#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hem s LEU 13 N 0.00 4.23 -0.22 1.69 1.43 -1.26 -5.07 118.68 119.48 3hem s LEU 13 Ca 0.00 1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 54.24 3hem s LEU 13 Cb 0.00 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 3hem s LEU 13 CO 0.00 -0.03 -0.01 -0.54 0.23 0.00 0.00 176.35 176.00 3hem s LYS 14 N -2.41 3.52 0.27 1.70 1.02 -1.26 -4.88 119.74 117.70 3hem s LYS 14 Ca 0.45 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.59 3hem s LYS 14 Cb -0.13 -3.08 -0.10 0.00 -0.52 0.00 0.00 37.83 33.99 3hem s LYS 14 CO 0.20 -0.10 1.47 -2.14 -0.92 0.00 0.00 175.35 173.85 3hem s PRO 15 N 1.29 4.23 -0.36 -1.68 0.02 -1.26 -0.64 135.00 136.61 3hem s PRO 15 Ca 0.04 2.37 -0.06 0.00 0.02 0.00 0.00 61.00 63.36 3hem s PRO 15 Cb -0.15 -3.08 -0.06 0.00 0.02 0.00 0.00 34.50 31.23 3hem s PRO 15 CO 0.00 -0.45 1.49 -0.35 -0.33 0.00 0.00 177.00 177.35 3hem n PRO 16 N 2.11 0.80 0.49 5.54 -0.04 -1.26 -3.86 135.00 138.77 3hem n PRO 16 Ca 0.06 -0.95 -0.19 0.00 -0.04 0.00 0.00 63.50 62.38 3hem n PRO 16 Cb 0.40 -2.26 -0.09 0.00 -0.04 0.00 0.00 33.50 31.51 3hem n PRO 16 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hem h VAL 17 N 3.93 0.00 -0.66 0.52 2.07 -1.93 -2.43 116.25 117.76 3hem h VAL 17 Ca 0.22 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 3hem h VAL 17 Cb 0.16 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 3hem h VAL 17 CO 1.31 0.00 0.24 -0.33 0.02 0.00 0.00 177.57 178.81 3hem h GLU 18 N -1.34 0.97 -0.29 1.57 3.07 -1.96 0.48 114.58 117.09 3hem h GLU 18 Ca -0.13 -0.17 0.02 0.00 -0.50 0.00 0.00 59.36 58.59 3hem h GLU 18 Cb 0.96 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 3hem h GLU 18 CO 0.21 0.81 0.13 0.00 -1.40 0.00 0.00 179.01 178.76 3hem h ALA 19 N 1.32 0.34 -0.28 3.43 0.00 -1.91 -2.02 119.26 120.14 3hem h ALA 19 Ca 0.22 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hem h ALA 19 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hem h ALA 19 CO -0.02 -0.26 0.03 0.28 0.00 0.00 0.00 179.25 179.27 3hem h VAL 20 N 0.28 1.24 -0.23 0.00 2.07 -0.87 -3.12 116.25 115.63 3hem h VAL 20 Ca 0.12 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3hem h VAL 20 Cb 0.06 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3hem h VAL 20 CO -0.10 0.27 0.12 0.03 0.02 0.00 0.00 177.57 177.91 3hem h ARG 21 N 0.27 0.30 0.00 1.57 3.08 -0.79 -2.01 114.38 116.80 3hem h ARG 21 Ca 0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3hem h ARG 21 Cb 0.38 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3hem h ARG 21 CO 0.01 0.23 -0.09 0.66 -1.07 0.00 0.00 179.97 179.72 3hem h SER 22 N 0.31 0.00 0.00 7.04 4.64 -1.29 -2.17 113.55 122.08 3hem h SER 22 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3hem h SER 22 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3hem h SER 22 CO -0.01 0.09 -0.22 1.57 -0.87 0.00 0.00 176.83 177.38 3hem n HIS 23 N -4.17 0.15 0.30 4.77 -0.00 -0.81 -4.58 115.22 110.88 3hem n HIS 23 Ca -0.03 0.07 0.18 0.00 -0.00 0.00 0.00 57.72 57.94 3hem n HIS 23 Cb 0.17 -0.29 0.81 0.00 -0.00 0.00 0.00 29.99 30.67 3hem n HIS 23 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.34 178.22 3hem h TYR 24 N -0.30 0.00 -0.60 1.57 -1.99 -1.51 -2.06 116.97 112.08 3hem h TYR 24 Ca 0.00 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.55 3hem h TYR 24 Cb 0.22 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 38.85 3hem h TYR 24 CO -0.10 0.00 0.23 -0.25 -0.00 0.00 0.00 178.16 178.04 3hem n ASP 25 N -2.90 4.21 0.16 3.88 8.00 -0.81 -4.46 116.55 124.62 3hem n ASP 25 Ca -0.00 -2.96 0.01 0.00 0.71 0.00 0.00 54.79 52.54 3hem n ASP 25 Cb 0.21 -0.70 0.31 0.00 -0.02 0.00 0.00 41.12 40.92 3hem n ASP 25 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3hem h LYS 26 N 2.07 0.05 0.00 -1.24 1.63 -1.56 -3.47 116.57 114.05 3hem h LYS 26 Ca 0.22 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 3hem h LYS 26 Cb 2.02 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.65 3hem h LYS 26 CO 0.60 0.45 0.00 0.45 -3.45 0.00 0.00 179.45 177.50 3hem n SER 27 N -4.05 0.00 -0.30 4.20 2.88 -1.26 -4.91 113.62 110.18 3hem n SER 27 Ca -0.02 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.55 3hem n SER 27 Cb 0.44 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.12 3hem n SER 27 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3hem h ASN 28 N 0.00 0.94 -0.64 -3.46 2.35 -1.90 -1.27 115.58 111.60 3hem h ASN 28 Ca 0.00 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3hem h ASN 28 Cb 0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3hem h ASN 28 CO 0.00 0.63 0.06 -0.33 -1.65 0.00 0.00 177.43 176.15 3hem h GLU 29 N 1.09 1.09 0.16 0.81 5.08 -1.98 0.99 114.58 121.81 3hem h GLU 29 Ca 0.37 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3hem h GLU 29 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3hem h GLU 29 CO -0.12 1.02 -0.17 0.35 -1.00 0.00 0.00 179.01 179.10 3hem h PHE 30 N 1.00 -0.44 -0.56 4.33 3.57 -1.64 -2.52 116.94 120.68 3hem h PHE 30 Ca 0.19 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3hem h PHE 30 Cb 0.49 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 3hem h PHE 30 CO 0.04 -0.26 0.16 0.74 -2.23 0.00 0.00 178.31 176.76 3hem h PHE 31 N -0.36 0.87 -1.00 0.41 -1.00 -1.23 -2.65 116.94 111.98 3hem h PHE 31 Ca 0.01 -0.07 0.21 0.00 2.81 0.00 0.00 57.97 60.93 3hem h PHE 31 Cb 0.35 -0.26 -0.10 0.00 3.61 0.00 0.00 35.95 39.55 3hem h PHE 31 CO -0.15 0.72 0.62 0.87 -1.61 0.00 0.00 178.31 178.76 3hem h LYS 32 N 0.83 0.62 -0.95 1.51 1.57 -0.42 -1.26 116.57 118.47 3hem h LYS 32 Ca 0.19 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.04 3hem h LYS 32 Cb 0.27 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 3hem h LYS 32 CO -0.01 0.41 0.61 -0.07 -0.57 0.00 0.00 179.45 179.82 3hem h LEU 33 N 0.64 0.86 0.00 2.94 3.38 -1.08 -3.33 115.31 118.71 3hem h LEU 33 Ca 0.58 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3hem h LEU 33 Cb 1.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3hem h LEU 33 CO -0.36 0.48 -0.20 -2.67 0.09 0.00 0.00 178.44 175.78 3hem n TRP 34 N -4.57 0.00 -1.29 1.13 4.27 -0.83 -4.66 117.44 111.49 3hem n TRP 34 Ca 0.17 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.49 3hem n TRP 34 Cb 0.34 0.00 0.14 0.00 -1.36 0.00 0.00 31.31 30.43 3hem n TRP 34 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3hem s LEU 35 N -1.72 2.18 0.00 5.67 1.43 -0.54 -4.48 118.68 121.23 3hem s LEU 35 Ca 0.00 1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 3hem s LEU 35 Cb 0.00 -3.77 0.17 0.00 0.03 0.00 0.00 46.19 42.62 3hem s LEU 35 CO 0.00 -2.60 0.52 -0.90 0.23 0.00 0.00 176.35 173.61 3hem n ASP 36 N -3.84 -2.11 0.12 2.29 5.75 -1.26 -4.83 116.55 112.67 3hem n ASP 36 Ca 0.07 -0.71 -0.02 0.00 -0.01 0.00 0.00 54.79 54.12 3hem n ASP 36 Cb 0.56 -0.52 0.15 0.00 -1.03 0.00 0.00 41.12 40.29 3hem n ASP 36 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3hem h PRO 37 N 0.00 0.05 0.00 0.11 0.11 -1.96 -2.53 132.00 127.78 3hem h PRO 37 Ca -0.21 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3hem h PRO 37 Cb 0.66 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3hem h PRO 37 CO 0.13 0.66 0.00 -1.13 -0.21 0.00 0.00 178.00 177.46 3hem n SER 38 N -3.80 0.00 -3.93 -2.05 3.41 -1.26 -4.90 113.62 101.09 3hem n SER 38 Ca -0.01 -0.10 -0.29 0.00 -0.26 0.00 0.00 58.87 58.21 3hem n SER 38 Cb 0.63 -0.26 0.01 0.00 -0.26 0.00 0.00 64.21 64.33 3hem n SER 38 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hem n MET 39 N -1.26 -4.87 -2.77 4.33 2.81 -0.96 -4.39 117.12 110.01 3hem n MET 39 Ca 0.11 0.55 -0.42 0.00 -1.81 0.00 0.00 57.70 56.13 3hem n MET 39 Cb 0.17 -5.29 -0.03 0.00 -0.71 0.00 0.00 33.22 27.36 3hem n MET 39 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3hem s THR 40 N -3.42 4.78 -0.82 2.03 2.01 -1.26 -4.43 115.64 114.53 3hem s THR 40 Ca 0.51 1.85 0.02 0.00 0.31 0.00 0.00 61.69 64.38 3hem s THR 40 Cb -0.26 -4.23 0.30 0.00 0.01 0.00 0.00 72.50 68.32 3hem s THR 40 CO 0.85 -0.07 1.21 0.00 -0.69 0.00 0.00 174.62 175.92 3hem n TYR 41 N 5.69 3.19 -3.71 4.92 9.36 -1.26 -4.68 117.16 130.67 3hem n TYR 41 Ca 0.08 -3.38 -0.03 0.00 3.32 0.00 0.00 57.90 57.89 3hem n TYR 41 Cb 0.48 -0.86 -0.01 0.00 -0.63 0.00 0.00 39.34 38.32 3hem n TYR 41 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 3hem s SER 42 N -2.31 -0.18 0.07 2.98 1.04 -1.26 -4.89 113.70 109.16 3hem s SER 42 Ca 0.39 -0.33 -0.35 0.00 0.48 0.00 0.00 55.95 56.15 3hem s SER 42 Cb 0.16 0.44 -0.14 0.00 0.10 0.00 0.00 66.02 66.58 3hem s SER 42 CO -0.03 -0.80 1.62 0.00 0.98 0.00 0.00 173.24 175.01 3hem n ALA 44 N 4.08 -0.82 -3.48 0.00 0.00 -1.26 -4.95 120.51 114.08 3hem n ALA 44 Ca 0.19 -0.66 -0.24 0.00 0.00 0.00 0.00 53.44 52.72 3hem n ALA 44 Cb 0.27 -0.04 -0.13 0.00 0.00 0.00 0.00 19.45 19.55 3hem n ALA 44 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3hem s TYR 45 N -2.03 0.02 -1.45 0.00 5.04 -1.05 -4.77 117.35 113.12 3hem s TYR 45 Ca 0.29 -0.63 -0.11 0.00 -2.44 0.00 0.00 57.07 54.17 3hem s TYR 45 Cb -0.01 -0.72 0.05 0.00 0.35 0.00 0.00 41.96 41.62 3hem s TYR 45 CO 0.21 -0.87 2.33 1.19 -1.34 0.00 0.00 175.55 177.07 3hem n PHE 46 N 5.21 3.08 -0.03 4.97 3.01 -1.26 -4.40 117.46 128.04 3hem n PHE 46 Ca -0.04 -2.95 0.21 0.00 1.01 0.00 0.00 57.45 55.68 3hem n PHE 46 Cb 0.44 -2.35 0.68 0.00 -0.01 0.00 0.00 39.48 38.23 3hem n PHE 46 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3hem h GLU 47 N 5.60 0.03 -4.62 -1.08 4.22 -1.95 -3.38 114.58 113.41 3hem h GLU 47 Ca 0.61 -0.00 -0.43 0.00 0.08 0.00 0.00 59.36 59.62 3hem h GLU 47 Cb 0.53 -0.01 -0.31 0.00 0.50 0.00 0.00 28.75 29.47 3hem h GLU 47 CO 1.78 0.02 -0.79 1.03 -2.18 0.00 0.00 179.01 178.87 3hem s ARG 48 N -5.04 0.97 0.47 1.92 0.52 -1.26 -5.03 118.95 111.49 3hem s ARG 48 Ca -0.05 -0.31 0.21 0.00 -0.52 0.00 0.00 55.73 55.05 3hem s ARG 48 Cb 0.20 -0.90 1.13 0.00 0.52 0.00 0.00 34.95 35.89 3hem s ARG 48 CO 0.74 0.12 1.58 -1.35 0.02 0.00 0.00 175.30 176.41 3hem h PRO 49 N 6.35 0.00 -0.25 3.54 0.11 -2.00 -1.72 132.00 138.03 3hem h PRO 49 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3hem h PRO 49 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hem h PRO 49 CO 0.49 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 3hem n ASP 50 N -2.42 2.75 -4.77 -2.05 5.75 -1.26 -4.99 116.55 109.56 3hem n ASP 50 Ca -0.01 -1.81 -0.39 0.00 -0.01 0.00 0.00 54.79 52.56 3hem n ASP 50 Cb 0.33 -0.16 -0.01 0.00 -1.03 0.00 0.00 41.12 40.25 3hem n ASP 50 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3hem s MET 51 N -1.12 3.97 1.16 0.11 -1.94 -0.65 -5.02 119.30 115.81 3hem s MET 51 Ca 0.24 2.13 -0.18 0.00 -1.71 0.00 0.00 55.69 56.17 3hem s MET 51 Cb 0.14 -2.75 0.27 0.00 2.01 0.00 0.00 34.83 34.51 3hem s MET 51 CO 0.20 -0.48 1.13 0.95 -0.01 0.00 0.00 175.02 176.81 3hem s THR 52 N -1.27 1.67 0.14 2.05 -4.23 -1.26 -4.83 115.64 107.91 3hem s THR 52 Ca 0.57 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.90 3hem s THR 52 Cb -0.37 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 3hem s THR 52 CO 0.48 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.60 3hem h LEU 53 N -2.42 0.31 -1.09 4.79 5.85 -1.98 -2.20 115.31 118.57 3hem h LEU 53 Ca -0.45 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 3hem h LEU 53 Cb 1.29 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 3hem h LEU 53 CO 0.36 0.23 0.33 -0.08 -0.34 0.00 0.00 178.44 178.94 3hem h GLU 54 N 0.38 0.97 0.00 1.25 4.81 -1.99 0.86 114.58 120.87 3hem h GLU 54 Ca 0.12 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3hem h GLU 54 Cb -0.02 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3hem h GLU 54 CO -0.05 0.75 -0.32 0.93 -0.73 0.00 0.00 179.01 179.59 3hem h GLU 55 N 0.97 0.00 0.03 1.92 5.08 -1.90 -2.50 114.58 118.18 3hem h GLU 55 Ca 0.24 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.37 3hem h GLU 55 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3hem h GLU 55 CO -0.03 0.32 -0.99 0.00 -1.00 0.00 0.00 179.01 177.32 3hem h ALA 56 N 1.68 0.36 -0.50 3.43 0.00 -0.28 -1.38 119.26 122.56 3hem h ALA 56 Ca -0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 3hem h ALA 56 Cb 0.83 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3hem h ALA 56 CO 0.04 0.89 0.15 1.96 0.00 0.00 0.00 179.25 182.29 3hem h GLN 57 N 0.16 0.78 -0.64 0.00 1.08 -0.83 0.16 115.11 115.81 3hem h GLN 57 Ca -0.08 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 56.98 3hem h GLN 57 Cb 1.64 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.92 3hem h GLN 57 CO 0.16 0.73 0.40 -0.92 -0.95 0.00 0.00 178.83 178.25 3hem h TYR 58 N 0.68 0.76 -0.49 2.96 3.20 -1.35 0.20 116.97 122.92 3hem h TYR 58 Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3hem h TYR 58 Cb 0.28 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3hem h TYR 58 CO 0.01 0.44 0.12 0.00 -1.64 0.00 0.00 178.16 177.09 3hem h ALA 59 N 1.27 1.29 -0.03 1.82 0.00 -0.69 0.19 119.26 123.13 3hem h ALA 59 Ca 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hem h ALA 59 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hem h ALA 59 CO -0.10 0.50 -0.01 -0.22 0.00 0.00 0.00 179.25 179.42 3hem h LYS 60 N 0.72 0.06 -0.11 0.00 3.11 -0.20 0.23 116.57 120.37 3hem h LYS 60 Ca 0.16 -0.03 0.03 0.00 -2.81 0.00 0.00 60.65 58.00 3hem h LYS 60 Cb 0.26 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 3hem h LYS 60 CO -0.00 0.46 -0.07 0.00 -2.81 0.00 0.00 179.45 177.03 3hem h ARG 61 N -0.34 -0.06 0.33 1.90 3.08 -0.45 -1.61 114.38 117.22 3hem h ARG 61 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hem h ARG 61 Cb 0.44 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3hem h ARG 61 CO 0.00 -0.04 -0.47 -0.22 -1.07 0.00 0.00 179.97 178.18 3hem h LYS 62 N -0.07 -0.80 -0.99 0.04 3.64 -0.65 -0.60 116.57 117.15 3hem h LYS 62 Ca 0.07 0.05 0.28 0.00 -1.27 0.00 0.00 60.65 59.78 3hem h LYS 62 Cb 0.16 0.18 -0.18 0.00 -0.41 0.00 0.00 32.23 31.98 3hem h LYS 62 CO -0.15 -0.53 0.06 1.25 -2.27 0.00 0.00 179.45 177.81 3hem h LEU 63 N -0.83 -0.43 0.25 5.20 5.85 -0.68 0.86 115.31 125.54 3hem h LEU 63 Ca -0.04 0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hem h LEU 63 Cb 0.75 0.47 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3hem h LEU 63 CO -0.13 -0.36 -0.12 0.00 -0.34 0.00 0.00 178.44 177.49 3hem h ALA 64 N 1.98 -0.34 -0.59 1.25 0.00 -0.87 -3.31 119.26 117.39 3hem h ALA 64 Ca 0.61 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.36 3hem h ALA 64 Cb 1.29 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 3hem h ALA 64 CO -0.91 -0.47 0.39 -0.07 0.00 0.00 0.00 179.25 178.20 3hem h LEU 65 N -0.78 0.59 -2.03 0.00 3.38 0.13 -0.84 115.31 115.76 3hem h LEU 65 Ca -0.03 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3hem h LEU 65 Cb 0.51 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3hem h LEU 65 CO 0.06 0.41 0.13 0.44 0.09 0.00 0.00 178.44 179.56 3hem h ASP 66 N 0.69 0.00 1.13 -0.43 3.32 -0.97 -1.76 116.42 118.40 3hem h ASP 66 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3hem h ASP 66 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3hem