42 119.00 1uan h ASP 208 Ca -0.38 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.26 1uan h ASP 208 Cb 1.23 -0.21 -0.24 0.00 0.22 0.00 0.00 39.33 40.33 1uan h ASP 208 CO 0.62 0.83 -0.40 -0.31 -1.72 0.00 0.00 179.24 178.27 1uan s TYR 209 N -5.22 -0.25 -0.01 4.55 1.51 -1.26 -4.27 117.35 112.39 1uan s TYR 209 Ca -0.13 0.59 -0.16 0.00 -1.01 0.00 0.00 57.07 56.37 1uan s TYR 209 Cb 0.11 0.09 0.03 0.00 -0.11 0.00 0.00 41.96 42.08 1uan s TYR 209 CO 0.80 -0.18 0.33 0.00 -1.11 0.00 0.00 175.55 175.40 1uan s ALA 210 N -0.15 -0.85 -0.17 3.71 0.00 -0.73 -1.95 121.76 121.62 1uan s ALA 210 Ca -0.03 0.38 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 1uan s ALA 210 Cb -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1uan s ALA 210 CO 0.01 -0.27 0.01 -1.21 0.00 0.00 0.00 175.76 174.30 1uan s GLU 211 N -1.37 3.82 0.16 0.00 2.02 -0.07 -4.31 118.70 118.95 1uan s GLU 211 Ca -0.13 -0.43 -0.20 0.00 0.02 0.00 0.00 54.97 54.22 1uan s GLU 211 Cb -0.05 -3.07 -0.08 0.00 0.10 0.00 0.00 34.13 31.04 1uan s GLU 211 CO 0.04 0.25 0.67 -1.25 0.02 0.00 0.00 175.26 174.99 1uan s PRO 212 N 0.39 4.27 0.09 0.39 0.04 -1.26 -0.15 135.00 138.78 1uan s PRO 212 Ca -0.00 0.85 0.01 0.00 0.04 0.00 0.00 61.00 61.90 1uan s PRO 212 Cb -0.13 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1uan s PRO 212 CO 0.02 0.51 -0.06 -0.06 0.04 0.00 0.00 177.00 177.46 1uan s PHE 213 N -1.31 0.84 -0.03 0.56 0.40 -0.87 -4.39 117.98 113.17 1uan s PHE 213 Ca 0.37 -0.95 0.05 0.00 -0.60 0.00 0.00 56.93 55.80 1uan s PHE 213 Cb -0.19 -0.50 -0.01 0.00 0.51 0.00 0.00 43.02 42.83 1uan s PHE 213 CO 0.21 -0.19 -0.18 0.08 0.70 0.00 0.00 175.22 175.84 1uan s VAL 214 N -3.68 1.48 -0.05 -0.44 1.01 -0.10 -0.41 120.40 118.22 1uan s VAL 214 Ca 0.12 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1uan s VAL 214 Cb 0.06 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1uan s VAL 214 CO -0.05 0.42 -0.14 -0.55 0.00 0.00 0.00 175.10 174.78 1uan s SER 215 N -0.18 1.86 0.42 3.32 0.15 -1.26 -0.54 113.70 117.48 1uan s SER 215 Ca 0.01 -0.31 0.30 0.00 0.70 0.00 0.00 55.95 56.65 1uan s SER 215 Cb -0.10 -0.67 1.36 0.00 -1.71 0.00 0.00 66.02 64.91 1uan s SER 215 CO 0.01 0.09 1.89 1.55 1.20 0.00 0.00 173.24 177.98 1uan h PRO 216 N 6.59 0.00 -6.39 5.44 0.13 -2.01 -3.43 132.00 132.33 1uan h PRO 216 Ca -0.32 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.15 1uan h PRO 216 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 1uan h PRO 216 CO 0.48 0.00 -0.71 -0.51 -0.23 0.00 0.00 178.00 177.02 1uan s LEU 217 N -5.26 3.14 0.43 1.56 1.43 -1.26 -5.10 118.68 113.63 1uan s LEU 217 Ca 0.01 -0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 