#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqv n ASP 2 N 0.00 -1.06 -4.50 -3.46 9.92 -1.26 -4.81 116.55 111.38 1sqv n ASP 2 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 1sqv n ASP 2 Cb 0.00 -1.00 -0.10 0.00 -0.64 0.00 0.00 41.12 39.38 1sqv n ASP 2 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1sqv s LEU 3 N 0.00 2.38 -0.00 0.64 1.02 -1.26 -5.05 118.68 116.41 1sqv s LEU 3 Ca 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 54.13 52.69 1sqv s LEU 3 Cb 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 46.19 45.66 1sqv s LEU 3 CO 0.00 -0.65 -0.01 -1.61 0.02 0.00 0.00 176.35 174.10 1sqv s GLU 4 N -3.81 0.13 -0.05 1.70 0.41 -1.26 -4.23 118.70 111.59 1sqv s GLU 4 Ca 0.29 -0.05 0.05 0.00 -0.41 0.00 0.00 54.97 54.86 1sqv s GLU 4 Cb 0.07 -0.13 -0.01 0.00 -1.78 0.00 0.00 34.13 32.28 1sqv s GLU 4 CO 0.14 0.02 -0.21 -1.17 -0.49 0.00 0.00 175.26 173.55 1sqv s LEU 5 N 0.01 2.00 -0.08 1.80 2.96 -1.26 -5.16 118.68 118.95 1sqv s LEU 5 Ca 0.00 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.43 1sqv s LEU 5 Cb -0.01 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 1sqv s LEU 5 CO -0.00 0.21 0.10 -1.00 -1.32 0.00 0.00 176.35 174.33 1sqv s HIS 6 N -0.09 3.43 0.76 5.38 3.76 -1.26 -4.76 115.29 122.50 1sqv s HIS 6 Ca -0.03 0.38 -0.15 0.00 -0.15 0.00 0.00 55.06 55.11 1sqv s HIS 6 Cb -0.13 -1.86 0.02 0.00 1.11 0.00 0.00 32.58 31.73 1sqv s HIS 6 CO 0.03 0.63 0.91 -2.30 -0.85 0.00 0.00 174.74 173.16 1sqv n PRO 7 N 1.82 0.34 -2.23 8.40 -0.02 -1.26 -5.06 135.00 136.98 1sqv n PRO 7 Ca -0.18 0.17 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1sqv n PRO 7 Cb 0.54 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1sqv n PRO 7 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1sqv s PRO 8 N -3.46 2.87 -0.60 0.52 0.04 -1.26 -5.03 135.00 128.08 1sqv s PRO 8 Ca 0.71 0.13 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 1sqv s PRO 8 Cb -0.32 -2.19 0.15 0.00 0.04 0.00 0.00 34.50 32.17 1sqv s PRO 8 CO 0.53 -0.83 0.58 -1.54 0.04 0.00 0.00 177.00 175.78 1sqv s SER 9 N -4.33 6.31 0.03 6.66 1.04 -1.26 -4.84 113.70 117.30 1sqv s SER 9 Ca 0.55 -1.94 -0.29 0.00 0.48 0.00 0.00 55.95 54.76 1sqv s SER 9 Cb -0.11 -2.22 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 1sqv s SER 9 CO 0.47 -0.83 0.93 -0.31 0.98 0.00 0.00 173.24 174.48 1sqv s TYR 10 N 1.42 3.70 -1.23 5.02 2.02 -1.26 -4.96 117.35 122.06 1sqv s TYR 10 Ca 0.07 1.66 -0.19 0.00 -0.37 0.00 0.00 57.07 58.24 1sqv s TYR 10 Cb -0.25 -3.05 0.05 0.00 -0.40 0.00 0.00 41.96 38.31 1sqv s TYR 10 CO 0.01 0.08 1.71 -2.14 -1.57 0.00 0.00 175.55 173.64 1sqv s PRO 11 N 0.64 3.75 1.04 -1.71 0.02 -1.26 -4.97 135.00 132.50 1sqv s PRO 11 Ca 0.48 -1.73 -0.12 0.00 0.02 0.00 0.00 61.00 59.65 1sqv s PRO 11 Cb -0.21 -5.47 0.21 0.00 0.02 0.00 0.00 34.50 29.05 1sqv s PRO 11 CO 0.27 -2.44 1.07 -1.58 -0.33 0.00 0.00 177.00 173.99 1sqv s TRP 12 N 5.13 1.81 -2.00 6.54 0.52 -1.26 -4.91 118.94 124.77 1sqv s TRP 12 Ca 0.54 1.18 0.11 0.00 0.02 0.00 0.00 56.10 57.95 1sqv s TRP 12 Cb 0.03 -3.18 0.63 0.00 -1.15 0.00 0.00 33.47 29.79 1sqv s TRP 12 CO 0.05 -3.18 1.13 0.43 0.02 0.00 0.00 176.95 175.40 1sqv n SER 13 N -4.42 0.00 0.00 2.95 7.64 -1.26 -3.67 113.62 114.86 1sqv n SER 13 Ca 0.05 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1sqv n SER 13 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1sqv n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqv n HIS 14 N -0.77 0.00 -0.08 1.43 -0.00 -1.26 -4.27 115.22 110.28 1sqv n HIS 14 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.73 1sqv n HIS 14 Cb 0.04 0.03 -0.01 0.00 -0.00 0.00 0.00 29.99 30.05 1sqv n HIS 14 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1sqv h ARG 15 N 0.00 -0.21 -6.90 -1.40 2.43 -1.87 -3.46 114.38 102.96 1sqv h ARG 15 Ca 0.00 0.01 -0.56 0.00 -0.81 0.00 0.00 59.98 58.63 1sqv h ARG 15 Cb 0.55 0.05 0.18 0.00 -0.42 0.00 0.00 29.97 30.32 1sqv h ARG 15 CO 0.00 -0.14 0.02 0.41 -1.51 0.00 0.00 179.97 178.75 1sqv n GLY 16 N -1.39 -0.61 0.12 2.80 0.00 -1.26 -4.95 105.19 99.91 1sqv n GLY 16 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 1sqv n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sqv h LEU 17 N -0.25 0.31 -5.09 0.99 3.38 -1.98 -3.13 115.31 109.54 1sqv h LEU 17 Ca -0.47 -0.35 -0.74 0.00 0.09 0.00 0.00 57.88 56.41 1sqv h LEU 17 Cb 1.34 -0.09 -0.30 0.00 0.09 0.00 0.00 40.66 41.70 1sqv h LEU 17 CO 0.46 0.59 0.70 0.18 0.09 0.00 0.00 178.44 180.47 1sqv n LEU 18 N -4.69 6.93 -4.00 1.67 4.77 -1.26 -4.89 117.00 115.53 1sqv n LEU 18 Ca -0.05 -5.01 -0.30 0.00 -0.03 0.00 0.00 56.01 50.62 1sqv n LEU 18 Cb 0.25 -0.96 -0.16 0.00 -2.33 0.00 0.00 43.42 40.22 1sqv n LEU 18 CO 0.37 1.90 -0.46 -0.44 -1.33 0.00 0.00 177.39 177.43 1sqv s SER 19 N -1.62 3.30 0.72 -1.43 0.01 -1.19 -5.06 113.70 108.43 1sqv s SER 19 Ca 0.50 -0.83 -0.12 0.00 1.31 0.00 0.00 55.95 56.80 1sqv s SER 19 Cb 0.39 -1.23 0.03 0.00 0.21 0.00 0.00 66.02 65.42 1sqv s SER 19 CO -0.33 -0.13 1.09 -0.55 0.41 0.00 0.00 173.24 173.72 1sqv s SER 20 N 1.41 4.90 0.51 2.44 0.15 -1.26 -4.56 113.70 117.28 1sqv s SER 20 Ca -0.00 1.83 -0.22 0.00 0.70 0.00 0.00 55.95 58.26 1sqv s SER 20 Cb -0.16 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.57 1sqv s SER 20 CO -0.09 -1.77 1.26 -0.76 1.20 0.00 0.00 173.24 173.08 1sqv s LEU 21 N -5.48 3.92 -0.75 3.45 1.43 -1.26 -4.17 118.68 115.83 1sqv s LEU 21 Ca 0.62 2.53 -0.26 0.00 -1.03 0.00 0.00 54.13 55.99 1sqv s LEU 21 Cb -0.17 -4.27 0.04 0.00 0.03 0.00 0.00 46.19 41.82 1sqv s LEU 21 CO 0.51 -1.25 1.23 -0.62 0.23 0.00 0.00 176.35 176.45 1sqv s ASP 22 N -1.17 6.19 0.26 2.29 -1.08 -1.26 -4.92 116.67 116.98 1sqv s ASP 22 Ca 0.68 -0.64 -0.03 0.00 -0.52 0.00 0.00 52.55 52.04 1sqv s ASP 22 Cb -0.34 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 38.92 1sqv s ASP 22 CO 0.41 -1.73 1.81 0.45 0.52 0.00 0.00 175.17 176.62 1sqv h HIS 23 N 9.91 0.95 -0.96 -5.34 3.86 -1.94 0.24 115.15 121.87 1sqv h HIS 23 Ca -0.24 -0.09 0.09 0.00 -1.16 0.00 0.00 60.37 58.97 1sqv h HIS 23 Cb 1.05 -0.28 -0.07 0.00 1.06 0.00 0.00 27.41 29.17 1sqv h HIS 23 CO 1.11 0.77 0.61 1.15 0.86 0.00 0.00 177.93 182.43 1sqv h THR 24 N 0.89 1.00 0.00 2.45 2.02 -1.92 -0.66 112.91 116.70 1sqv h THR 24 Ca 0.20 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 1sqv h THR 24 Cb 0.29 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 1sqv h THR 24 CO -0.00 0.19 -0.60 -1.28 0.37 0.00 0.00 175.52 174.20 1sqv h SER 25 N 1.04 0.00 -0.41 4.18 0.87 -1.47 -2.82 113.55 114.95 1sqv h SER 25 Ca 0.44 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.91 1sqv h SER 25 Cb 0.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1sqv h SER 25 CO -0.21 0.60 -0.10 0.40 -0.53 0.00 0.00 176.83 176.98 1sqv h ILE 26 N 0.00 1.27 -0.41 2.23 2.04 -0.56 -2.92 117.51 119.17 1sqv h ILE 26 Ca -0.01 -1.20 0.06 0.00 1.00 0.00 0.00 64.86 64.71 1sqv h ILE 26 Cb 1.14 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 1sqv h ILE 26 CO 0.08 0.40 0.11 -0.09 0.00 0.00 0.00 178.15 178.65 1sqv h ARG 27 N 0.61 0.24 -0.37 2.37 2.43 -0.88 0.12 114.38 118.91 1sqv h ARG 27 Ca 0.10 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1sqv h ARG 27 Cb 0.63 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1sqv h ARG 27 CO 0.04 0.16 0.09 0.00 -1.51 0.00 0.00 179.97 178.75 1sqv h ARG 28 N 0.25 0.54 -0.22 0.20 3.08 -1.62 -2.86 114.38 113.76 1sqv h ARG 28 Ca 0.20 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 1sqv h ARG 28 Cb 0.22 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1sqv h ARG 28 CO -0.24 0.50 -0.27 0.78 -1.07 0.00 0.00 179.97 179.68 1sqv h GLY 29 N 0.77 0.45 0.94 0.04 0.00 -0.60 0.22 103.07 104.89 1sqv h GLY 29 Ca 0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1sqv h GLY 29 CO -0.00 0.34 0.15 -2.75 0.00 0.00 0.00 176.54 174.28 1sqv h PHE 30 N 0.37 0.58 -0.81 5.60 3.57 -1.06 -2.02 116.94 123.16 1sqv h PHE 30 Ca 0.05 -0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.62 1sqv h PHE 30 Cb 0.67 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 1sqv h PHE 30 CO 0.02 0.52 0.43 1.96 -2.23 0.00 0.00 178.31 179.01 1sqv h GLN 31 N 0.47 0.68 -0.74 1.11 4.20 -1.16 0.12 115.11 119.78 1sqv h GLN 31 Ca 0.13 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1sqv