h ASP 66 CO -0.06 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.75 3hem n LYS 67 N -4.42 0.16 0.00 3.56 5.02 -0.32 -3.32 118.16 118.84 3hem n LYS 67 Ca 0.01 0.20 0.13 0.00 -2.02 0.00 0.00 58.31 56.64 3hem n LYS 67 Cb 0.26 -1.71 0.46 0.00 -0.02 0.00 0.00 35.03 34.02 3hem n LYS 67 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hem n LEU 68 N -2.00 0.28 -3.82 -0.35 4.77 -0.66 -4.94 117.00 110.28 3hem n LEU 68 Ca 0.05 0.22 -0.29 0.00 -0.03 0.00 0.00 56.01 55.97 3hem n LEU 68 Cb 0.35 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3hem n LEU 68 CO 0.26 0.07 -0.15 0.59 -1.33 0.00 0.00 177.39 176.82 3hem n ASN 69 N -1.42 -2.67 -4.77 -1.43 5.03 -1.21 -4.89 115.26 103.90 3hem n ASN 69 Ca 0.07 -1.01 -0.38 0.00 0.87 0.00 0.00 54.58 54.13 3hem n ASN 69 Cb 0.33 -3.21 -0.04 0.00 -1.02 0.00 0.00 39.78 35.85 3hem n ASN 69 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hem s LEU 70 N -6.76 4.30 0.18 3.41 1.43 -1.26 -5.06 118.68 114.92 3hem s LEU 70 Ca 0.23 2.19 0.10 0.00 -1.03 0.00 0.00 54.13 55.61 3hem s LEU 70 Cb -0.08 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 3hem s LEU 70 CO 0.87 -0.41 -0.21 -1.61 0.23 0.00 0.00 176.35 175.23 3hem s GLU 71 N -2.08 1.39 0.59 1.70 2.02 -1.26 -5.11 118.70 115.95 3hem s GLU 71 Ca 0.53 -1.46 -0.19 0.00 0.02 0.00 0.00 54.97 53.86 3hem s GLU 71 Cb -0.27 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 3hem s GLU 71 CO 0.35 0.34 1.25 -2.14 0.02 0.00 0.00 175.26 175.07 3hem s PRO 72 N -2.70 2.97 0.00 0.39 0.02 -1.25 -2.47 135.00 131.95 3hem s PRO 72 Ca 0.18 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.15 3hem s PRO 72 Cb -0.07 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3hem s PRO 72 CO 0.08 -1.24 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 3hem n GLY 73 N 0.63 2.84 3.55 0.52 0.00 -0.41 -4.97 105.19 107.35 3hem n GLY 73 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3hem n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hem n MET 74 N -0.30 -0.37 -4.07 1.61 2.81 -1.03 -4.50 117.12 111.27 3hem n MET 74 Ca 0.00 -0.05 -0.35 0.00 -1.81 0.00 0.00 57.70 55.49 3hem n MET 74 Cb 0.00 -2.13 -0.13 0.00 -0.71 0.00 0.00 33.22 30.25 3hem n MET 74 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3hem s THR 75 N -2.51 3.87 -0.19 2.03 2.01 -1.26 -1.15 115.64 118.44 3hem s THR 75 Ca 0.62 -0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.22 3hem s THR 75 Cb -0.22 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 3hem s THR 75 CO 0.62 0.43 0.03 -0.22 -0.69 0.00 0.00 174.62 174.79 3hem s LEU 76 N 1.04 3.55 -0.23 4.42 2.96 0.09 -1.49 118.68 129.01 3hem s LEU 76 Ca 0.02 -0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.79 3hem s LEU 76 Cb -0.14 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3hem s LEU 76 CO 0.01 0.13 0.11 -0.22 -1.32 0.00 0.00 176.35 175.06 3hem s LEU 77 N 0.61 3.81 -0.32 -0.68 2.96 -0.79 -0.64 118.68 123.63 3hem s LEU 77 Ca 0.01 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.83 3hem s LEU 77 Cb -0.14 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.56 3hem s LEU 77 CO 0.02 0.05 0.11 -0.62 -1.32 0.00 0.00 176.35 174.59 3hem s ASP 78 N 1.13 5.28 -0.32 3.68 2.15 0.78 -1.00 116.67 128.37 3hem s ASP 78 Ca 0.06 -0.82 -0.18 0.00 0.43 0.00 0.00 52.55 52.03 3hem s ASP 78 Cb -0.14 -1.91 -0.01 0.00 -0.30 0.00 0.00 42.92 40.56 3hem s ASP 78 CO 0.04 -0.25 0.54 -0.63 -0.17 0.00 0.00 175.17 174.70 3hem s ILE 79 N 1.50 5.01 -0.37 4.11 1.01 0.08 -0.56 121.20 131.97 3hem s ILE 79 Ca 0.02 0.58 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 3hem s ILE 79 Cb -0.18 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 3hem s ILE 79 CO 0.03 -0.13 0.32 0.61 0.00 0.00 0.00 174.94 175.78 3hem n GLY 80 N 4.63 0.19 0.00 6.18 0.00 0.98 -4.27 105.19 112.90 3hem n GLY 80 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hem n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hem n GLY 82 N 0.31 3.10 1.80 0.00 0.00 -1.26 -1.01 105.19 108.13 3hem n GLY 82 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 3hem n GLY 82 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hem n TRP 83 N 14.00 2.13 0.00 1.61 8.01 -1.26 -4.73 117.44 137.19 3hem n TRP 83 Ca 0.00 -1.07 0.00 0.00 -1.31 0.00 0.00 57.50 55.12 3hem n TRP 83 Cb 0.00 -0.59 0.00 0.00 -2.01 0.00 0.00 31.31 28.71 3hem n TRP 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hem n GLY 84 N -0.06 3.10 0.29 6.99 0.00 -0.18 -4.72 105.19 110.61 3hem n GLY 84 Ca 0.35 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.64 3hem n GLY 84 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hem n SER 85 N 0.15 0.27 -0.02 1.61 3.41 -1.26 0.09 113.62 117.87 3hem n SER 85 Ca 0.00 1.48 -0.16 0.00 -0.26 0.00 0.00 58.87 59.92 3hem n SER 85 Cb 0.00 -0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 63.16 3hem n SER 85 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hem h THR 86 N 0.00 1.37 0.34 6.66 2.02 -1.91 -1.64 112.91 119.75 3hem h THR 86 Ca 0.73 -1.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 3hem h THR 86 Cb 1.90 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 70.57 3hem h THR 86 CO -0.70 0.57 -0.17 0.24 0.37 0.00 0.00 175.52 175.83 3hem h MET 87 N 0.12 -0.45 0.00 6.66 2.86 -0.67 -0.72 114.93 122.72 3hem h MET 87 Ca -0.04 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3hem h MET 87 Cb 1.20 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.97 3hem h MET 87 CO 0.11 -0.21 -0.01 -0.09 1.06 0.00 0.00 176.91 177.77 3hem h ARG 88 N -0.61 0.00 0.06 1.72 2.43 -0.62 0.66 114.38 118.02 3hem h ARG 88 Ca -0.05 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.86 3hem h ARG 88 Cb 0.44 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3hem h ARG 88 CO 0.08 0.01 -1.28 1.25 -1.51 0.00 0.00 179.97 178.52 3hem h HIS 89 N 0.00 0.22 -0.13 2.20 2.76 -1.14 -2.99 115.15 116.07 3hem h HIS 89 Ca -0.00 -0.16 -0.14 0.00 -2.20 0.00 0.00 60.37 57.87 3hem h HIS 89 Cb 0.03 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 3hem h HIS 89 CO 0.00 1.16 -0.52 0.00 -1.30 0.00 0.00 177.93 177.27 3hem h ALA 90 N 0.78 0.87 0.08 5.26 0.00 0.67 -0.96 119.26 125.96 3hem h ALA 90 Ca -0.13 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 3hem h ALA 90 Cb 1.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3hem h ALA 90 CO 0.15 0.68 -0.04 0.28 0.00 0.00 0.00 179.25 180.31 3hem h VAL 91 N 0.29 1.18 -0.69 0.00 2.07 -1.47 -2.65 116.25 114.98 3hem h VAL 91 Ca 0.01 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.29 3hem h VAL 91 Cb 1.01 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 3hem h VAL 91 CO 0.09 0.30 0.40 0.00 0.02 0.00 0.00 177.57 178.37 3hem h ALA 92 N 0.05 0.93 -0.02 1.67 0.00 -1.43 0.11 119.26 120.58 3hem h ALA 92 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hem h ALA 92 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hem h ALA 92 CO 0.02 0.09 -0.40 0.39 0.00 0.00 0.00 179.25 179.35 3hem n GLU 93 N -4.76 1.40 0.00 0.00 -0.58 -0.38 -4.55 120.64 111.78 3hem n GLU 93 Ca 0.09 -1.05 0.00 0.00 -0.42 0.00 0.00 57.16 55.78 3hem n GLU 93 Cb 0.16 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 3hem n GLU 93 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hem n TYR 94 N 0.09 0.00 -3.14 -0.32 4.02 -1.01 -5.06 117.16 111.75 3hem n TYR 94 Ca 0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.84 3hem n TYR 94 Cb 0.45 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.84 3hem n TYR 94 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3hem