52.62 1uan s LEU 217 Cb 0.09 -1.86 -0.08 0.00 0.03 0.00 0.00 46.19 44.37 1uan s LEU 217 CO 0.40 0.24 1.39 -2.16 0.23 0.00 0.00 176.35 176.45 1uan s PRO 218 N -1.75 3.78 0.56 1.29 0.04 -1.26 -4.97 135.00 132.69 1uan s PRO 218 Ca 0.19 2.34 -0.13 0.00 0.04 0.00 0.00 61.00 63.43 1uan s PRO 218 Cb -0.11 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.68 1uan s PRO 218 CO 0.11 -0.71 0.99 0.14 0.04 0.00 0.00 177.00 177.57 1uan s VAL 219 N -1.22 4.64 -0.57 -0.36 -7.23 -1.26 -4.98 120.40 109.42 1uan s VAL 219 Ca 0.59 1.01 -0.25 0.00 -1.81 0.00 0.00 61.98 61.52 1uan s VAL 219 Cb -0.42 -3.80 0.04 0.00 0.56 0.00 0.00 36.38 32.76 1uan s VAL 219 CO 0.54 -0.91 1.03 -0.76 -0.31 0.00 0.00 175.10 174.69 1uan s LEU 220 N -4.62 3.88 0.18 1.32 1.43 -1.26 -5.00 118.68 114.61 1uan s LEU 220 Ca 0.56 -0.24 0.11 0.00 -1.03 0.00 0.00 54.13 53.53 1uan s LEU 220 Cb -0.10 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 1uan s LEU 220 CO 0.43 -1.33 -0.22 -0.47 0.23 0.00 0.00 176.35 174.98 1uan s TYR 221 N 4.32 2.36 -0.32 0.29 6.04 -1.26 -5.10 117.35 123.68 1uan s TYR 221 Ca 0.34 -0.34 -0.02 0.00 0.04 0.00 0.00 57.07 57.09 1uan s TYR 221 Cb -0.11 -1.19 0.06 0.00 -1.04 0.00 0.00 41.96 39.68 1uan s TYR 221 CO 0.21 0.47 0.05 0.08 -1.54 0.00 0.00 175.55 174.82 1uan s VAL 222 N -1.56 3.11 -0.54 3.14 1.01 -1.26 -5.00 120.40 119.30 1uan s VAL 222 Ca 0.20 -1.50 0.23 0.00 0.00 0.00 0.00 61.98 60.91 1uan s VAL 222 Cb -0.08 -2.86 0.23 0.00 0.00 0.00 0.00 36.38 33.67 1uan s VAL 222 CO 0.10 -0.23 1.69 -0.81 0.00 0.00 0.00 175.10 175.85 1uan n PRO 223 N 4.63 0.17 -0.34 2.72 -0.04 -1.26 -1.07 135.00 139.82 1uan n PRO 223 Ca -0.11 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1uan n PRO 223 Cb 0.43 -1.83 0.30 0.00 -0.04 0.00 0.00 33.50 32.36 1uan n PRO 223 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1uan n TRP 224 N -2.16 0.90 -1.72 0.54 2.14 -1.26 -5.02 117.44 110.86 1uan n TRP 224 Ca 0.02 -0.47 -0.30 0.00 2.07 0.00 0.00 57.50 58.82 1uan n TRP 224 Cb 0.23 -0.00 0.06 0.00 -0.81 0.00 0.00 31.31 30.78 1uan n TRP 224 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1uan s SER 225 N -1.06 5.24 0.51 -0.67 1.04 -0.23 -5.03 113.70 113.50 1uan s SER 225 Ca 0.47 1.31 -0.17 0.00 0.48 0.00 0.00 55.95 58.04 1uan s SER 225 Cb 0.25 -2.14 -0.08 0.00 0.10 0.00 0.00 66.02 64.14 1uan s SER 225 CO 0.32 -1.49 0.98 -0.13 0.98 0.00 0.00 173.24 173.91 1uan s ARG 226 N -5.21 3.96 0.00 4.02 0.52 -1.26 -5.06 118.95 115.91 1uan s ARG 226 Ca 0.59 1.00 0.13 0.00 -0.52 0.00 0.00 55.73 56.93 1uan s ARG 226 Cb -0.13 -2.14 0.80 0.00 0.52 0.00 0.00 34.95 34.01 1uan s ARG 226 CO 0.53 -0.26 1.23 0.00 0.02 0.00 0.00 175.30 176.82