h GLN 31 Cb 0.19 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1sqv h GLN 31 CO -0.01 0.45 0.32 0.28 -0.67 0.00 0.00 178.83 179.19 1sqv h VAL 32 N 0.70 1.25 0.57 -0.54 2.07 -0.91 -2.32 116.25 117.06 1sqv h VAL 32 Ca 0.41 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1sqv h VAL 32 Cb 0.45 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1sqv h VAL 32 CO -0.29 0.31 -0.27 0.22 0.02 0.00 0.00 177.57 177.56 1sqv h TYR 33 N 1.07 -0.71 -0.94 1.57 3.20 -0.23 -1.77 116.97 119.15 1sqv h TYR 33 Ca 0.25 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1sqv h TYR 33 Cb 0.17 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 1sqv h TYR 33 CO 0.02 -0.38 0.58 -0.22 -1.64 0.00 0.00 178.16 176.51 1sqv h LYS 34 N -1.06 1.27 0.04 1.82 3.64 -0.78 0.59 116.57 122.08 1sqv h LYS 34 Ca -0.08 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1sqv h LYS 34 Cb 0.65 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1sqv h LYS 34 CO 0.13 0.88 -0.02 1.96 -2.27 0.00 0.00 179.45 180.13 1sqv h GLN 35 N 1.29 -0.06 0.00 1.90 4.20 -1.53 -3.40 115.11 117.52 1sqv h GLN 35 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1sqv h GLN 35 Cb -0.07 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1sqv h GLN 35 CO -0.07 0.56 -0.63 0.28 -0.67 0.00 0.00 178.83 178.31 1sqv n VAL 36 N -4.75 1.12 0.02 -0.54 0.31 -0.67 -4.70 118.33 109.12 1sqv n VAL 36 Ca -0.07 0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.37 1sqv n VAL 36 Cb 0.31 -2.16 -0.01 0.00 -0.91 0.00 0.00 33.84 31.07 1sqv n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqv h SER 38 N 0.40 0.00 0.00 0.00 4.64 -1.17 0.16 113.55 117.57 1sqv h SER 38 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1sqv h SER 38 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1sqv h SER 38 CO 0.14 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.56 1sqv n SER 39 N -2.91 0.00 0.00 4.97 3.41 -1.26 -3.93 113.62 113.91 1sqv n SER 39 Ca 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 1sqv n SER 39 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1sqv n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqv s HIS 41 N 0.00 0.77 0.32 0.00 4.02 -0.36 -4.79 115.29 115.24 1sqv s HIS 41 Ca 0.00 -0.23 -0.28 0.00 1.02 0.00 0.00 55.06 55.57 1sqv s HIS 41 Cb 0.00 -0.75 -0.10 0.00 -1.02 0.00 0.00 32.58 30.71 1sqv s HIS 41 CO 0.00 -0.27 1.20 -1.54 1.02 0.00 0.00 174.74 175.15 1sqv s SER 42 N 1.37 6.92 -0.44 1.40 1.04 -1.26 -4.49 113.70 118.25 1sqv s SER 42 Ca -0.04 2.46 0.06 0.00 0.48 0.00 0.00 55.95 58.92 1sqv s SER 42 Cb -0.13 -2.63 0.21 0.00 0.10 0.00 0.00 66.02 63.56 1sqv s SER 42 CO -0.03 -0.41 0.45 0.80 0.98 0.00 0.00 173.24 175.04 1sqv n MET 43 N 0.81 0.67 0.30 4.02 0.00 -1.26 -0.41 117.12 121.26 1sqv n MET 43 Ca 0.00 -3.37 0.18 0.00 0.00 0.00 0.00 57.70 54.51 1sqv n MET 43 Cb 0.44 -1.55 0.92 0.00 0.00 0.00 0.00 33.22 33.03 1sqv n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1sqv h ASP 44 N 4.81 0.00 0.00 6.12 5.19 -1.96 -3.24 116.42 127.35 1sqv h ASP 44 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1sqv h ASP 44 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1sqv h ASP 44 CO 0.46 0.03 -0.96 -1.22 -3.12 0.00 0.00 179.24 174.43 1sqv n TYR 45 N -3.24 0.00 -3.53 4.55 4.01 -1.26 -4.74 117.16 112.95 1sqv n TYR 45 Ca -0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.48 1sqv n TYR 45 Cb 0.19 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 1sqv n TYR 45 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1sqv s VAL 46 N -2.23 5.14 0.15 -0.72 1.01 -1.22 -5.01 120.40 117.51 1sqv s VAL 46 Ca -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1sqv s VAL 46 Cb 0.06 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1sqv s VAL 46 CO 0.34 -0.45 0.08 0.00 0.00 0.00 0.00 175.10 175.06 1sqv s ALA 47 N -2.18 0.93 0.31 5.51 0.00 -1.26 -1.87 121.76 123.19 1sqv s ALA 47 Ca 0.39 -1.52 0.13 0.00 0.00 0.00 0.00 51.96 50.96 1sqv s ALA 47 Cb -0.10 1.00 0.61 0.00 0.00 0.00 0.00 23.12 24.63 1sqv s ALA 47 CO 0.33 -0.51 1.74 1.88 0.00 0.00 0.00 175.76 179.20 1sqv h TYR 48 N 2.80 0.00 0.00 0.00 0.05 -1.59 -2.31 116.97 115.92 1sqv h TYR 48 Ca -0.35 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.37 1sqv h TYR 48 Cb 1.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 1sqv h TYR 48 CO 0.41 0.45 -0.26 0.07 -1.05 0.00 0.00 178.16 177.78 1sqv h ARG 49 N 0.00 0.00 0.00 4.88 0.11 -1.53 -3.12 114.38 114.72 1sqv h ARG 49 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1sqv h ARG 49 Cb 0.84 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.92 1sqv h ARG 49 CO 0.06 0.26 -0.18 0.45 0.10 0.00 0.00 179.97 180.66 1sqv h HIS 50 N 0.00 0.00 0.00 4.08 3.86 -1.71 -2.27 115.15 119.12 1sqv h HIS 50 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1sqv h HIS 50 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1sqv h HIS 50 CO 0.00 0.18 0.00 1.28 0.86 0.00 0.00 177.93 180.25 1sqv n LEU 51 N -3.83 0.15 0.06 2.43 4.77 -1.18 -4.27 117.00 115.12 1sqv n LEU 51 Ca -0.02 0.52 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 1sqv n LEU 51 Cb 0.28 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 1sqv n LEU 51 CO 0.33 -0.08 0.20 0.58 -1.33 0.00 0.00 177.39 177.08 1sqv h VAL 52 N 0.00 1.38 0.12 4.08 2.07 -1.55 -1.92 116.25 120.43 1sqv h VAL 52 Ca 0.00 -2.36 0.02 0.00 0.82 0.00 0.00 66.70 65.18 1sqv h VAL 52 Cb 0.49 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 1sqv h VAL 52 CO 0.00 0.71 -0.23 1.23 0.02 0.00 0.00 177.57 179.30 1sqv h GLY 53 N 1.11 -0.43 0.00 2.17 0.00 -1.77 -3.42 103.07 100.73 1sqv h GLY 53 Ca -0.08 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1sqv h GLY 53 CO 0.16 -0.21 -0.24 -2.08 0.00 0.00 0.00 176.54 174.18 1sqv h VAL 54 N -0.43 0.00 0.00 4.60 2.07 -1.59 -3.44 116.25 117.46 1sqv h VAL 54 Ca 0.03 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1sqv h VAL 54 Cb 0.45 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1sqv h VAL 54 CO -0.13 0.00 -0.91 0.00 0.02 0.00 0.00 177.57 176.55 1sqv s TYR 56 N -1.96 3.46 0.43 0.00 2.02 -1.04 -5.04 117.35 115.23 1sqv s TYR 56 Ca 0.00 0.65 -0.19 0.00 -0.37 0.00 0.00 57.07 57.16 1sqv s TYR 56 Cb 0.00 -2.09 -0.10 0.00 -0.40 0.00 0.00 41.96 39.37 1sqv s TYR 56 CO 0.00 0.32 0.92 -0.08 -1.57 0.00 0.00 175.55 175.13 1sqv s THR 57 N -1.83 4.47 0.00 -0.71 -1.32 -1.26 -4.29 115.64 110.70 1sqv s THR 57 Ca 0.43 1.33 0.00 0.00 -1.21 0.00 0.00 61.69 62.25 1sqv s THR 57 Cb -0.11 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.25 1sqv s THR 57 CO 0.25 -0.36 0.00 -0.62 -2.21 0.00 0.00 174.62 171.68 1sqv n GLU 58 N -0.77 0.00 -0.07 7.08 -0.58 -1.26 -1.25 120.64 123.79 1sqv n GLU 58 Ca 0.06 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.70 1sqv n GLU 58 Cb 0.54 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.44 1sqv n GLU 58 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1sqv h ASP 59 N 0.00 0.82 -0.29 1.62 5.19 -2.00 -3.02 116.42 118.74 1sqv h ASP 59 Ca 0.00 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 56.02 1sqv h ASP 59 Cb 0.00 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 1sqv h ASP 59 CO 0.00 1.12 0.13 -0.33 -3.12 0.00 0.00 179.24 177.04 1sqv h GLU 60 N 0.62 0.42 -0.77 3.56 5.08 -1.74 -3.10 114.58 118.66 1sqv h GLU 60 Ca 0.05 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1sqv h GLU 60 Cb 0.97 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1sqv h GLU 60 CO 0.09 0.42 0.30 0.00 -1.00 0.00 0.00 179.01 178.83 1sqv h ALA 61 N 0.97 0.99 -0.41 3.43 0.00 -1.12 -2.48 119.26 120.65 1sqv h ALA 61 Ca 0.10 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1sqv h ALA 61 Cb 0.15 -0.30 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 1sqv h ALA 61 CO -0.01 0.62 -0.37 0.87 0.00 0.00 0.00 179.25 180.36 1sqv h LYS 62 N 1.11 -0.27 0.00 0.00 1.57 -1.46 0.69 116.57 118.21 1sqv h LYS 62 Ca 0.25 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 1sqv h LYS 62 Cb 0.22 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1sqv h LYS 62 CO -0.02 -0.18 -0.28 0.00 -0.57 0.00 0.00 179.45 178.40 1sqv h ALA 63 N 0.63 0.92 0.03 3.86 0.00 -1.42 0.01 119.26 123.29 1sqv h ALA 63 Ca 0.16 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 1sqv