n ASP 95 N -0.25 -2.34 -4.65 7.72 2.03 0.38 -3.84 116.55 115.60 3hem n ASP 95 Ca 0.00 -0.51 -0.24 0.00 0.52 0.00 0.00 54.79 54.56 3hem n ASP 95 Cb 0.00 -4.25 -0.07 0.00 -0.72 0.00 0.00 41.12 36.08 3hem n ASP 95 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3hem s VAL 96 N -3.29 3.55 0.31 5.18 -7.23 -1.25 -1.29 120.40 116.38 3hem s VAL 96 Ca 0.03 -1.76 -0.27 0.00 -1.81 0.00 0.00 61.98 58.17 3hem s VAL 96 Cb -0.00 -2.87 -0.10 0.00 0.56 0.00 0.00 36.38 33.97 3hem s VAL 96 CO 0.59 -0.30 0.96 0.20 -0.31 0.00 0.00 175.10 176.24 3hem s ASN 97 N -3.47 7.37 -0.02 4.85 0.01 -0.30 -4.42 114.94 118.96 3hem s ASN 97 Ca 0.30 1.89 0.05 0.00 -0.71 0.00 0.00 52.86 54.40 3hem s ASN 97 Cb -0.07 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.99 3hem s ASN 97 CO 0.20 -0.04 -0.19 0.68 -1.51 0.00 0.00 177.10 176.24 3hem s VAL 98 N -1.51 1.48 -0.15 1.60 -7.23 -0.05 -0.73 120.40 113.82 3hem s VAL 98 Ca 0.48 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.87 3hem s VAL 98 Cb -0.21 -1.24 -0.00 0.00 0.56 0.00 0.00 36.38 35.49 3hem s VAL 98 CO 0.26 0.42 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.68 3hem s ILE 99 N -0.34 2.58 -0.13 -0.62 1.01 0.19 -0.98 121.20 122.92 3hem s ILE 99 Ca 0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 3hem s ILE 99 Cb -0.08 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3hem s ILE 99 CO -0.00 0.52 -0.06 -0.83 0.00 0.00 0.00 174.94 174.57 3hem s GLY 100 N 0.76 1.68 -0.15 6.18 0.00 0.25 -0.16 107.32 115.88 3hem s GLY 100 Ca -0.07 -0.85 -0.05 0.00 0.00 0.00 0.00 44.72 43.76 3hem s GLY 100 CO 0.01 -0.25 0.01 1.08 0.00 0.00 0.00 173.10 173.95 3hem s LEU 101 N 0.04 3.57 0.15 0.66 1.02 0.27 -0.57 118.68 123.82 3hem s LEU 101 Ca -0.01 0.02 -0.13 0.00 0.02 0.00 0.00 54.13 54.03 3hem s LEU 101 Cb -0.14 -1.87 0.01 0.00 0.02 0.00 0.00 46.19 44.21 3hem s LEU 101 CO 0.03 0.21 0.35 0.28 0.02 0.00 0.00 176.35 177.24 3hem s THR 102 N 0.13 0.07 -0.23 5.49 -1.32 -0.69 -0.01 115.64 119.08 3hem s THR 102 Ca 0.02 -1.00 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 3hem s THR 102 Cb -0.13 -1.51 0.01 0.00 -1.51 0.00 0.00 72.50 69.37 3hem s THR 102 CO 0.02 -0.33 0.55 0.18 -2.21 0.00 0.00 174.62 172.82 3hem n LEU 103 N -0.22 1.13 -4.76 9.08 4.77 -1.26 -2.13 117.00 123.61 3hem n LEU 103 Ca -0.12 -0.99 -0.39 0.00 -0.03 0.00 0.00 56.01 54.49 3hem n LEU 103 Cb 0.63 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 3hem n LEU 103 CO 0.20 0.26 0.31 -0.55 -1.33 0.00 0.00 177.39 176.29 3hem s SER 104 N -0.18 6.98 0.03 -1.43 0.15 -1.26 -4.74 113.70 113.24 3hem s SER 104 Ca 0.02 1.17 -0.21 0.00 0.70 0.00 0.00 55.95 57.63 3hem s SER 104 Cb 0.02 -2.37 -0.16 0.00 -1.71 0.00 0.00 66.02 61.79 3hem s SER 104 CO 0.02 0.07 1.29 -0.33 1.20 0.00 0.00 173.24 175.49 3hem h GLU 105 N 5.79 0.34 -0.27 5.44 5.08 -1.94 -2.36 114.58 126.66 3hem h GLU 105 Ca -0.45 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 57.73 3hem h GLU 105 Cb 1.20 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 3hem h GLU 105 CO 0.70 0.79 0.10 -0.91 -1.00 0.00 0.00 179.01 178.70 3hem h ASN 106 N -0.08 0.13 -0.73 1.42 2.35 -1.93 0.18 115.58 116.92 3hem h ASN 106 Ca 0.01 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3hem h ASN 106 Cb 0.77 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 3hem h ASN 106 CO 0.04 0.11 0.40 1.56 -1.65 0.00 0.00 177.43 177.90 3hem h GLN 107 N 0.24 1.02 0.08 0.81 4.20 -1.84 -1.62 115.11 117.99 3hem h GLN 107 Ca 0.12 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hem h GLN 107 Cb 0.08 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3hem h GLN 107 CO -0.11 0.76 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.85 3hem h TYR 108 N 1.01 -0.10 -0.70 2.96 3.20 -1.02 0.05 116.97 122.38 3hem h TYR 108 Ca 0.26 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.28 3hem h TYR 108 Cb 0.03 0.03 -0.12 0.00 1.54 0.00 0.00 36.73 38.22 3hem h TYR 108 CO -0.00 0.15 0.02 0.00 -1.64 0.00 0.00 178.16 176.68 3hem h ALA 109 N 0.57 0.73 -0.06 1.82 0.00 -0.51 -1.18 119.26 120.62 3hem h ALA 109 Ca -0.01 0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 3hem h ALA 109 Cb 0.29 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hem h ALA 109 CO 0.02 -0.40 -0.52 1.25 0.00 0.00 0.00 179.25 179.60 3hem h HIS 110 N 0.12 0.65 -0.29 0.00 -0.00 -1.10 -2.65 115.15 111.88 3hem h HIS 110 Ca 0.38 -0.31 -0.05 0.00 -0.00 0.00 0.00 60.37 60.39 3hem h HIS 110 Cb 0.64 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.94 3hem h HIS 110 CO -0.38 1.09 -0.02 -0.44 -0.00 0.00 0.00 177.93 178.18 3hem h ASP 111 N 0.02 0.42 -0.05 3.26 3.32 -0.78 0.11 116.42 122.71 3hem h ASP 111 Ca -0.05 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3hem h ASP 111 Cb 1.19 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 3hem h ASP 111 CO 0.11 0.50 0.02 0.50 -1.72 0.00 0.00 179.24 178.64 3hem h LYS 112 N 0.43 0.09 -0.44 3.56 3.64 -1.17 -1.96 116.57 120.72 3hem h LYS 112 Ca 0.09 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 3hem h LYS 112 Cb 0.32 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3hem h LYS 112 CO 0.01 0.28 -0.07 0.00 -2.27 0.00 0.00 179.45 177.40 3hem h ALA 113 N 0.81 0.61 0.00 5.00 0.00 -1.17 -2.77 119.26 121.72 3hem h ALA 113 Ca 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hem h ALA 113 Cb 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hem h ALA 113 CO -0.00 0.46 -0.00 1.98 0.00 0.00 0.00 179.25 181.69 3hem h MET 114 N 0.66 0.00 0.11 0.00 4.05 -0.66 -0.66 114.93 118.43 3hem h MET 114 Ca 0.12 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.27 3hem h MET 114 Cb 0.59 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 3hem h MET 114 CO 0.04 0.00 -1.20 0.74 0.23 0.00 0.00 176.91 176.72 3hem h PHE 115 N 0.00 0.45 -0.42 1.39 0.05 -1.07 -3.31 116.94 114.03 3hem h PHE 115 Ca -0.00 -0.32 0.08 0.00 3.82 0.00 0.00 57.97 61.55 3hem h PHE 115 Cb 0.02 -0.02 -0.08 0.00 2.00 0.00 0.00 35.95 37.88 3hem h PHE 115 CO 0.00 1.24 -0.08 -0.44 -0.18 0.00 0.00 178.31 178.85 3hem h ASP 116 N 0.07 -0.33 0.00 2.17 3.32 -1.04 -3.34 116.42 117.27 3hem h ASP 116 Ca -0.12 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hem h ASP 116 Cb 1.92 0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.71 3hem h ASP 116 CO 0.19 -0.12 0.00 -0.62 -1.72 0.00 0.00 179.24 176.98 3hem n GLU 117 N -5.29 0.00 -1.49 3.56 1.02 -1.22 -4.71 120.64 112.52 3hem n GLU 117 Ca 0.03 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 3hem n GLU 117 Cb 0.23 -0.04 0.09 0.00 -0.02 0.00 0.00 31.44 31.70 3hem n GLU 117 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hem s VAL 118 N 0.00 2.24 0.13 2.62 1.01 -1.25 -5.02 120.40 120.12 3hem s VAL 118 Ca 0.00 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.18 3hem s VAL 118 Cb 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3hem s VAL 118 CO 0.00 -0.06 -0.18 -1.81 0.00 0.00 0.00 175.10 173.05 3hem s ASP 119 N -1.90 2.43 -0.21 3.32 1.11 -1.26 -4.92 116.67 115.23 3hem s ASP 119 Ca 0.76 -0.76 -0.28 0.00 0.18 0.00 0.00 52.55 52.44 3hem s ASP 119 Cb -0.31 -0.13 0.13 0.00 1.07 0.00 0.00 42.92 43.69 3hem s ASP 119 CO 0.44 -0.02 1.06 -0.55 1.18 0.00 0.00 175.17 177.28 3hem s SER 120 N -2.25 -0.35 0.00 0.27 0.15 -1.26 -5.00 113.70 105.25 3hem s SER 120 Ca 0.09 0.50 0.05 0.00 0.70 0.00 0.00 55.95 57.30 3hem s SER 120 Cb -0.08 0.45 0.29 0.00 -1.71 0.00 0.00 66.02 64.97 3hem s SER 120 CO 0.05 -0.24 0.73 -0.81 1.20 0.00 0.00 173.24 174.16 3hem n PRO 121 N 1.22 0.16 -3.38 5.44 -0.04 -1.26 -4.73 135.00 132.42 3hem n PRO 121 Ca -0.10 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.02 3hem n PRO 121 Cb 0.57 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 3hem n PRO 121 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hem s ARG 122 N -2.00 3.92 0.25 0.54 1.81 -1.26 -5.06 118.95 117.15 3hem s ARG 122 Ca 0.07 0.42 -0.30 0.00 -1.72 0.00 0.00 55.73 54.20 3hem s ARG 122 Cb 0.03 -2.84 -0.09 0.00 -0.45 0.00 0.00 34.95 31.60 3hem s ARG 122 CO 0.06 0.43 1.28 1.03 -0.68 0.00 0.00 175.30 177.41 3hem s ARG 123 N -2.23 4.42 -0.32 3.54 0.52 -1.26 -4.95 118.95 118.68 3hem s ARG 123 Ca 0.41 2.06 0.01 0.00 -0.52 0.00 0.00 55.73 57.69 3hem s ARG 123 Cb -0.14 -3.16 0.10 0.00 0.52 0.00 0.00 34.95 32.27 3hem s ARG 123 CO 0.20 -0.17 0.07 0.15 0.02 0.00 0.00 175.30 175.58 3hem s LYS 124 N -0.75 1.03 -0.13 3.54 1.02 -1.26 -0.87 119.74 122.32 3hem s LYS 124 Ca 0.53 -1.37 0.03 0.00 0.02 0.00 0.00 55.97 55.17 3hem s LYS 124 Cb -0.37 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3hem s LYS 124 CO 0.42 -0.96 -0.22 -1.21 -0.92 0.00 0.00 175.35 172.47 3hem s GLU 125 N 1.34 2.94 -0.10 1.68 2.02 -0.16 -5.02 118.70 121.39 3hem s GLU 125 Ca 0.10 -0.83 -0.00 0.00 0.02 0.00 0.00 54.97 54.26 3hem s GLU 125 Cb -0.18 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.68 3hem s GLU 125 CO -0.18 0.02 -0.09 0.54 0.02 0.00 0.00 175.26 175.56 3hem s VAL 126 N 0.74 3.43 0.06 2.63 0.11 -1.26 0.87 120.40 126.99 3hem s VAL 126 Ca -0.09 -0.55 0.06 0.00 -2.93 0.00 0.00 61.98 58.47 3hem s VAL 126 Cb -0.16 -2.43 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 3hem s VAL 126 CO 0.00 0.55 -0.17 -0.13 -3.33 0.00 0.00 175.10 172.02 3hem s ARG 127 N -0.17 1.08 -1.26 1.54 0.52 0.27 -4.93 118.95 115.99 3hem s ARG 127 Ca 0.01 -0.91 -0.13 0.00 -0.52 0.00 0.00 55.73 54.18 3hem s ARG 127 Cb -0.13 -1.17 0.14 0.00 0.52 0.00 0.00 34.95 34.32 3hem s ARG 127 CO 0.03 0.29 1.67 -0.89 0.02 0.00 0.00 175.30 176.41 3hem n ILE 128 N 1.66 4.17 -4.03 1.52 5.41 -1.26 -1.71 119.36 125.14 3hem n ILE 128 Ca -0.18 -4.41 -0.13 0.00 1.00 0.00 0.00 62.75 59.03 3hem n ILE 128 Cb 0.54 -2.43 -0.13 0.00 -0.71 0.00 0.00 39.64 36.91 3hem n ILE 128 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 3hem s GLN 129 N 1.76 0.34 0.47 0.38 0.74 -0.91 -4.95 119.66 117.48 3hem s GLN 129 Ca 0.44 -0.41 -0.04 0.00 0.05 0.00 0.00 55.36 55.39 3hem s GLN 129 Cb 0.03 -0.17 -0.03 0.00 1.10 0.00 0.00 33.01 33.93 3hem s GLN 129 CO 0.01 0.03 0.76 0.20 -0.55 0.00 0.00 175.29 175.74 3hem s GLY 130 N -0.83 1.48 0.48 2.59 0.00 -1.26 -3.64 107.32 106.15 3hem s GLY 130 Ca -0.06 -0.57 0.23 0.00 0.00 0.00 0.00 44.72 44.33 3hem s GLY 130 CO -0.00 -0.41 2.00 0.11 0.00 0.00 0.00 173.10 174.79 3hem h TRP 131 N 0.29 0.00 0.00 1.90 5.08 -1.97 -1.55 115.95 119.69 3hem h TRP 131 Ca -0.47 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.48 3hem h TRP 131 Cb 1.21 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3hem h TRP 131 CO 0.57 0.18 -0.10 0.93 -1.28 0.00 0.00 178.44 178.74 3hem h GLU 132 N 0.00 0.00 -0.01 0.12 3.07 -1.92 -2.87 114.58 112.97 3hem h GLU 132 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hem h GLU 132 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3hem h GLU 132 CO 0.02 0.10 -0.40 0.39 -1.40 0.00 0.00 179.01 177.72 3hem n GLU 133 N -3.74 2.08 -2.53 2.33 1.02 -0.62 -4.86 120.64 114.32 3hem n GLU 133 Ca -0.02 -0.50 -0.38 0.00 -0.02 0.00 0.00 57.16 56.24 3hem n GLU 133 Cb 0.20 -1.18 -0.04 0.00 -0.02 0.00 0.00 31.44 30.40 3hem n GLU 133 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3hem s PHE 134 N -1.88 3.37 0.00 -0.32 5.36 -0.98 -4.96 117.98 118.57 3hem s PHE 134 Ca 0.09 1.67 0.04 0.00 -0.96 0.00 0.00 56.93 57.77 3hem s PHE 134 Cb 0.11 -3.16 0.06 0.00 -0.34 0.00 0.00 43.02 39.69 3hem s PHE 134 CO 0.41 -0.57 0.83 -3.47 -1.46 0.00 0.00 175.22 170.96 3hem n ASP 135 N 0.29 -0.14 -4.94 6.13 2.03 -1.26 -5.03 116.55 113.63 3hem n ASP 135 Ca 0.03 -1.61 -0.21 0.00 0.52 0.00 0.00 54.79 53.52 3hem n ASP 135 Cb 0.48 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.86 3hem n ASP 135 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3hem s GLU 136 N 0.00 3.28 0.14 -0.67 2.02 -1.26 -5.10 118.70 117.10 3hem s GLU 136 Ca 0.05 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.88 3hem s GLU 136 Cb 0.05 -2.80 -0.07 0.00 0.10 0.00 0.00 34.13 31.42 3hem s GLU 136 CO -0.02 0.38 0.94 -2.14 0.02 0.00 0.00 175.26 174.43 3hem s PRO 137 N -3.97 4.72 0.11 0.39 0.02 -1.26 -4.86 135.00 130.16 3hem s PRO 137 Ca 0.35 1.43 0.01 0.00 0.02 0.00 0.00 61.00 62.80 3hem s PRO 137 Cb -0.09 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.04 3hem s PRO 137 CO 0.28 0.30 -0.03 0.14 -0.33 0.00 0.00 177.00 177.37 3hem s VAL 138 N -0.31 0.53 -0.19 3.83 -7.23 -0.33 -5.03 120.40 111.67 3hem s VAL 138 Ca 0.45 -1.92 -0.22 0.00 -1.81 0.00 0.00 61.98 58.48 3hem s VAL 138 Cb -0.24 -1.82 -0.21 0.00 0.56 0.00 0.00 36.38 34.67 3hem s VAL 138 CO 0.30 -0.73 0.32 0.44 -0.31 0.00 0.00 175.10 175.11 3hem h ASP 139 N 2.91 0.04 -3.81 4.85 3.45 -1.55 -3.36 116.42 118.96 3hem h ASP 139 Ca -0.35 -0.62 -0.35 0.00 0.43 0.00 0.00 57.03 56.14 3hem h ASP 139 Cb 1.18 -0.01 -0.15 0.00 -0.56 0.00 0.00 39.33 39.79 3hem h ASP 139 CO 0.64 1.45 -0.71 -0.13 -1.57 0.00 0.00 179.24 178.91 3hem s ARG 140 N -2.36 1.13 -0.02 3.56 1.81 -1.04 -3.91 118.95 118.12 3hem s ARG 140 Ca -0.27 -1.49 0.01 0.00 -1.72 0.00 0.00 55.73 52.26 3hem s ARG 140 Cb 0.05 -0.72 0.01 0.00 -0.45 0.00 0.00 34.95 33.83 3hem s ARG 140 CO 0.62 0.09 -0.05 0.42 -0.68 0.00 0.00 175.30 175.70 3hem s ILE 141 N -3.26 0.46 0.05 1.52 1.01 -0.88 -1.88 121.20 118.21 3hem s ILE 141 Ca 0.19 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.73 3hem s ILE 141 Cb 0.02 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 3hem s ILE 141 CO 0.02 0.17 -0.16 0.54 0.00 0.00 0.00 174.94 175.51 3hem s VAL 142 N 0.42 1.32 -0.23 2.92 0.11 -0.17 -1.34 120.40 123.42 3hem s VAL 142 Ca -0.05 -1.10 -0.04 0.00 -2.93 0.00 0.00 61.98 57.86 3hem s VAL 142 Cb -0.09 -1.18 0.12 0.00 -1.53 0.00 0.00 36.38 33.71 3hem s VAL 142 CO -0.00 0.05 0.41 -0.55 -3.33 0.00 0.00 175.10 171.68 3hem s SER 143 N -1.21 -0.07 -0.23 3.54 0.15 -1.07 -0.74 113.70 114.06 3hem s SER 143 Ca 0.04 0.55 -0.03 0.00 0.70 0.00 0.00 55.95 57.21 3hem s SER 143 Cb -0.08 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 3hem s SER 143 CO 0.02 -0.27 -0.05 -0.76 1.20 0.00 0.00 173.24 173.37 3hem s LEU 144 N 2.60 2.97 -1.39 3.45 1.43 -1.26 -1.29 118.68 125.19 3hem s LEU 144 Ca 0.08 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 3hem s LEU 144 Cb -0.14 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.37 3hem s LEU 144 CO -0.15 -0.06 0.99 0.61 0.23 0.00 0.00 176.35 177.97 3hem n GLY 145 N 4.76 -0.51 0.00 -3.19 0.00 -0.72 -4.83 105.19 100.71 3hem n GLY 145 Ca -0.18 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3hem n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hem n ALA 146 N -4.53 1.77 -0.04 4.61 0.00 -1.26 -4.81 120.51 116.24 3hem n ALA 146 Ca -0.03 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.64 3hem n ALA 146 Cb 0.58 0.12 0.71 0.00 0.00 0.00 0.00 19.45 20.86 3hem n ALA 146 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3hem h PHE 147 N 0.00 0.00 0.00 0.00 3.57 -1.88 -0.34 116.94 118.30 3hem h PHE 147 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hem h PHE 147 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3hem h PHE 147 CO 0.00 0.00 0.00 0.39 -2.23 0.00 0.00 