h ALA 63 Cb 0.56 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1sqv h ALA 63 CO -0.56 0.35 -1.23 -0.07 0.00 0.00 0.00 179.25 177.74 1sqv h LEU 64 N 0.00 0.11 -1.58 0.00 3.38 -1.21 -2.97 115.31 113.04 1sqv h LEU 64 Ca -0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1sqv h LEU 64 Cb 0.94 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1sqv h LEU 64 CO 0.04 1.11 -0.11 0.00 0.09 0.00 0.00 178.44 179.57 1sqv h ALA 65 N 0.87 1.66 0.00 1.53 0.00 -0.28 -2.79 119.26 120.24 1sqv h ALA 65 Ca -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1sqv h ALA 65 Cb 1.87 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1sqv h ALA 65 CO 0.14 0.25 0.00 0.39 0.00 0.00 0.00 179.25 180.03 1sqv n GLU 66 N -4.34 0.44 -0.56 0.00 1.02 -0.06 -3.96 120.64 113.17 1sqv n GLU 66 Ca -0.01 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 1sqv n GLU 66 Cb 0.22 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.26 1sqv n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sqv n GLU 67 N -1.25 1.97 -3.66 3.49 1.02 -1.05 -4.83 120.64 116.32 1sqv n GLU 67 Ca 0.14 -1.50 -0.10 0.00 -0.02 0.00 0.00 57.16 55.68 1sqv n GLU 67 Cb 0.20 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 29.91 1sqv n GLU 67 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1sqv s VAL 68 N -1.69 0.05 -0.19 2.62 -7.23 -1.25 -5.09 120.40 107.62 1sqv s VAL 68 Ca 0.28 -0.63 -0.06 0.00 -1.81 0.00 0.00 61.98 59.75 1sqv s VAL 68 Cb 0.23 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 1sqv s VAL 68 CO 0.06 -0.24 0.03 -1.61 -0.31 0.00 0.00 175.10 173.03 1sqv s GLU 69 N -3.83 3.79 -0.20 4.82 0.41 -1.26 -4.45 118.70 117.99 1sqv s GLU 69 Ca 0.05 -0.43 -0.16 0.00 -0.41 0.00 0.00 54.97 54.02 1sqv s GLU 69 Cb 0.01 -3.16 -0.08 0.00 -1.78 0.00 0.00 34.13 29.12 1sqv s GLU 69 CO -0.09 0.13 -0.29 0.28 -0.49 0.00 0.00 175.26 174.80 1sqv n VAL 70 N 3.93 1.50 -1.62 2.63 0.31 0.14 -4.86 118.33 120.35 1sqv n VAL 70 Ca -0.17 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1sqv n VAL 70 Cb 0.52 -2.21 -0.00 0.00 -0.91 0.00 0.00 33.84 31.24 1sqv n VAL 70 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1sqv n GLN 71 N -4.43 -0.39 -1.95 5.55 7.27 -1.26 -4.82 117.38 117.36 1sqv n GLN 71 Ca -0.25 0.75 -0.29 0.00 0.07 0.00 0.00 57.00 57.29 1sqv n GLN 71 Cb 0.59 -1.45 0.10 0.00 2.41 0.00 0.00 30.24 31.89 1sqv n GLN 71 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1sqv s ASP 72 N -0.15 4.36 0.77 1.69 -1.08 -1.26 -4.89 116.67 116.11 1sqv s ASP 72 Ca -0.01 0.66 -0.04 0.00 -0.52 0.00 0.00 52.55 52.65 1sqv s ASP 72 Cb 0.00 -1.12 0.14 0.00 -1.46 0.00 0.00 42.92 40.49 1sqv s ASP 72 CO 0.08 -1.98 1.07 -0.83 0.52 0.00 0.00 175.17 174.03 1sqv s GLY 73 N -4.61 1.76 0.05 2.66 0.00 -1.26 -3.75 107.32 102.17 1sqv s GLY 73 Ca 0.63 -1.61 -0.28 0.00 0.00 0.00 0.00 44.72 43.46 1sqv s GLY 73 CO 0.49 -1.00 0.90 2.56 0.00 0.00 0.00 173.10 176.05 1sqv s PRO 74 N -5.31 4.59 -0.04 2.90 0.05 -1.26 -4.83 135.00 131.09 1sqv s PRO 74 Ca 0.68 1.30 -0.25 0.00 0.05 0.00 0.00 61.00 62.78 1sqv s PRO 74 Cb -0.05 -3.41 -0.04 0.00 0.05 0.00 0.00 34.50 31.06 1sqv s PRO 74 CO 0.46 0.13 0.77 1.21 0.05 0.00 0.00 177.00 179.63 1sqv s ASN 75 N 0.37 7.09 0.00 6.66 3.84 -1.26 -4.90 114.94 126.75 1sqv s ASN 75 Ca 0.46 1.32 0.00 0.00 0.21 0.00 0.00 52.86 54.85 1sqv s ASN 75 Cb -0.21 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 1sqv s ASN 75 CO 0.27 -0.14 0.00 -0.62 -2.79 0.00 0.00 177.10 173.81 1sqv n GLU 76 N 3.76 0.00 -0.01 0.43 -0.58 -1.26 -1.75 120.64 121.22 1sqv n GLU 76 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.76 1sqv n GLU 76 Cb 0.51 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.26 1sqv n GLU 76 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1sqv n ASP 77 N 0.00 0.36 -0.44 1.62 8.00 -1.26 -5.04 116.55 119.78 1sqv n ASP 77 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1sqv n ASP 77 Cb 0.00 0.97 0.00 0.00 -0.02 0.00 0.00 41.12 42.07 1sqv n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sqv n GLY 78 N 1.44 0.81 0.00 0.44 0.00 -0.72 -5.06 105.19 102.10 1sqv n GLY 78 Ca -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1sqv n GLY 78 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sqv n GLU 79 N -0.41 0.60 -2.44 1.61 -0.00 -1.26 -5.06 120.64 113.68 1sqv n GLU 79 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.14 1sqv n GLU 79 Cb 0.15 -0.90 -0.02 0.00 -0.00 0.00 0.00 31.44 30.67 1sqv n GLU 79 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1sqv n MET 80 N -2.19 -4.72 0.00 3.44 2.81 -1.26 -5.09 117.12 110.11 1sqv n MET 80 Ca 0.00 3.46 0.00 0.00 -1.81 0.00 0.00 57.70 59.35 1sqv n MET 80 Cb 0.40 -4.56 0.00 0.00 -0.71 0.00 0.00 33.22 28.35 1sqv n MET 80 CO 0.00 0.00 0.00 1.97 1.51 0.00 0.00 175.97 179.45 1sqv n PHE 81 N 1.85 0.00 -3.91 2.03 -1.74 -1.25 -5.03 117.46 109.42 1sqv n PHE 81 Ca -0.13 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.65 1sqv n PHE 81 Cb 0.21 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.11 1sqv n PHE 81 CO 0.00 0.00 0.00 1.41 -0.56 0.00 0.00 176.76 177.61 1sqv s MET 82 N 3.81 0.48 -0.03 3.97 1.75 -1.26 -4.24 119.30 123.78 1sqv s MET 82 Ca 0.00 -0.53 0.03 0.00 -1.25 0.00 0.00 55.69 53.95 1sqv s MET 82 Cb 0.00 0.19 -0.00 0.00 2.84 0.00 0.00 34.83 37.86 1sqv s MET 82 CO 0.00 -0.11 -0.13 0.50 -0.65 0.00 0.00 175.02 174.63 1sqv s ARG 83 N -1.70 1.30 0.30 4.11 3.52 -1.26 -4.76 118.95 120.46 1sqv s ARG 83 Ca -0.13 -0.44 0.05 0.00 -0.13 0.00 0.00 55.73 55.09 1sqv s ARG 83 Cb -0.06 -1.17 0.78 0.00 -1.56 0.00 0.00 34.95 32.93 1sqv s ARG 83 CO -0.00 0.18 1.69 -1.35 -0.81 0.00 0.00 175.30 175.01 1sqv h PRO 84 N 6.29 0.39 0.00 5.12 0.11 -1.92 0.44 132.00 142.42 1sqv h PRO 84 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1sqv h PRO 84 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sqv h PRO 84 CO 0.48 0.26 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 1sqv n GLY 85 N -1.33 2.52 0.26 -0.55 0.00 -1.26 -3.88 105.19 100.94 1sqv n GLY 85 Ca 0.24 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 1sqv n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqv n LYS 86 N 1.42 0.42 0.00 1.61 4.76 -1.26 -3.67 118.16 121.44 1sqv n LYS 86 Ca 0.00 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 1sqv n LYS 86 Cb 0.00 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1sqv n LYS 86 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1sqv n LEU 87 N -4.21 0.00 0.04 -0.35 4.77 -1.26 -4.60 117.00 111.39 1sqv n LEU 87 Ca -0.11 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 1sqv n LEU 87 Cb 0.41 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 1sqv n LEU 87 CO 0.16 0.00 -0.18 0.28 -1.33 0.00 0.00 177.39 176.32 1sqv h SER 88 N 1.38 0.11 -2.60 -1.43 0.02 -1.95 -1.46 113.55 107.62 1sqv h SER 88 Ca 0.00 -0.16 -0.60 0.00 -0.84 0.00 0.00 61.79 60.19 1sqv h SER 88 Cb 0.00 -0.04 0.11 0.00 0.14 0.00 0.00 62.40 62.61 1sqv h SER 88 CO 0.00 1.13 0.19 0.47 -1.14 0.00 0.00 176.83 177.48 1sqv n ASP 89 N -3.29 1.53 -3.75 3.07 8.00 -1.26 -4.96 116.55 115.89 1sqv n ASP 89 Ca -0.09 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.59 1sqv n ASP 89 Cb 1.00 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1sqv n ASP 89 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1sqv n TYR 90 N 0.24 -0.71 -3.66 1.24 4.01 -1.26 -3.36 117.16 113.66 1sqv n TYR 90 Ca 0.09 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.46 1sqv n TYR 90 Cb 0.33 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.28 1sqv n TYR 90 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1sqv s PHE 91 N 0.00 3.62 -0.71 -0.72 0.08 -0.78 -4.51 117.98 114.96 1sqv s PHE 91 Ca 0.00 -2.80 -0.27 0.00 0.12 0.00 0.00 56.93 53.98 1sqv s PHE 91 Cb 0.00 -3.25 0.03 0.00 -0.57 0.00 0.00 43.02 39.23 1sqv s PHE 91 CO 0.00 -0.81 1.26 -2.14 -0.10 0.00 0.00 175.22 173.44 1sqv s PRO 92 N -0.59 3.24 0.00 0.24 0.02 -1.26 -4.06 135.00 132.58 1sqv s PRO 92 Ca 0.21 -0.17 0.00 0.00 0.02 0.00 0.00 61.00 61.07 1sqv s PRO 92 Cb -0.14 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.22 1sqv s PRO 92 CO -0.07 -2.07 0.00 1.63 -0.33 0.00 0.00 177.00 176.16 1sqv n LYS 93 N 9.21 1.76 -0.09 5.54 4.76 -1.26 -5.03 118.16 133.04 1sqv n LYS 93 Ca 0.04 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.38 1sqv n LYS 93 Cb 0.49 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.65 1sqv n LYS 93 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1sqv h PRO 94 N 0.00 0.44 -4.85 1.97 0.13 -1.83 -3.40 132.00 124.45 1sqv h PRO 94 Ca 0.00 -0.09 -0.68 0.00 -0.87 0.00 0.00 66.00 64.36 1sqv h PRO 94 Cb 0.00 -0.06 -0.31 0.00 0.13 0.00 0.00 31.00 30.75 1sqv h PRO 94 CO 0.00 0.49 -0.71 0.71 -0.23 0.00 0.00 178.00 178.26 1sqv s TYR 95 N -5.43 3.13 -1.90 1.56 2.02 -1.26 -5.00 117.35 110.47 1sqv s TYR 95 Ca -0.13 -1.54 0.00 0.00 -0.37 0.00 0.00 57.07 55.03 1sqv s TYR 95 Cb 0.08 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 1sqv s TYR 95 CO 0.73 -0.72 0.92 -2.30 -1.57 0.00 0.00 175.55 172.61 1sqv n PRO 96 N 4.69 0.97 -4.46 -1.71 -0.02 -1.26 -4.72 135.00 128.49 1sqv n PRO 96 Ca -0.15 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.11 1sqv n PRO 96 Cb 0.46 -1.05 -0.11 0.00 -0.02 0.00 0.00 33.50 32.79 1sqv n PRO 96 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1sqv s ASN 97 N -0.93 2.69 0.06 2.55 2.47 -1.26 -5.02 114.94 115.50 1sqv s ASN 97 Ca 0.00 -1.30 -0.24 0.00 0.42 0.00 0.00 52.86 51.75 1sqv s ASN 97 Cb 0.00 -0.15 -0.16 0.00 -1.45 0.00 0.00 41.25 39.49 1sqv s ASN 97 CO 0.00 -0.48 1.63 -0.65 -3.72 0.00 0.00 177.10 173.88 1sqv h PRO 98 N 2.15 -0.01 -0.00 0.43 0.11 -2.02 -3.37 132.00 129.29 1sqv h PRO 98 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1sqv h PRO 98 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1sqv h PRO 98 CO 0.70 0.10 -0.13 -0.85 -0.21 0.00 0.00 178.00 177.61 1sqv n GLU 99 N -5.04 0.56 -0.09 1.05 0.00 -1.26 -1.65 120.64 114.20 1sqv n GLU 99 Ca -0.07 -0.18 0.10 0.00 0.00 0.00 0.00 57.16 57.00 1sqv n GLU 99 Cb 0.08 -1.50 0.36 0.00 0.00 0.00 0.00 31.44 30.38 1sqv n GLU 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sqv n ALA 100 N -1.06 2.52 -0.08 -1.84 0.00 -1.26 -0.46 120.51 118.32 1sqv n ALA 100 Ca 0.13 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 1sqv n ALA 100 Cb 0.29 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 1sqv n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqv n ALA 101 N 0.28 1.37 0.64 0.00 0.00 -0.66 -3.98 120.51 118.16 1sqv n ALA 101 Ca 0.15 -1.04 0.11 0.00 0.00 0.00 0.00 53.44 52.67 1sqv n ALA 101 Cb 0.31 -0.34 0.46 0.00 0.00 0.00 0.00 19.45 19.87 1sqv n ALA 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sqv n ARG 102 N -3.10 0.10 -0.09 0.00 1.74 -0.97 -1.35 116.66 112.98 1sqv n ARG 102 Ca -0.35 0.21 -0.22 0.00 -0.77 0.00 0.00 57.85 56.72 1sqv n ARG 102 Cb 1.06 -1.65 -0.12 0.00 -1.02 0.00 0.00 32.46 30.74 1sqv n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sqv n ALA 103 N -1.62 0.84 0.07 7.54 0.00 0.39 -4.21 120.51 123.52 1sqv n ALA 103 Ca 0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.90 1sqv n ALA 103 Cb 0.28 -0.53 0.21 0.00 0.00 0.00 0.00 19.45 19.41 1sqv n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sqv h ALA 104 N -0.42 1.09 -3.41 0.00 0.00 -1.67 -3.40 119.26 111.45 1sqv h ALA 104 Ca -0.39 -0.40 -0.66 0.00 0.00 0.00 0.00 54.91 53.47 1sqv h ALA 104 Cb 1.47 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 1sqv h ALA 104 CO -0.17 0.58 -0.68 -0.80 0.00 0.00 0.00 179.25 178.18 1sqv s ASN 105 N -6.86 4.88 -0.28 0.00 0.01 -0.46 -5.08 114.94 107.15 1sqv s ASN 105 Ca -0.05 -0.20 -0.29 0.00 -0.71 0.00 0.00 52.86 51.62 1sqv s ASN 105 Cb 0.13 -1.13 0.01 0.00 0.41 0.00 0.00 41.25 40.67 1sqv s ASN 105 CO 0.78 0.20 1.04 0.21 -1.51 0.00 0.00 177.10 177.82 1sqv s ASN 106 N -2.13 6.99 1.60 -1.22 3.84 -1.26 -4.44 114.94 118.31 1sqv s ASN 106 Ca 0.24 1.18 0.00 0.00 0.21 0.00 0.00 52.86 54.48 1sqv s ASN 106 Cb -0.11 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1sqv s ASN 106 CO 0.16 -0.77 0.00 0.61 -2.79 0.00 0.00 177.10 174.31 1sqv n GLY 107 N 3.64 3.42 2.57 1.21 0.00 -1.26 -4.93 105.19 109.84 1sqv n GLY 107 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 1sqv n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqv n ALA 108 N 11.24 -1.35 -2.62 4.61 0.00 -1.26 -4.40 120.51 126.73 1sqv n ALA 108 Ca 0.00 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 1sqv n ALA 108 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 1sqv n ALA 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sqv s LEU 109 N -0.11 4.04 -0.43 0.00 1.43 -1.26 -3.93 118.68 118.42 1sqv s LEU 109 Ca -0.03 0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 53.49 1sqv s LEU 109 Cb 0.00 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 43.03 1sqv s LEU 109 CO 0.08 -0.72 1.21 -2.16 0.23 0.00 0.00 176.35 174.98 1sqv s PRO 110 N 3.21 3.75 0.63 1.29 0.04 -1.26 -5.05 135.00 137.61 1sqv s PRO 110 Ca 0.36 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 1sqv s PRO 110 Cb -0.13 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.47 1sqv s PRO 110 CO 0.14 -1.34 1.04 -2.14 0.04 0.00 0.00 177.00 174.74 1sqv s PRO 111 N 4.44 3.34 0.29 0.56 0.02 -1.26 -4.62 135.00 137.78 1sqv s PRO 111 Ca 0.51 0.92 -0.29 0.00 0.02 0.00 0.00 61.00 62.16 1sqv s PRO 111 Cb -0.10 -2.04 -0.10 0.00 0.02 0.00 0.00 34.50 32.27 1sqv s PRO 111 CO 0.29 -0.78 1.40 0.16 -0.33 0.00 0.00 177.00 177.75 1sqv s ASP 112 N -3.69 6.65 0.00 2.53 -4.77 -1.26 -4.43 116.67 111.70 1sqv s ASP 112 Ca 0.58 2.72 0.13 0.00 -3.30 0.00 0.00 52.55 52.68 1sqv s ASP 112 Cb -0.13 -2.64 0.26 0.00 -1.09 0.00 0.00 42.92 39.32 1sqv s ASP 112 CO 0.49 -0.67 1.15 0.18 0.70 0.00 0.00 175.17 177.02 1sqv n LEU 113 N 1.60 2.69 -0.33 2.11 4.77 0.45 -4.20 117.00 124.09 1sqv n LEU 113 Ca 0.04 -1.58 -0.02 0.00 -0.03 0.00 0.00 56.01 54.42 1sqv n LEU 113 Cb 0.41 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1sqv n LEU 113 CO 0.60 0.62 0.49 -1.20 -1.33 0.00 0.00 177.39 176.57 1sqv n SER 114 N 0.73 -0.58 -0.60 -1.43 7.64 -1.26 -3.59 113.62 114.53 1sqv n SER 114 Ca 0.11 1.49 0.07 0.00 1.01 0.00 0.00 58.87 61.55 1sqv n SER 114 Cb 0.41 -0.33 0.09 0.00 -1.01 0.00 0.00 64.21 63.37 1sqv n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqv n TYR 115 N -5.24 0.16 0.20 1.43 0.18 -1.26 -2.78 117.16 109.85 1sqv n TYR 115 Ca 0.08 -0.14 0.08 0.00 1.88 0.00 0.00 57.90 59.80 1sqv n TYR 115 Cb 0.33 -0.01 0.31 0.00 -0.38 0.00 0.00 39.34 39.59 1sqv n TYR 115 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 1sqv h ILE 116 N 2.57 0.58 -0.52 -3.48 1.08 -1.77 -2.18 117.51 113.80 1sqv h ILE 116 Ca 0.00 -1.42 -0.10 0.00 -0.39 0.00 0.00 64.86 62.95 1sqv h ILE 116 Cb 0.62 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 36.33 1sqv h ILE 116 CO 0.00 0.27 -0.09 0.58 -0.69 0.00 0.00 178.15 178.23 1sqv h VAL 117 N 0.00 1.27 0.00 1.67 2.07 -1.86 -3.11 116.25 116.30 1sqv h VAL 117 Ca -0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1sqv h VAL 117 Cb 0.95 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1sqv h VAL 117 CO 0.04 0.43 -0.45 0.54 0.02 0.00 0.00 177.57 178.15 1sqv n ARG 118 N -4.21 0.09 0.00 1.57 1.74 -1.00 -3.71 116.66 111.14 1sqv n ARG 118 Ca 0.01 0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.24 1sqv n ARG 118 Cb 0.38 -1.56 0.26 0.00 -1.02 0.00 0.00 32.46 30.52 1sqv n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sqv n ALA 119 N -1.60 3.53 -1.64 7.54 0.00 -0.85 -4.94 120.51 122.55 1sqv n ALA 119 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1sqv n ALA 119 Cb 0.37 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1sqv n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sqv n ARG 120 N -1.47 0.10 -3.15 0.00 5.12 -1.21 -5.07 116.66 110.99 1sqv n ARG 120 Ca 0.06 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.03 1sqv n ARG 120 Cb 0.34 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.62 1sqv n ARG 120 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1sqv s HIS 121 N 2.59 -0.76 0.11 -1.55 3.76 -1.26 -5.02 115.29 113.16 1sqv s HIS 121 Ca 0.00 0.79 0.00 0.00 -0.15 0.00 0.00 55.06 55.70 1sqv s HIS 121 Cb 0.00 0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.95 1sqv s HIS 121 CO 0.00 -0.42 0.00 0.41 -0.85 0.00 0.00 174.74 173.88 1sqv n GLY 122 N 5.45 -4.02 0.00 -2.22 0.00 -1.26 -4.65 105.19 98.49 1sqv n GLY 122 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1sqv n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqv n GLY 123 N 0.10 1.34 0.13 -0.02 0.00 -1.26 -4.22 105.19 101.25 1sqv n GLY 123 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1sqv n GLY 123 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sqv h GLU 124 N 0.00 0.00 -0.67 1.61 3.07 -1.94 -3.32 114.58 113.33 1sqv h GLU 124 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1sqv h GLU 124 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 1sqv h GLU 124 CO 0.00 0.55 0.25 -0.44 -1.40 0.00 0.00 179.01 177.98 1sqv h ASP 125 N 0.00 0.92 0.14 1.42 3.32 -1.89 0.20 116.42 120.53 1sqv h ASP 125 Ca -0.02 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1sqv h ASP 125 Cb 1.45 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1sqv h ASP 125 CO 0.07 0.83 -0.23 0.22 -1.72 0.00 0.00 179.24 178.41 1sqv h TYR 126 N 0.98 -0.61 -0.30 4.55 5.03 -1.73 -2.45 116.97 122.44 1sqv h TYR 126 Ca 0.23 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.49 1sqv h TYR 126 Cb 0.21 0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1sqv h TYR 126 CO 0.02 -0.33 -0.05 0.28 -1.32 0.00 0.00 178.16 176.76 1sqv h VAL 127 N -0.44 1.27 -0.07 1.81 2.07 -1.40 0.18 116.25 119.68 1sqv h VAL 127 Ca 0.02 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1sqv h VAL 127 Cb 0.45 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1sqv h VAL 127 CO -0.11 0.34 0.05 0.15 0.02 0.00 0.00 177.57 178.01 1sqv h PHE 128 N 0.34 0.09 -0.91 1.57 3.57 -0.74 -0.07 116.94 120.79 1sqv h PHE 128 Ca 0.08 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.70 1sqv h PHE 128 Cb 0.52 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.16 1sqv h PHE 128 CO 0.05 0.06 0.58 0.77 -2.23 0.00 0.00 178.31 177.54 1sqv h SER 129 N 0.09 0.77 0.06 0.41 0.02 -1.28 0.22 113.55 113.84 1sqv h SER 129 Ca 0.03 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1sqv h SER 129 Cb -0.01 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1sqv h SER 129 CO -0.01 0.43 -0.03 0.25 -1.14 0.00 0.00 176.83 176.33 1sqv h LEU 130 N 0.84 -0.07 0.61 5.07 5.85 0.21 0.12 115.31 127.94 1sqv h LEU 130 Ca 0.44 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1sqv h LEU 130 Cb 0.53 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.58 1sqv h LEU 130 CO -0.20 0.28 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.81 1sqv h LEU 131 N -0.43 -0.69 -0.25 2.25 4.07 -0.96 -3.32 115.31 115.97 1sqv h LEU 131 Ca -0.01 -0.03 -0.19 0.00 0.08 0.00 0.00 57.88 57.73 1sqv h LEU 131 Cb 0.38 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1sqv h LEU 131 CO 0.01 -0.36 -0.59 0.74 -1.08 0.00 0.00 178.44 177.16 1sqv h THR 132 N -1.04 1.28 -0.64 0.22 2.02 -0.67 -3.28 112.91 110.80 1sqv h THR 132 Ca -0.08 -1.78 -0.34 0.00 0.77 0.00 0.00 66.41 64.97 1sqv h THR 132 Cb 0.68 1.73 -0.20 0.00 -1.74 0.00 0.00 68.15 68.62 1sqv h THR 132 CO 0.14 0.58 0.44 0.61 0.37 0.00 0.00 175.52 177.65 1sqv n GLY 133 N 0.46 3.70 3.74 2.16 0.00 0.43 -4.93 105.19 110.74 1sqv n GLY 133 Ca -0.05 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1sqv n GLY 133 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sqv n TYR 134 N -0.52 2.83 -4.13 1.61 4.01 -1.24 -4.58 117.16 115.15 1sqv n TYR 134 Ca 0.39 0.21 -0.08 0.00 -0.16 0.00 0.00 57.90 58.26 1sqv n TYR 134 Cb 1.20 -2.61 -0.03 0.00 -0.31 0.00 0.00 39.34 37.59 1sqv n TYR 134 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sqv s GLU 136 N -2.57 3.06 0.29 0.00 8.01 -1.26 -4.68 118.70 121.56 1sqv s GLU 136 Ca 0.15 -0.87 -0.29 0.00 0.01 0.00 0.00 54.97 53.97 1sqv s GLU 136 Cb 0.01 -2.34 -0.13 0.00 -4.31 0.00 0.00 34.13 27.36 1sqv s GLU 136 CO 0.11 0.15 1.30 -2.30 0.01 0.00 0.00 175.26 174.53 1sqv n PRO 137 N 3.62 1.99 -0.00 0.39 -0.02 -1.26 -4.94 135.00 134.77 1sqv n PRO 137 Ca -0.19 0.70 -0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1sqv n PRO 137 Cb 0.53 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1sqv n PRO 137 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1sqv h PRO 138 N 3.14 -0.01 0.00 0.52 0.14 -1.98 -3.49 132.00 130.32 1sqv h PRO 138 Ca -0.45 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.69 1sqv h PRO 138 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.43 1sqv h PRO 138 CO 0.67 -0.00 0.00 0.25 0.14 0.00 0.00 178.00 179.06 1sqv n THR 139 N -2.35 0.00 0.00 1.56 -2.24 -1.26 -5.10 114.28 104.89 1sqv n THR 139 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1sqv n THR 139 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1sqv n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqv n GLY 140 N 0.00 1.46 3.20 3.38 0.00 -1.26 -4.80 105.19 107.17 1sqv n GLY 140 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1sqv n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sqv s VAL 141 N 0.00 0.87 0.23 1.61 -7.23 -1.26 -5.18 120.40 109.44 1sqv s VAL 141 Ca 0.00 -1.98 0.10 0.00 -1.81 0.00 0.00 61.98 58.29 1sqv s VAL 141 Cb 0.00 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 1sqv s VAL 141 CO 0.00 -0.81 -0.11 -0.55 -0.31 0.00 0.00 175.10 173.33 1sqv s SER 142 N -3.10 4.09 0.00 4.85 0.15 -1.26 -4.91 113.70 113.52 1sqv s SER 142 Ca 0.14 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1sqv s SER 142 Cb 0.04 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1sqv s SER 142 CO -0.02 0.06 0.00 0.18 1.20 0.00 0.00 173.24 174.66 1sqv n LEU 143 N -0.36 0.00 -0.00 3.45 4.77 -1.26 -5.04 117.00 118.55 1sqv n LEU 143 Ca -0.08 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1sqv n LEU 143 Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1sqv n LEU 143 CO 0.37 0.00 -0.52 0.54 -1.33 0.00 0.00 177.39 176.44 1sqv n ARG 144 N 0.00 0.56 -2.53 3.23 3.00 -1.26 -4.98 116.66 114.67 1sqv n ARG 144 Ca 0.00 -0.05 -0.08 0.00 -0.01 0.00 0.00 57.85 57.72 1sqv n ARG 144 Cb 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 32.46 31.36 1sqv n ARG 144 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1sqv n GLU 145 N -1.65 -2.61 -0.10 5.56 0.00 -1.26 -4.87 120.64 115.71 1sqv n GLU 145 Ca -0.01 0.31 -0.24 0.00 0.00 0.00 0.00 57.16 57.22 1sqv n GLU 145 Cb 0.14 -4.87 -0.12 0.00 0.00 0.00 0.00 31.44 26.59 1sqv n GLU 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sqv n GLY 146 N -0.68 -0.60 3.70 8.31 0.00 -1.26 -4.87 105.19 109.79 1sqv n GLY 146 Ca -0.07 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1sqv n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqv s LEU 147 N -7.43 4.33 0.65 0.99 1.43 -1.26 -4.70 118.68 112.69 1sqv s LEU 147 Ca -0.32 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 54.57 1sqv s LEU 147 Cb 0.09 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.81 1sqv s LEU 147 CO 0.59 -0.45 0.92 -0.31 0.23 0.00 0.00 176.35 177.33 1sqv s TYR 148 N 1.49 2.58 0.02 0.29 1.51 -1.26 -4.23 117.35 117.75 1sqv s TYR 148 Ca 0.55 0.09 -0.17 0.00 -1.01 0.00 0.00 57.07 56.53 1sqv s TYR 148 Cb -0.25 -3.00 -0.06 0.00 -0.11 0.00 0.00 41.96 38.55 1sqv s TYR 148 CO 0.25 -1.28 0.49 0.12 -1.11 0.00 0.00 175.55 174.02 1sqv s PHE 149 N -3.04 3.75 -0.03 2.71 5.36 -1.26 -4.02 117.98 121.46 1sqv s PHE 149 Ca 0.61 1.12 0.01 0.00 -0.96 0.00 0.00 56.93 57.70 1sqv s PHE 149 Cb -0.09 -2.40 0.02 0.00 -0.34 0.00 0.00 43.02 40.21 1sqv s PHE 149 CO 0.42 0.58 -0.01 -0.80 -1.46 0.00 0.00 175.22 173.96 1sqv s ASN 150 N -0.96 0.42 -0.01 6.13 0.01 0.92 -4.42 114.94 117.02 1sqv s ASN 150 Ca 0.26 -0.04 -0.23 0.00 -0.71 0.00 0.00 52.86 52.15 1sqv s ASN 150 Cb -0.18 -0.20 -0.20 0.00 0.41 0.00 0.00 41.25 41.08 1sqv s ASN 150 CO 0.16 -0.08 1.15 -0.65 -1.51 0.00 0.00 177.10 176.17 1sqv h PRO 151 N 7.05 0.26 -3.78 -0.60 0.11 -1.81 -3.37 132.00 129.86 1sqv h PRO 151 Ca -0.40 -0.21 -0.73 0.00 0.11 0.00 0.00 66.00 64.76 1sqv h PRO 151 Cb 1.14 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 1sqv h PRO 151 CO 0.48 0.87 2.64 0.66 -0.21 0.00 0.00 178.00 182.44 1sqv n TYR 152 N -4.50 3.27 -3.62 0.65 4.01 -1.26 -4.60 117.16 111.10 1sqv n TYR 152 Ca -0.09 -2.89 -0.16 0.00 -0.16 0.00 0.00 57.90 54.60 1sqv n TYR 152 Cb 0.47 -2.28 -0.07 0.00 -0.31 0.00 0.00 39.34 37.15 1sqv n TYR 152 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1sqv s PHE 153 N 1.92 -0.50 0.09 -0.72 2.19 -1.26 -4.72 117.98 114.99 1sqv s PHE 153 Ca 0.44 0.90 -0.35 0.00 0.33 0.00 0.00 56.93 58.25 