178.31 176.47 3hem n GLU 148 N -4.22 0.39 0.00 1.11 4.71 -1.26 -1.62 120.64 119.75 3hem n GLU 148 Ca 0.12 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.32 3hem n GLU 148 Cb 0.73 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.64 3hem n GLU 148 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3hem n HIS 149 N -1.00 0.00 0.12 -0.32 8.25 -0.14 -1.33 115.22 120.80 3hem n HIS 149 Ca 0.09 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.53 3hem n HIS 149 Cb 0.04 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.24 3hem n HIS 149 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3hem h PHE 150 N 0.70 0.00 0.00 4.41 -1.00 -1.45 -1.99 116.94 117.61 3hem h PHE 150 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3hem h PHE 150 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 3hem h PHE 150 CO 0.00 0.71 0.00 0.00 -1.61 0.00 0.00 178.31 177.41 3hem n ALA 151 N -2.38 2.31 -2.83 2.45 0.00 -1.26 -4.71 120.51 114.09 3hem n ALA 151 Ca -0.01 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 3hem n ALA 151 Cb 0.72 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 3hem n ALA 151 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hem s ASP 152 N -2.47 6.37 0.21 0.00 3.68 -0.75 -0.24 116.67 123.46 3hem s ASP 152 Ca 0.27 0.32 -0.22 0.00 2.13 0.00 0.00 52.55 55.05 3hem s ASP 152 Cb 0.17 -1.97 0.05 0.00 -1.45 0.00 0.00 42.92 39.72 3hem s ASP 152 CO 0.37 -0.02 0.63 -0.83 0.13 0.00 0.00 175.17 175.45 3hem s GLY 153 N -3.25 -0.38 -0.77 2.66 0.00 -1.26 -4.44 107.32 99.88 3hem s GLY 153 Ca 0.37 0.13 -0.24 0.00 0.00 0.00 0.00 44.72 44.98 3hem s GLY 153 CO 0.29 0.02 1.89 0.00 0.00 0.00 0.00 173.10 175.30 3hem n ALA 154 N -0.40 2.50 -2.19 3.20 0.00 0.19 -3.64 120.51 120.17 3hem n ALA 154 Ca -0.12 -3.12 -0.02 0.00 0.00 0.00 0.00 53.44 50.18 3hem n ALA 154 Cb 0.63 -3.61 0.00 0.00 0.00 0.00 0.00 19.45 16.47 3hem n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hem n GLY 155 N 4.94 0.44 1.50 0.00 0.00 -1.26 -4.83 105.19 105.99 3hem n GLY 155 Ca 0.48 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 3hem n GLY 155 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hem n ASP 156 N 1.49 -0.06 -4.52 1.61 3.85 -1.24 -5.09 116.55 112.59 3hem n ASP 156 Ca -0.02 -2.02 -0.31 0.00 -0.71 0.00 0.00 54.79 51.73 3hem n ASP 156 Cb 0.51 0.04 0.16 0.00 -1.35 0.00 0.00 41.12 40.49 3hem n ASP 156 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hem n ALA 157 N 0.00 -1.97 0.00 2.12 0.00 -1.26 -4.61 120.51 114.79 3hem n ALA 157 Ca -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3hem n ALA 157 Cb 0.90 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3hem n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hem n GLY 158 N 0.93 4.59 0.28 0.00 0.00 0.67 -4.93 105.19 106.73 3hem n GLY 158 Ca 0.08 -0.73 0.19 0.00 0.00 0.00 0.00 46.02 45.56 3hem n GLY 158 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hem h PHE 159 N 0.00 0.00 0.00 1.61 -1.00 -1.95 0.54 116.94 116.15 3hem h PHE 159 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3hem h PHE 159 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3hem h PHE 159 CO 0.00 0.00 0.31 1.05 -1.61 0.00 0.00 178.31 178.06 3hem h GLU 160 N 0.00 0.00 -0.12 1.51 9.09 -1.94 -1.14 114.58 121.98 3hem h GLU 160 Ca 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.26 3hem h GLU 160 Cb 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.20 3hem h GLU 160 CO 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 179.01 178.50 3hem h ARG 161 N 0.00 0.38 -0.60 1.06 3.08 -1.20 -2.75 114.38 114.34 3hem h ARG 161 Ca 0.00 -0.24 0.17 0.00 0.07 0.00 0.00 59.98 59.98 3hem h ARG 161 Cb 0.62 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3hem h ARG 161 CO 0.00 0.84 0.50 1.88 -1.07 0.00 0.00 179.97 182.12 3hem h TYR 162 N 0.29 0.00 -0.06 3.04 0.99 -1.41 -1.74 116.97 118.08 3hem h TYR 162 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3hem h TYR 162 Cb 1.08 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.81 3hem h TYR 162 CO 0.03 0.00 -0.02 0.22 -0.00 0.00 0.00 178.16 178.39 3hem h ASP 163 N 0.00 0.12 -0.26 3.88 1.82 -1.64 -1.80 116.42 118.54 3hem h ASP 163 Ca 0.28 -0.40 0.03 0.00 -0.39 0.00 0.00 57.03 56.56 3hem h ASP 163 Cb 1.28 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 41.23 3hem h ASP 163 CO -0.00 0.49 0.06 0.74 -1.61 0.00 0.00 179.24 178.92 3hem h THR 164 N -0.25 0.89 -0.07 2.25 2.02 -1.47 -2.61 112.91 113.67 3hem h THR 164 Ca 0.01 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.15 3hem h THR 164 Cb 0.44 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3hem h THR 164 CO 0.01 0.03 -0.20 0.15 0.37 0.00 0.00 175.52 175.88 3hem h PHE 165 N 0.17 -0.60 -0.26 3.16 3.57 -1.21 0.44 116.94 122.20 3hem h PHE 165 Ca 0.12 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 3hem h PHE 165 Cb 0.11 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3hem h PHE 165 CO -0.15 -0.20 0.03 0.74 -2.23 0.00 0.00 178.31 176.51 3hem h PHE 166 N -0.20 0.38 -0.22 0.41 -1.00 -1.36 -1.97 116.94 112.97 3hem h PHE 166 Ca 0.01 -0.02 -0.18 0.00 2.81 0.00 0.00 57.97 60.59 3hem h PHE 166 Cb 0.24 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 3hem h PHE 166 CO -0.53 0.36 -0.60 -0.22 -1.61 0.00 0.00 178.31 175.72 3hem h LYS 167 N 0.37 0.74 0.62 1.51 3.64 -1.27 -2.36 116.57 119.81 3hem h LYS 167 Ca 0.09 -0.49 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 3hem h LYS 167 Cb 0.20 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3hem h LYS 167 CO 0.00 1.12 -0.41 -0.22 -2.27 0.00 0.00 179.45 177.67 3hem h LYS 168 N 0.55 -0.93 0.00 1.90 3.64 -0.19 -2.85 116.57 118.69 3hem h LYS 168 Ca -0.00 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3hem h LYS 168 Cb 1.19 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 3hem h LYS 168 CO 0.12 -0.62 0.00 1.19 -2.27 0.00 0.00 179.45 177.87 3hem n PHE 169 N -4.95 0.00 0.15 1.91 3.01 -0.89 -0.26 117.46 116.43 3hem n PHE 169 Ca -0.12 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.36 3hem n PHE 169 Cb 0.41 -0.24 0.14 0.00 -0.01 0.00 0.00 39.48 39.77 3hem n PHE 169 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 3hem h TYR 170 N 0.00 0.00 0.00 1.38 3.20 -1.28 -3.26 116.97 117.01 3hem h TYR 170 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hem h TYR 170 Cb 0.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3hem h TYR 170 CO 0.00 0.54 -1.04 0.09 -1.64 0.00 0.00 178.16 176.11 3hem n ASN 171 N -3.41 0.64 -0.38 -2.11 3.02 0.64 -3.83 115.26 109.82 3hem n ASN 171 Ca 0.01 -0.37 0.12 0.00 -0.03 0.00 0.00 54.58 54.30 3hem n ASN 171 Cb 0.67 0.88 0.21 0.00 -0.61 0.00 0.00 39.78 40.93 3hem n ASN 171 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hem n LEU 172 N -1.83 1.52 -4.57 3.41 4.77 -0.85 -4.93 117.00 114.53 3hem n LEU 172 Ca 0.02 -0.50 -0.30 0.00 -0.03 0.00 0.00 56.01 55.20 3hem n LEU 172 Cb 0.41 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 3hem n LEU 172 CO 0.41 0.28 -0.42 0.42 -1.33 0.00 0.00 177.39 176.75 3hem s THR 173 N -2.46 3.36 1.10 -5.08 -4.23 -1.23 -1.19 115.64 105.92 3hem s THR 173 Ca 0.22 -1.14 -0.18 0.00 -1.18 0.00 0.00 61.69 59.41 3hem s THR 173 Cb 0.19 -2.53 0.28 0.00 1.34 0.00 0.00 72.50 71.78 3hem s THR 173 CO 0.53 0.20 0.63 -0.81 -0.54 0.00 0.00 174.62 174.64 3hem n PRO 174 N 1.00 -3.89 0.21 3.99 -0.04 -1.26 -4.80 135.00 130.21 3hem n PRO 174 Ca -0.14 -1.06 0.13 0.00 -0.04 0.00 0.00 63.50 62.39 3hem n PRO 174 Cb 0.52 -1.43 0.32 0.00 -0.04 0.00 0.00 33.50 32.87 3hem n PRO 174 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3hem h ASP 175 N -3.20 0.00 -0.61 3.54 3.32 -1.97 -1.89 116.42 115.60 3hem h ASP 175 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3hem h ASP 175 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3hem h ASP 175 CO 0.17 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.79 3hem n ASP 176 N -2.91 5.30 -4.77 6.45 3.85 -1.26 -4.66 116.55 118.54 3hem n ASP 176 Ca 0.04 -2.70 -0.40 0.00 -0.71 0.00 0.00 54.79 51.01 3hem n ASP 176 Cb 0.46 -0.64 0.01 0.00 -1.35 0.00 0.00 41.12 39.60 3hem n ASP 176 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3hem s GLY 177 N -0.83 2.93 0.04 6.12 0.00 -0.71 -4.94 107.32 109.93 3hem s GLY 177 Ca 0.53 1.49 0.02 0.00 0.00 0.00 0.00 44.72 46.77 3hem s GLY 177 CO 0.20 2.13 -0.08 0.50 0.00 0.00 0.00 173.10 175.85 3hem s ARG 178 N -2.34 0.55 -0.06 2.90 0.52 -1.25 -3.86 118.95 115.41 3hem s ARG 178 Ca 0.58 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 3hem s ARG 178 Cb -0.44 -0.37 0.02 0.00 0.52 0.00 0.00 34.95 34.68 3hem s ARG 178 CO 0.58 0.08 -0.03 1.41 0.02 0.00 0.00 175.30 177.36 3hem s MET 179 N -1.35 0.79 -0.47 3.54 1.75 -0.12 -2.07 119.30 121.37 3hem s MET 179 Ca -0.07 -0.04 -0.13 0.00 -1.25 0.00 0.00 55.69 54.21 3hem s MET 179 Cb -0.09 -0.94 0.10 0.00 2.84 0.00 0.00 34.83 36.74 3hem s MET 179 CO 0.00 -0.18 0.37 -1.17 -0.65 0.00 0.00 175.02 173.40 3hem s LEU 180 N 1.37 5.64 -0.36 4.11 1.98 -0.45 -0.24 118.68 130.73 3hem s LEU 180 Ca -0.04 -1.61 -0.15 0.00 -2.89 0.00 0.00 54.13 49.44 3hem s LEU 180 Cb -0.13 -2.10 -0.01 0.00 0.66 0.00 0.00 46.19 44.61 3hem s LEU 180 CO -0.03 -0.67 0.35 -0.22 -1.89 0.00 0.00 176.35 173.89 3hem s LEU 181 N 1.51 4.57 -0.18 -0.68 2.96 -0.18 -2.61 118.68 124.08 3hem s LEU 181 Ca 0.04 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3hem s LEU 181 Cb -0.26 -2.30 -0.00 0.00 0.50 0.00 0.00 46.19 44.13 3hem s LEU 181 CO 0.03 -0.37 -0.12 -2.28 -1.32 0.00 0.00 176.35 172.29 3hem s HIS 182 N 1.96 2.85 -0.11 5.38 5.65 -0.41 -0.20 115.29 130.40 3hem s HIS 182 Ca 0.10 -1.10 -0.28 0.00 0.25 0.00 0.00 55.06 54.03 3hem s HIS 182 Cb -0.17 -1.97 0.07 0.00 -1.18 0.00 0.00 32.58 29.33 3hem s HIS 182 CO 0.12 -0.55 0.67 -0.08 -0.65 0.00 0.00 174.74 174.25 3hem s THR 183 N 1.10 0.00 0.38 0.89 -1.32 -0.77 -1.75 115.64 114.17 3hem s THR 183 Ca 0.00 -0.02 -0.27 0.00 -1.21 0.00 0.00 61.69 60.19 3hem s THR 183 Cb -0.14 -0.97 -0.09 0.00 -1.51 0.00 0.00 72.50 69.78 3hem s THR 183 CO -0.04 -0.01 1.29 -0.63 -2.21 0.00 0.00 174.62 173.02 3hem s ILE 184 N -0.77 2.72 0.30 5.08 1.01 -1.26 -0.92 121.20 127.36 3hem s ILE 184 Ca -0.08 0.66 0.03 0.00 0.00 0.00 0.00 60.65 61.26 3hem s ILE 184 Cb -0.02 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 3hem s ILE 184 CO 0.07 0.11 0.13 0.42 0.00 0.00 0.00 174.94 175.67 3hem s THR 185 N -1.24 0.47 0.07 2.92 -4.23 0.13 -4.20 115.64 109.55 3hem s THR 185 Ca 0.54 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.10 3hem s THR 185 Cb -0.38 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 3hem s THR 185 CO 0.49 0.00 -0.14 0.27 -0.54 0.00 0.00 174.62 174.70 3hem s ILE 186 N -3.61 1.05 0.47 2.99 -4.36 -0.45 -1.10 121.20 116.19 3hem s ILE 186 Ca 0.35 -1.25 -0.24 0.00 -0.26 0.00 0.00 60.65 59.25 3hem s ILE 186 Cb 0.06 -1.02 -0.07 0.00 1.25 0.00 0.00 42.46 42.68 3hem s ILE 186 CO 0.16 -0.22 1.41 -2.84 0.24 0.00 0.00 174.94 173.68 3hem s PRO 187 N -1.66 3.57 0.28 0.37 0.02 -1.26 -4.27 135.00 132.04 3hem s PRO 187 Ca -0.02 2.36 -0.29 0.00 0.02 0.00 0.00 61.00 63.07 3hem s PRO 187 Cb -0.10 -2.56 -0.09 0.00 0.02 0.00 0.00 34.50 31.77 3hem s PRO 187 CO 0.02 -0.89 1.00 -0.51 -0.33 0.00 0.00 177.00 176.28 3hem s ASP 188 N -0.62 7.42 0.00 2.53 1.01 -1.26 -4.68 116.67 121.06 3hem s ASP 188 Ca 0.63 2.03 0.00 0.00 0.71 0.00 0.00 52.55 55.93 3hem s ASP 188 Cb -0.43 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 40.90 3hem s ASP 188 CO 0.54 -0.02 0.00 2.29 0.21 0.00 0.00 175.17 178.19 3hem n LYS 189 N 1.13 0.00 -0.22 8.23 0.00 -1.26 0.12 118.16 126.17 3hem n LYS 189 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 3hem n LYS 189 Cb 0.47 0.00 0.13 0.00 -0.00 0.00 0.00 35.03 35.63 3hem n LYS 189 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 3hem h GLU 190 N 0.00 0.28 -0.04 -1.58 4.81 -2.00 -2.06 114.58 113.98 3hem h GLU 190 Ca 0.00 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 3hem h GLU 190 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3hem h GLU 190 CO 0.00 0.18 -0.85 1.49 -0.73 0.00 0.00 179.01 179.11 3hem h GLU 191 N 0.29 0.45 0.20 1.92 4.81 0.60 -2.00 114.58 120.84 3hem h GLU 191 Ca 0.35 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3hem h GLU 191 Cb 0.54 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3hem h GLU 191 CO -0.43 1.07 -0.09 0.00 -0.73 0.00 0.00 179.01 178.83 3hem h ALA 192 N 0.79 -0.26 -0.56 2.92 0.00 -0.64 0.15 119.26 121.65 3hem h ALA 192 Ca -0.06 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.89 3hem h ALA 192 Cb 1.46 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 3hem h ALA 192 CO 0.15 -0.64 0.14 1.96 0.00 0.00 0.00 179.25 180.86 3hem h GLN 193 N -0.28 0.27 -0.13 0.00 4.20 -1.37 -1.15 115.11 116.65 3hem h GLN 193 Ca -0.03 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3hem h GLN 193 Cb 0.22 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3hem h GLN 193 CO 0.04 0.18 -0.14 1.49 -0.67 0.00 0.00 178.83 179.73 3hem h GLU 194 N 0.28 0.20 0.00 1.46 4.22 -1.02 -0.45 114.58 119.27 3hem h GLU 194 Ca 0.29 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.68 3hem h GLU 194 Cb 0.40 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3hem h GLU 194 CO -0.36 0.35 0.00 -0.07 -2.18 0.00 0.00 179.01 176.75 3hem h LEU 195 N 0.19 0.00 0.22 1.64 3.38 0.18 -3.47 115.31 117.46 3hem h LEU 195 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hem h LEU 195 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hem h LEU 195 CO 0.02 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.12 3hem n GLY 196 N 0.69 0.33 3.76 0.83 0.00 -0.18 -5.01 105.19 105.61 3hem n GLY 196 Ca 0.03 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 3hem n GLY 196 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hem s LEU 197 N -0.49 3.93 -0.01 0.99 1.43 -0.95 -5.04 118.68 118.55 3hem s LEU 197 Ca 0.00 2.48 -0.10 0.00 -1.03 0.00 0.00 54.13 55.47 3hem s LEU 197 Cb 0.00 -4.28 0.01 0.00 0.03 0.00 0.00 46.19 41.95 3hem s LEU 197 CO 0.00 -1.20 0.21 0.28 0.23 0.00 0.00 176.35 175.87 3hem s THR 198 N -1.46 0.07 -0.69 5.49 -1.32 -1.26 -4.88 115.64 111.58 3hem s THR 198 Ca 0.67 -0.58 0.05 0.00 -1.21 0.00 0.00 61.69 60.62 3hem s THR 198 Cb -0.33 -0.50 0.17 0.00 -1.51 0.00 0.00 72.50 70.32 3hem s THR 198 CO 0.39 -0.32 0.48 -0.44 -2.21 0.00 0.00 174.62 172.52 3hem s SER 199 N -1.32 4.81 1.32 8.08 0.01 -1.26 -5.07 113.70 120.27 3hem s SER 199 Ca -0.14 -3.81 -0.19 0.00 1.31 0.00 0.00 55.95 53.12 3hem s SER 199 Cb -0.06 -1.64 0.32 0.00 0.21 0.00 0.00 66.02 64.84 3hem s SER 199 CO 0.03 -0.09 0.80 -2.65 0.41 0.00 0.00 173.24 171.73 3hem n PRO 200 N 2.04 -3.68 -0.02 12.44 -0.02 -1.26 -4.73 135.00 139.77 3hem n PRO 200 Ca 0.19 -1.08 -0.10 0.00 -2.02 0.00 0.00 63.50 60.49 3hem n PRO 200 Cb 0.35 -1.93 0.05 0.00 -0.02 0.00 0.00 33.50 31.94 3hem n PRO 200 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3hem h MET 201 N -3.16 0.63 -0.68 -0.52 1.85 -1.99 -2.84 114.93 108.21 3hem h MET 201 Ca -0.47 -0.37 0.10 0.00 -0.61 0.00 0.00 59.70 58.35 3hem h MET 201 Cb 1.28 0.03 -0.08 