1sqv s PHE 153 Cb 0.12 0.28 -0.14 0.00 -1.31 0.00 0.00 43.02 41.97 1sqv s PHE 153 CO -0.05 -0.50 1.58 -2.30 1.83 0.00 0.00 175.22 175.78 1sqv n PRO 154 N 1.27 1.90 -0.73 10.12 -0.02 -1.26 -3.47 135.00 142.81 1sqv n PRO 154 Ca -0.19 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1sqv n PRO 154 Cb 0.57 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1sqv n PRO 154 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqv n GLY 155 N 3.40 1.01 4.58 -1.23 0.00 -1.26 -4.23 105.19 107.46 1sqv n GLY 155 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1sqv n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sqv n GLN 156 N -2.00 0.00 -3.93 1.61 3.00 -1.23 -1.40 117.38 113.43 1sqv n GLN 156 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1sqv n GLN 156 Cb 0.00 -1.23 -0.15 0.00 0.00 0.00 0.00 30.24 28.86 1sqv n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sqv s ALA 157 N -0.02 2.35 0.22 -1.58 0.00 -1.26 -0.06 121.76 121.40 1sqv s ALA 157 Ca 0.00 -2.08 -0.10 0.00 0.00 0.00 0.00 51.96 49.78 1sqv s ALA 157 Cb 0.00 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 1sqv s ALA 157 CO 0.00 -1.59 0.38 0.96 0.00 0.00 0.00 175.76 175.51 1sqv s ILE 158 N 1.19 0.02 -0.74 0.00 -4.36 -1.26 -5.04 121.20 111.02 1sqv s ILE 158 Ca 0.07 -1.44 -0.09 0.00 -0.26 0.00 0.00 60.65 58.94 1sqv s ILE 158 Cb -0.19 -2.11 0.19 0.00 1.25 0.00 0.00 42.46 41.61 1sqv s ILE 158 CO -0.13 -0.09 0.62 -0.83 0.24 0.00 0.00 174.94 174.75 1sqv s GLY 159 N -3.01 2.61 -0.02 6.27 0.00 -1.26 -4.27 107.32 107.63 1sqv s GLY 159 Ca 0.22 -3.32 0.05 0.00 0.00 0.00 0.00 44.72 41.68 1sqv s GLY 159 CO 0.06 1.18 -0.18 -0.29 0.00 0.00 0.00 173.10 173.88 1sqv s MET 160 N 0.00 1.57 0.69 2.90 0.00 -1.26 -4.84 119.30 118.36 1sqv s MET 160 Ca 0.18 -0.65 -0.16 0.00 0.00 0.00 0.00 55.69 55.06 1sqv s MET 160 Cb -0.15 -1.48 0.01 0.00 0.00 0.00 0.00 34.83 33.22 1sqv s MET 160 CO -0.06 0.36 1.19 0.00 0.00 0.00 0.00 175.02 176.51 1sqv s ALA 161 N -0.31 2.28 -0.59 4.11 0.00 -1.26 -4.69 121.76 121.30 1sqv s ALA 161 Ca 0.04 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 1sqv s ALA 161 Cb -0.08 -3.44 0.30 0.00 0.00 0.00 0.00 23.12 19.89 1sqv s ALA 161 CO 0.00 -1.61 2.18 -0.35 0.00 0.00 0.00 175.76 175.98 1sqv n PRO 162 N -2.41 2.44 -1.33 0.00 -0.05 -1.26 -4.96 135.00 127.44 1sqv n PRO 162 Ca 0.13 -2.75 -0.26 0.00 -0.05 0.00 0.00 63.50 60.57 1sqv n PRO 162 Cb 0.50 -2.10 -0.09 0.00 -0.05 0.00 0.00 33.50 31.77 1sqv n PRO 162 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 175.50 175.10 1sqv n PRO 163 N -0.18 2.90 0.00 0.54 -0.05 -1.26 -4.44 135.00 132.51 1sqv n PRO 163 Ca 0.50 -1.95 0.00 0.00 -0.05 0.00 0.00 63.50 62.00 1sqv n PRO 163 Cb 0.52 -2.33 0.00 0.00 -0.05 0.00 0.00 33.50 31.65 1sqv n PRO 163 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1sqv n ILE 164 N 2.32 0.00 0.72 0.52 2.08 -1.26 -4.23 119.36 119.51 1sqv n ILE 164 Ca 0.56 -0.50 0.07 0.00 0.56 0.00 0.00 62.75 63.45 1sqv n ILE 164 Cb 0.57 1.01 -0.09 0.00 -0.75 0.00 0.00 39.64 40.38 1sqv n ILE 164 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1sqv n TYR 165 N -0.22 0.00 -1.80 1.39 4.01 -1.26 -4.00 117.16 115.28 1sqv n TYR 165 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 1sqv n TYR 165 Cb 0.01 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.01 1sqv n TYR 165 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1sqv s ASN 166 N -2.48 6.03 0.04 7.72 0.01 -1.26 -5.01 114.94 119.99 1sqv s ASN 166 Ca 0.06 1.99 0.03 0.00 -0.71 0.00 0.00 52.86 54.23 1sqv s ASN 166 Cb 0.12 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.23 1sqv s ASN 166 CO 0.63 -1.49 -0.10 -1.83 -1.51 0.00 0.00 177.10 172.80 1sqv s GLU 167 N 5.30 0.69 0.00 -0.60 -1.05 -1.26 -5.04 118.70 116.74 1sqv s GLU 167 Ca 0.87 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.98 1sqv s GLU 167 Cb -0.33 -0.60 0.00 0.00 -0.44 0.00 0.00 34.13 32.76 1sqv s GLU 167 CO 0.35 0.14 0.00 0.28 0.95 0.00 0.00 175.26 176.98 1sqv n VAL 168 N 1.76 0.00 -2.74 1.83 0.31 -1.26 -5.14 118.33 113.09 1sqv n VAL 168 Ca -0.20 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.05 1sqv n VAL 168 Cb 0.55 -0.26 0.05 0.00 -0.91 0.00 0.00 33.84 33.27 1sqv n VAL 168 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1sqv n LEU 169 N 0.00 -2.77 -2.83 7.52 7.94 -1.26 -4.90 117.00 120.70 1sqv n LEU 169 Ca 0.00 -3.24 -0.20 0.00 -1.11 0.00 0.00 56.01 51.45 1sqv n LEU 169 Cb 0.00 0.83 -0.01 0.00 0.53 0.00 0.00 43.42 44.77 1sqv n LEU 169 CO 0.00 1.98 -0.01 -0.62 -1.11 0.00 0.00 177.39 177.63 1sqv n GLU 170 N 1.55 2.18 -3.04 1.96 -0.58 -1.26 -5.05 120.64 116.39 1sqv n GLU 170 Ca 0.08 -4.00 -0.45 0.00 -0.42 0.00 0.00 57.16 52.37 1sqv n GLU 170 Cb 0.64 -1.86 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 1sqv n GLU 170 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1sqv s PHE 171 N -3.13 3.15 0.18 -0.32 0.08 -1.26 -4.92 117.98 111.76 1sqv s PHE 171 Ca 0.41 -1.27 -0.13 0.00 0.12 0.00 0.00 56.93 56.05 1sqv s PHE 171 Cb 0.37 -4.12 0.14 0.00 -0.57 0.00 0.00 43.02 38.83 1sqv s PHE 171 CO -0.09 -1.36 1.77 0.22 -0.10 0.00 0.00 175.22 175.66 1sqv h ASP 172 N 8.84 0.29 -3.58 1.36 1.82 -1.98 -2.51 116.42 120.65 1sqv h ASP 172 Ca -0.04 0.04 -0.58 0.00 -0.39 0.00 0.00 57.03 56.06 1sqv h ASP 172 Cb 1.05 -0.01 -0.08 0.00 0.68 0.00 0.00 39.33 40.97 1sqv h ASP 172 CO 1.05 0.21 0.76 -0.62 -1.61 0.00 0.00 179.24 179.03 1sqv s ASP 173 N -5.45 6.67 -0.63 2.28 -1.08 -1.26 -5.03 116.67 112.17 1sqv s ASP 173 Ca -0.13 0.52 -0.26 0.00 -0.52 0.00 0.00 52.55 52.16 1sqv s ASP 173 Cb 0.14 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 39.05 1sqv s ASP 173 CO 0.73 -1.05 1.98 -0.83 0.52 0.00 0.00 175.17 176.51 1sqv s GLY 174 N 2.15 0.06 -0.03 2.66 0.00 -0.95 -4.98 107.32 106.24 1sqv s GLY 174 Ca 0.43 -0.64 0.02 0.00 0.00 0.00 0.00 44.72 44.53 1sqv s GLY 174 CO 0.25 3.57 -0.05 -0.51 0.00 0.00 0.00 173.10 176.36 1sqv s THR 175 N 9.87 3.81 0.41 0.90 -4.23 -1.26 -5.09 115.64 120.04 1sqv s THR 175 Ca 0.73 -0.61 -0.24 0.00 -1.18 0.00 0.00 61.69 60.40 1sqv s THR 175 Cb -0.13 -2.63 -0.12 0.00 1.34 0.00 0.00 72.50 70.97 1sqv s THR 175 CO 0.19 0.47 0.81 -0.81 -0.54 0.00 0.00 174.62 174.75 1sqv n PRO 176 N 1.79 0.98 -1.93 3.99 -0.04 -1.26 -4.88 135.00 133.64 1sqv n PRO 176 Ca -0.16 0.35 -0.32 0.00 -0.04 0.00 0.00 63.50 63.33 1sqv n PRO 176 Cb 0.53 -1.79 0.04 0.00 -0.04 0.00 0.00 33.50 32.24 1sqv n PRO 176 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sqv n ALA 177 N -0.61 5.79 -1.54 0.55 0.00 -1.26 -4.85 120.51 118.60 1sqv n ALA 177 Ca 0.11 -3.94 -0.32 0.00 0.00 0.00 0.00 53.44 49.29 1sqv n ALA 177 Cb 0.38 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.66 1sqv n ALA 177 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1sqv s THR 178 N -5.03 3.76 0.26 0.00 -1.32 -1.26 -4.76 115.64 107.30 1sqv s THR 178 Ca 0.54 0.68 -0.04 0.00 -1.21 0.00 0.00 61.69 61.65 1sqv s THR 178 Cb 0.44 -3.28 0.29 0.00 -1.51 0.00 0.00 72.50 68.44 1sqv s THR 178 CO -0.16 -0.65 1.64 0.24 -2.21 0.00 0.00 174.62 173.48 1sqv h MET 179 N -0.35 0.13 0.04 7.08 2.86 -1.96 0.18 114.93 122.92 1sqv h MET 179 Ca -0.45 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1sqv h MET 179 Cb 1.22 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1sqv h MET 179 CO 0.56 0.08 -0.02 1.03 1.06 0.00 0.00 176.91 179.62 1sqv h SER 180 N 0.13 -0.05 -0.40 1.22 0.87 -1.93 -1.59 113.55 111.81 1sqv h SER 180 Ca 0.46 -0.42 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1sqv h SER 180 Cb 0.85 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 1sqv h SER 180 CO -0.68 0.41 0.26 -0.61 -0.53 0.00 0.00 176.83 175.69 1sqv h GLN 181 N -0.52 0.45 0.38 2.24 5.75 -1.78 0.93 115.11 122.56 1sqv h GLN 181 Ca -0.01 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1sqv h GLN 181 Cb 0.47 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.92 1sqv h GLN 181 CO 0.01 0.30 -0.18 0.28 -2.65 0.00 0.00 178.83 176.58 1sqv h VAL 182 N 0.46 0.61 -0.26 2.39 2.07 -0.52 -2.65 116.25 118.36 1sqv h VAL 182 Ca 0.16 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1sqv h VAL 182 Cb 0.06 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1sqv h VAL 182 CO -0.04 0.07 0.08 0.00 0.02 0.00 0.00 177.57 177.70 1sqv h ALA 183 N -0.22 0.34 -1.01 1.67 0.00 -0.94 -2.39 119.26 116.72 1sqv h ALA 183 Ca -0.05 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.88 1sqv h ALA 183 Cb 0.51 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1sqv h ALA 183 CO 0.09 -0.03 0.62 -0.22 0.00 0.00 0.00 179.25 179.71 1sqv h LYS 184 N 0.26 0.82 0.17 0.00 3.64 -0.93 -1.17 116.57 119.35 1sqv h LYS 184 Ca 0.08 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 59.09 1sqv h LYS 184 Cb 0.24 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1sqv h LYS 184 CO -0.00 0.54 -1.54 -0.44 -2.27 0.00 0.00 179.45 175.74 1sqv h ASP 185 N 0.84 0.55 0.07 4.20 3.32 -1.25 -2.70 116.42 121.46 1sqv h ASP 185 Ca 0.55 -0.70 -0.13 0.00 0.02 0.00 0.00 57.03 56.77 1sqv h ASP 185 Cb 0.76 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1sqv h ASP 185 CO -0.34 1.58 -0.45 1.62 -1.72 0.00 0.00 179.24 179.93 1sqv h VAL 186 N 0.10 1.31 -0.34 -1.35 3.04 -1.26 -0.72 116.25 117.03 1sqv h VAL 186 Ca -0.26 -1.63 -0.03 0.00 -1.01 0.00 0.00 66.70 63.77 1sqv h VAL 186 Cb 2.06 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 32.99 1sqv h VAL 186 CO 0.20 0.50 0.10 0.00 -1.01 0.00 0.00 177.57 177.36 1sqv h THR 188 N 0.40 1.07 0.01 0.00 2.02 -1.30 0.31 112.91 115.41 1sqv h THR 188 Ca 0.11 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1sqv h THR 188 Cb 0.26 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1sqv h THR 188 CO -0.00 0.08 -0.00 0.15 0.37 0.00 0.00 175.52 176.11 1sqv h PHE 189 N 0.23 -0.01 0.00 3.16 3.57 -0.85 -3.24 116.94 119.80 1sqv h PHE 189 Ca 0.06 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1sqv h PHE 189 Cb 0.04 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1sqv h PHE 189 CO 0.00 0.59 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.51 1sqv h LEU 190 N -0.62 0.00 0.66 0.59 3.38 0.74 0.16 115.31 120.22 1sqv h LEU 190 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1sqv h LEU 190 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1sqv h LEU 190 CO 0.00 0.09 -0.45 -0.09 0.09 0.00 0.00 178.44 178.08 1sqv h ARG 191 N 0.00 -1.02 -0.91 1.13 9.65 -1.10 -1.42 114.38 120.71 1sqv h ARG 191 Ca -0.00 0.07 0.17 0.00 -1.10 0.00 0.00 59.98 59.12 1sqv h ARG 191 Cb 0.25 0.23 -0.10 0.00 -1.39 0.00 0.00 29.97 28.96 1sqv h ARG 191 CO 0.01 -0.68 0.49 2.35 2.80 0.00 0.00 179.97 184.95 1sqv h TRP 192 N -1.05 0.86 -0.40 2.20 7.01 -1.36 -1.24 115.95 121.96 1sqv h TRP 192 Ca -0.09 0.04 0.04 0.00 2.11 0.00 0.00 58.89 60.99 1sqv h TRP 192 Cb 0.86 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.63 1sqv h TRP 192 CO -0.12 0.17 0.16 0.00 -2.79 0.00 0.00 178.44 175.86 1sqv h ALA 193 N 1.61 0.48 0.00 2.65 0.00 -0.66 -1.96 119.26 121.38 1sqv h ALA 193 Ca 0.52 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.39 1sqv h ALA 193 Cb 0.79 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1sqv h ALA 193 CO -0.39 -0.23 -0.37 0.00 0.00 0.00 0.00 179.25 178.26 1sqv h ALA 194 N 1.25 1.03 -0.80 0.00 0.00 -0.71 -3.41 119.26 116.62 1sqv h ALA 194 Ca 0.18 -0.33 -0.21 0.00 0.00 0.00 0.00 54.91 54.55 1sqv h ALA 194 Cb 0.15 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 17.71 1sqv h ALA 194 CO -0.17 0.46 -0.54 -1.91 0.00 0.00 0.00 179.25 177.08 1sqv n GLU 195 N -3.58 0.60 0.16 0.00 2.13 -0.52 -4.96 120.64 114.47 1sqv n GLU 195 Ca -0.00 -2.05 0.00 0.00 0.66 0.00 0.00 57.16 55.77 1sqv n GLU 195 Cb 0.49 -1.47 0.26 0.00 0.27 0.00 0.00 31.44 30.98 1sqv n GLU 195 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1sqv h PRO 196 N 4.69 0.00 -0.18 5.31 0.11 -1.60 -2.87 132.00 137.46 1sqv h PRO 196 Ca 0.01 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.17 1sqv h PRO 196 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1sqv h PRO 196 CO 0.15 0.51 0.32 1.05 -0.21 0.00 0.00 178.00 179.81 1sqv h GLU 197 N 0.00 0.00 -0.04 1.05 9.09 -1.95 -3.38 114.58 119.35 1sqv h GLU 197 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1sqv h GLU 197 Cb 0.90 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.00 1sqv h GLU 197 CO 0.07 0.00 -0.02 1.58 0.05 0.00 0.00 179.01 180.68 1sqv n HIS 198 N -3.39 -0.02 0.08 2.06 -0.00 -1.08 -0.35 115.22 112.52 1sqv n HIS 198 Ca 0.02 0.05 -0.09 0.00 0.46 0.00 0.00 57.72 58.16 1sqv n HIS 198 Cb 0.43 -0.26 -0.07 0.00 -0.12 0.00 0.00 29.99 29.97 1sqv n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1sqv h ASP 199 N 0.00 0.15 -0.11 0.26 3.32 -1.88 -2.13 116.42 116.03 1sqv h ASP 199 Ca 0.01 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1sqv h ASP 199 Cb 0.02 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1sqv h ASP 199 CO -0.04 1.04 0.06 -0.74 -1.72 0.00 0.00 179.24 177.83 1sqv h HIS 200 N 0.04 0.11 -0.72 4.55 2.76 -1.34 -2.00 115.15 118.56 1sqv h HIS 200 Ca -0.04 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 1sqv h HIS 200 Cb 1.67 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 30.57 1sqv h HIS 200 CO 0.02 0.06 0.29 0.07 -1.30 0.00 0.00 177.93 177.08 1sqv h ARG 201 N 0.12 1.05 -0.01 5.26 0.11 -0.59 -0.91 114.38 119.41 1sqv h ARG 201 Ca 0.04 -0.18 -0.08 0.00 0.10 0.00 0.00 59.98 59.86 1sqv h ARG 201 Cb 0.00 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 30.89 1sqv h ARG 201 CO -0.03 0.85 -0.38 0.87 0.10 0.00 0.00 179.97 181.38 1sqv h LYS 202 N 1.03 0.03 -0.13 0.08 1.57 -1.44 -0.37 116.57 117.34 1sqv h LYS 202 Ca 0.24 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1sqv h LYS 202 Cb 0.19 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1sqv h LYS 202 CO -0.02 0.41 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.15 1sqv h ARG 203 N 0.03 0.25 -0.70 3.15 2.43 -0.58 -2.05 114.38 116.90 1sqv h ARG 203 Ca -0.00 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1sqv h ARG 203 Cb 0.69 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1sqv h ARG 203 CO 0.05 0.54 0.30 0.52 -1.51 0.00 0.00 179.97 179.86 1sqv h MET 204 N -0.06 1.02 -0.48 0.20 0.00 -1.12 -2.92 114.93 111.56 1sqv h MET 204 Ca 0.03 -0.16 0.07 0.00 0.00 0.00 0.00 59.70 59.64 1sqv h MET 204 Cb 0.44 -0.18 -0.06 0.00 0.00 0.00 0.00 31.60 31.81 1sqv h MET 204 CO 0.01 0.82 0.15 0.78 0.00 0.00 0.00 176.91 178.67 1sqv h GLY 205 N 1.07 0.63 0.58 8.32 0.00 -0.92 0.16 103.07 112.91 1sqv h GLY 205 Ca 0.24 -0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.57 1sqv h GLY 205 CO -0.02 -0.01 0.49 -2.00 0.00 0.00 0.00 176.54 175.00 1sqv h LEU 206 N 0.32 0.72 0.40 3.11 5.85 -1.19 0.34 115.31 124.86 1sqv h LEU 206 Ca 0.23 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1sqv h LEU 206 Cb 0.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1sqv h LEU 206 CO -0.26 0.43 -0.19 0.11 -0.34 0.00 0.00 178.44 178.19 1sqv h LYS 207 N 0.84 -0.52 -0.97 1.25 1.57 -1.30 0.47 116.57 117.92 1sqv h LYS 207 Ca 0.39 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.43 1sqv h LYS 207 Cb 0.31 0.12 -0.18 0.00 0.08 0.00 0.00 32.23 32.55 1sqv h LYS 207 CO -0.22 -0.21 -0.11 1.98 -0.57 0.00 0.00 179.45 180.31 1sqv h MET 208 N -0.85 0.01 -0.49 3.15 4.05 -0.48 1.18 114.93 121.51 1sqv h MET 208 Ca -0.05 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 1sqv h MET 208 Cb 0.54 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1sqv h MET 208 CO 0.09 0.01 -0.01 -0.07 0.23 0.00 0.00 176.91 177.16 1sqv h LEU 209 N 0.01 0.86 -0.38 3.39 3.38 -0.16 -1.02 115.31 121.38 1sqv h LEU 209 Ca 0.52 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1sqv h LEU 209 Cb 0.93 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1sqv h LEU 209 CO -0.95 0.96 -0.39 -0.07 0.09 0.00 0.00 178.44 178.08 1sqv h LEU 210 N 0.73 0.00 0.01 1.67 3.38 0.15 -2.48 115.31 118.77 1sqv h LEU 210 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sqv h LEU 210 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1sqv h LEU 210 CO 0.03 0.39 -0.00 0.24 0.09 0.00 0.00 178.44 179.18 1sqv h MET 211 N 0.00 -0.01 -1.10 1.13 2.86 0.14 -2.99 114.93 114.96 1sqv h MET 211 Ca -0.00 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.97 1sqv h MET 211 Cb 1.15 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.68 1sqv h MET 211 CO 0.05 0.35 0.67 0.52 1.06 0.00 0.00 176.91 179.56 1sqv h MET 212 N -1.00 0.27 0.00 1.72 2.86 -1.32 0.13 114.93 117.59 1sqv h MET 212 Ca -0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1sqv h MET 212 Cb 0.36 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1sqv h MET 212 CO 0.00 0.18 -0.05 0.78 1.06 0.00 0.00 176.91 178.88 1sqv h GLY 213 N 0.28 0.00 0.33 8.32 0.00 -1.45 0.15 103.07 110.70 1sqv h GLY 213 Ca 0.72 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.73 1sqv h GLY 213 CO -0.47 0.00 -1.77 -0.10 0.00 0.00 0.00 176.54 174.20 1sqv n LEU 214 N -3.25 2.34 -0.02 3.11 7.94 0.14 -4.58 117.00 122.68 1sqv n LEU 214 Ca -0.01 0.28 -0.16 0.00 -1.11 0.00 0.00 56.01 55.01 1sqv n LEU 214 Cb 0.24 -1.04 -0.11 0.00 0.53 0.00 0.00 43.42 43.04 1sqv n LEU 214 CO 0.27 0.63 0.36 -0.07 -1.11 0.00 0.00 177.39 177.47 1sqv h LEU 215 N -0.38 0.32 -0.62 -1.96 3.38 -0.18 -2.93 115.31 112.94 1sqv h LEU 215 Ca -0.42 -0.76 0.10 0.00 0.09 0.00 0.00 57.88 56.89 1sqv h LEU 215 Cb 1.74 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.32 1sqv h LEU 215 CO -0.05 1.04 0.23 -0.07 0.09 0.00 0.00 178.44 179.68 1sqv h LEU 216 N -0.37 0.23 -1.00 1.67 3.38 -0.97 0.71 115.31 118.95 1sqv h LEU 216 Ca -0.04 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1sqv h LEU 216 Cb 1.09 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1sqv h LEU 216 CO 0.07 0.13 -0.15 -0.65 0.09 0.00 0.00 178.44 177.93 1sqv h PRO 217 N 0.41 0.54 -0.07 1.13 0.11 -1.77 -1.50 132.00 130.86 1sqv h PRO 217 Ca 0.32 -0.17 -0.22 0.00 0.11 0.00 0.00 66.00 66.03 1sqv h PRO 217 Cb 0.40 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.47 1sqv h PRO 217 CO -0.31 0.68 -0.83 -0.07 -0.21 0.00 0.00 178.00 177.26 1sqv h LEU 218 N 0.50 0.84 -0.58 2.35 3.38 -1.14 0.24 115.31 120.89 1sqv h LEU 218 Ca 0.09 -0.69 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 1sqv h LEU 218 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1sqv h LEU 218 CO 0.04 1.41 0.12 0.58 0.09 0.00 0.00 178.44 180.68 1sqv h VAL 219 N 0.35 1.25 -0.36 1.22 2.07 0.36 -0.93 116.25 120.21 1sqv h VAL 219 Ca -0.08 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.56 1sqv h VAL 219 Cb 1.48 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 1sqv h VAL 219 CO 0.17 0.34 0.06 0.22 0.02 0.00 0.00 177.57 178.38 1sqv h TYR 220 N 0.85 0.10 0.00 1.57 3.20 -1.14 -1.33 116.97 120.21 1sqv h TYR 220 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1sqv h TYR 220 Cb 0.37 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1sqv h TYR 220 CO 0.03 0.01 -0.12 0.00 -1.64 0.00 0.00 178.16 176.43 1sqv h ALA 221 N 1.28 1.55 -0.08 1.82 0.00 -0.21 0.38 119.26 124.00 1sqv h ALA 221 Ca 0.17 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1sqv h ALA 221 Cb 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sqv h ALA 221 CO -0.23 0.15 -0.46 0.52 0.00 0.00 0.00 179.25 179.23 1sqv h MET 222 N 0.00 0.45 -0.15 0.00 2.86 -0.34 -2.75 114.93 114.99 1sqv h MET 222 Ca -0.00 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1sqv h MET 222 Cb 0.25 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1sqv h MET 222 CO 0.02 1.02 0.04 -0.22 1.06 0.00 0.00 176.91 178.83 1sqv h LYS 223 N -0.00 0.23 -1.00 1.72 1.63 -0.94 -3.08 116.57 115.13 1sqv h LYS 223 Ca -0.04 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1sqv h LYS 223 Cb 1.11 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.66 1sqv h LYS 223 CO 0.09 0.36 0.66 -0.09 -3.45 0.00 0.00 179.45 177.02 1sqv h ARG 224 N 0.06 1.32 0.01 1.90 9.65 -0.99 -0.28 114.38 126.05 1sqv h ARG 224 Ca 0.05 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1sqv h ARG 224 Cb 0.23 -0.30 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 1sqv h ARG 224 CO -0.00 0.88 -0.17 1.25 2.80 0.00 0.00 179.97 184.73 1sqv h HIS 225 N 1.36 -0.49 -0.42 2.20 2.76 -1.58 -1.59 115.15 117.39 1sqv h HIS 225 Ca 0.37 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.57 1sqv h HIS 225 Cb -0.15 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1sqv h HIS 225 CO 0.00 -0.18 0.28 0.87 -1.30 0.00 0.00 177.93 177.59 1sqv h LYS 226 N -0.22 0.51 0.00 5.26 1.57 -1.34 0.12 116.57 122.46 1sqv h LYS 226 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1sqv h LYS 226 Cb 0.23 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1sqv h LYS 226 CO -0.11 0.33 0.00 0.91 -0.57 0.00 0.00 179.45 180.02 1sqv n TRP 227 N -4.48 0.00 -0.22 -1.35 7.02 -0.16 -4.07 117.44 114.19 1sqv n TRP 227 Ca 0.04 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.43 1sqv n TRP 227 Cb 0.09 -0.27 0.03 0.00 -2.42 0.00 0.00 31.31 28.74 1sqv n TRP 227 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1sqv h SER 228 N 0.00 0.99 -0.65 -0.99 4.64 0.08 0.53 113.55 118.15 1sqv h SER 228 Ca 0.00 -0.27 0.06 0.00 -0.47 0.00 0.00 61.79 61.11 1sqv h SER 228 Cb 0.26 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1sqv h SER 228 CO 0.00 1.02 -0.38 0.52 -0.87 0.00 0.00 176.83 177.11 1sqv n VAL 229 N -4.26 -0.44 0.10 0.95 0.31 -1.26 -1.97 118.33 111.76 1sqv n VAL 229 Ca 0.03 1.85 -0.03 0.00 -0.01 0.00 0.00 64.34 66.18 1sqv n VAL 229 Cb 0.30 -2.32 0.17 0.00 -0.91 0.00 0.00 33.84 31.08 1sqv n VAL 229 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1sqv h LEU 230 N 0.00 0.20 -0.68 7.52 3.38 -1.32 -2.96 115.31 121.45 1sqv h LEU 230 Ca 0.10 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1sqv h LEU 230 Cb 0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1sqv h LEU 230 CO -0.61 0.70 -0.37 0.11 0.09 0.00 0.00 178.44 178.36 1sqv h LYS 231 N 0.14 0.00 -0.20 1.13 1.79 0.28 -3.23 116.57 116.48 1sqv h LYS 231 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sqv h LYS 231 Cb 1.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1sqv h LYS 231 CO 0.08 0.37 0.00 -1.13 -1.08 0.00 0.00 179.45 177.69 1sqv n SER 232 N -3.39 2.61 -4.75 0.86 3.41 -0.83 -5.00 113.62 106.54 1sqv n SER 232 Ca 0.01 -1.77 -0.41 0.00 -0.26 0.00 0.00 58.87 56.43 1sqv n SER 232 Cb 0.56 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1sqv n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqv s ARG 233 N -1.11 4.17 -0.17 4.33 1.70 -1.12 -5.00 118.95 121.75 1sqv s ARG 233 Ca 0.22 2.49 -0.04 0.00 -0.47 0.00 0.00 55.73 57.94 1sqv s ARG 233 Cb 0.13 -3.05 -0.02 0.00 -0.57 0.00 0.00 34.95 31.44 1sqv s ARG 233 CO 0.19 -0.58 -0.04 0.15 -1.08 0.00 0.00 175.30 173.94 1sqv s LYS 234 N -0.32 3.59 0.04 3.89 -0.14 -1.26 -5.08 119.74 120.46 1sqv s LYS 234 Ca 0.63 -0.55 -0.14 0.00 -1.36 0.00 0.00 55.97 54.55 1sqv s LYS 234 Cb -0.46 -2.95 -0.06 0.00 -1.68 0.00 0.00 37.83 32.68 1sqv s LYS 234 CO 0.45 0.12 0.44 -0.51 -0.76 0.00 0.00 175.35 175.09 1sqv s LEU 235 N 0.69 4.44 -0.02 3.17 1.43 -1.26 -5.10 118.68 122.03 1sqv s LEU 235 Ca -0.02 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 1sqv s LEU 235 Cb -0.14 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.33 1sqv s LEU 235 CO 0.02 0.27 -0.03 0.00 0.23 0.00 0.00 176.35 176.84 1sqv s ALA 236 N -1.19 0.45 -0.18 4.21 0.00 -1.26 -5.14 121.76 118.65 1sqv s ALA 236 Ca 0.28 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.14 1sqv s ALA 236 Cb -0.16 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1sqv s ALA 236 CO 0.15 0.01 0.05 -0.47 0.00 0.00 0.00 175.76 175.50 1sqv s TYR 237 N 0.58 3.22 -0.43 0.00 5.04 -1.26 -5.06 117.35 119.45 1sqv s TYR 237 Ca -0.07 0.02 0.09 0.00 -2.44 0.00 0.00 57.07 54.68 1sqv s TYR 237 Cb -0.10 -2.06 0.31 0.00 0.35 0.00 0.00 41.96 40.46 1sqv s TYR 237 CO -0.01 0.13 0.70 0.54 -1.34 0.00 0.00 175.55 175.58 1sqv n ARG 238 N 3.51 1.33 -1.65 4.97 1.74 -1.26 -5.13 116.66 120.19 1sqv n ARG 238 Ca -0.17 -3.64 -0.31 0.00 -0.77 0.00 0.00 57.85 52.96 1sqv n ARG 238 Cb 0.52 -1.68 0.04 0.00 -1.02 0.00 0.00 32.46 30.32 1sqv n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sqv s PRO 239 N -2.21 3.11 0.77 5.56 0.04 -1.26 -5.05 135.00 135.96 1sqv s PRO 239 Ca 0.40 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 1sqv s PRO 239 Cb 0.27 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.85 1sqv s PRO 239 CO -0.09 -0.96 1.08 -2.14 0.04 0.00 0.00 177.00 174.93 1sqv s PRO 240 N -5.08 2.28 0.00 0.56 0.02 -1.26 -5.34 135.00 126.18 1sqv s PRO 240 Ca 0.57 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1sqv s PRO 240 Cb -0.13 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1sqv s PRO 240 CO 0.55 -1.58 0.00 1.17 -0.33 0.00 0.00 177.00 176.81