0.00 0.43 0.00 0.00 31.60 33.27 3hem h MET 201 CO 0.33 0.98 0.30 0.66 -0.40 0.00 0.00 176.91 178.79 3hem h SER 202 N 0.50 0.36 -0.20 1.39 4.64 -1.99 0.56 113.55 118.80 3hem h SER 202 Ca 0.02 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3hem h SER 202 Cb 1.04 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3hem h SER 202 CO 0.10 0.19 0.08 0.25 -0.87 0.00 0.00 176.83 176.58 3hem h LEU 203 N 0.51 0.27 -0.75 5.97 5.85 -1.86 -1.44 115.31 123.87 3hem h LEU 203 Ca 0.35 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3hem h LEU 203 Cb 0.41 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3hem h LEU 203 CO -0.30 0.37 0.46 -0.07 -0.34 0.00 0.00 178.44 178.56 3hem h LEU 204 N 0.16 0.75 -1.33 2.25 3.38 -1.18 -0.14 115.31 119.21 3hem h LEU 204 Ca 0.07 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3hem h LEU 204 Cb 0.18 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3hem h LEU 204 CO -0.01 0.51 0.47 0.03 0.09 0.00 0.00 178.44 179.53 3hem h ARG 205 N 0.89 0.86 -0.03 1.13 3.08 -0.72 -2.20 114.38 117.39 3hem h ARG 205 Ca 0.31 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 3hem h ARG 205 Cb 0.07 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3hem h ARG 205 CO -0.13 0.57 -0.04 0.35 -1.07 0.00 0.00 179.97 179.65 3hem h PHE 206 N 0.89 0.10 -0.44 3.04 3.57 0.03 -0.26 116.94 123.86 3hem h PHE 206 Ca 0.28 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.80 3hem h PHE 206 Cb 0.02 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 3hem h PHE 206 CO -0.00 0.56 0.17 0.82 -2.23 0.00 0.00 178.31 177.63 3hem h ILE 207 N -0.39 0.88 -0.41 1.41 1.08 -1.09 0.45 117.51 119.44 3hem h ILE 207 Ca 0.00 -0.12 0.08 0.00 -0.39 0.00 0.00 64.86 64.43 3hem h ILE 207 Cb 0.54 0.50 -0.07 0.00 -3.07 0.00 0.00 36.82 34.73 3hem h ILE 207 CO 0.01 0.06 0.01 0.50 -0.69 0.00 0.00 178.15 178.05 3hem h LYS 208 N 0.35 0.12 -0.86 2.37 3.11 -1.31 0.37 116.57 120.72 3hem h LYS 208 Ca 0.21 -0.01 0.07 0.00 -2.81 0.00 0.00 60.65 58.10 3hem h LYS 208 Cb 0.18 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.32 3hem h LYS 208 CO -0.20 0.08 0.53 0.35 -2.81 0.00 0.00 179.45 177.40 3hem h PHE 209 N 0.12 0.97 0.03 1.91 3.57 0.78 0.11 116.94 124.43 3hem h PHE 209 Ca 0.20 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3hem h PHE 209 Cb 0.29 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3hem h PHE 209 CO -0.26 0.48 -0.01 0.82 -2.23 0.00 0.00 178.31 177.10 3hem h ILE 210 N 0.95 1.12 0.00 1.41 1.08 0.19 0.46 117.51 122.72 3hem h ILE 210 Ca 0.38 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3hem h ILE 210 Cb 0.20 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 3hem h ILE 210 CO -0.18 0.12 0.00 0.18 -0.69 0.00 0.00 178.15 177.58 3hem n LEU 211 N -5.01 0.00 -0.13 1.44 4.77 0.11 -0.78 117.00 117.41 3hem n LEU 211 Ca -0.08 0.50 -0.25 0.00 -0.03 0.00 0.00 56.01 56.15 3hem n LEU 211 Cb 0.14 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 3hem n LEU 211 CO 0.33 -0.19 -1.23 0.41 -1.33 0.00 0.00 177.39 175.38 3hem n THR 212 N -1.50 1.52 0.09 -5.08 -1.04 0.35 -3.80 114.28 104.82 3hem n THR 212 Ca 0.04 -0.25 0.11 0.00 -2.04 0.00 0.00 64.05 61.91 3hem n THR 212 Cb 0.21 -1.99 -0.13 0.00 -1.82 0.00 0.00 70.33 66.59 3hem n THR 212 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3hem n GLU 213 N -4.31 0.60 0.00 -2.82 -0.58 0.16 -4.75 120.64 108.94 3hem n GLU 213 Ca -0.45 -0.13 -0.01 0.00 -0.42 0.00 0.00 57.16 56.16 3hem n GLU 213 Cb 0.79 -1.57 -0.00 0.00 -0.57 0.00 0.00 31.44 30.09 3hem n GLU 213 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3hem n ILE 214 N -2.27 0.41 -3.54 -3.67 2.08 -0.24 -4.95 119.36 107.18 3hem n ILE 214 Ca -0.03 0.20 -0.27 0.00 0.56 0.00 0.00 62.75 63.21 3hem n ILE 214 Cb 0.55 -1.35 -0.09 0.00 -0.75 0.00 0.00 39.64 38.00 3hem n ILE 214 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 3hem n PHE 215 N -2.90 3.31 -1.66 1.39 3.01 0.05 -4.62 117.46 116.04 3hem n PHE 215 Ca -0.01 -4.16 -0.48 0.00 1.01 0.00 0.00 57.45 53.80 3hem n PHE 215 Cb 0.05 -0.56 -0.05 0.00 -0.01 0.00 0.00 39.48 38.91 3hem n PHE 215 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3hem n PRO 216 N 1.20 1.91 -0.43 -1.08 -0.02 -1.25 -1.88 135.00 133.46 3hem n PRO 216 Ca 0.27 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3hem n PRO 216 Cb 0.40 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3hem n PRO 216 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hem n GLY 217 N 3.52 2.11 3.69 -1.23 0.00 -1.26 -4.84 105.19 107.19 3hem n GLY 217 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3hem n GLY 217 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hem n GLY 218 N -2.00 0.46 2.76 -0.02 0.00 -0.78 -4.49 105.19 101.12 3hem n GLY 218 Ca 0.00 0.22 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 3hem n GLY 218 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hem s ARG 219 N -2.09 0.31 -0.13 1.61 0.52 -0.44 -5.05 118.95 113.68 3hem s ARG 219 Ca 0.60 0.17 -0.17 0.00 -0.52 0.00 0.00 55.73 55.80 3hem s ARG 219 Cb -0.53 -0.66 -0.04 0.00 0.52 0.00 0.00 34.95 34.23 3hem s ARG 219 CO 0.59 -0.24 0.43 -0.51 0.02 0.00 0.00 175.30 175.59 3hem s LEU 220 N 1.66 4.27 0.52 2.53 1.43 -1.26 -4.48 118.68 123.35 3hem s LEU 220 Ca -0.01 0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 53.75 3hem s LEU 220 Cb -0.13 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 3hem s LEU 220 CO -0.03 0.03 0.88 -2.84 0.23 0.00 0.00 176.35 174.62 3hem s PRO 221 N 0.56 3.64 -0.04 1.29 0.02 -1.26 -4.73 135.00 134.48 3hem s PRO 221 Ca 0.24 0.50 -0.04 0.00 0.02 0.00 0.00 61.00 61.73 3hem s PRO 221 Cb -0.15 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 32.08 3hem s PRO 221 CO 0.09 -0.30 0.15 1.03 -0.33 0.00 0.00 177.00 177.64 3hem s ARG 222 N -4.66 3.37 0.30 5.54 0.52 -1.26 -1.34 118.95 121.42 3hem s ARG 222 Ca 0.52 -0.29 0.05 0.00 -0.52 0.00 0.00 55.73 55.48 3hem s ARG 222 Cb -0.10 -3.08 0.79 0.00 0.52 0.00 0.00 34.95 33.07 3hem s ARG 222 CO 0.44 0.70 1.67 0.82 0.02 0.00 0.00 175.30 178.95 3hem h ILE 223 N 3.24 0.37 0.00 1.52 2.04 -1.95 0.37 117.51 123.10 3hem h ILE 223 Ca -0.51 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 3hem h ILE 223 Cb 1.20 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3hem h ILE 223 CO 0.65 0.06 -0.06 0.77 0.00 0.00 0.00 178.15 179.57 3hem h SER 224 N 0.31 0.00 -0.12 1.72 4.64 -1.94 -0.70 113.55 117.45 3hem h SER 224 Ca 0.59 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.85 3hem h SER 224 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3hem h SER 224 CO -0.60 0.06 -0.16 1.56 -0.87 0.00 0.00 176.83 176.82 3hem h GLN 225 N 0.00 0.32 -0.67 4.77 4.20 -0.65 -0.55 115.11 122.52 3hem h GLN 225 Ca -0.00 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.54 3hem h GLN 225 Cb 0.15 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 3hem h GLN 225 CO 0.01 0.75 0.44 0.28 -0.67 0.00 0.00 178.83 179.64 3hem h VAL 226 N -0.08 1.15 0.46 -0.54 2.07 -1.13 -2.05 116.25 116.13 3hem h VAL 226 Ca 0.01 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3hem h VAL 226 Cb 0.71 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3hem h VAL 226 CO 0.04 0.16 -0.49 0.44 0.02 0.00 0.00 177.57 177.74 3hem h ASP 227 N 0.89 -1.36 -0.12 0.57 3.32 -1.14 -1.61 116.42 116.97 3hem h ASP 227 Ca 0.25 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.46 3hem h ASP 227 Cb -0.08 0.46 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 3hem h ASP 227 CO -0.06 -0.65 -0.25 0.22 -1.72 0.00 0.00 179.24 176.78 3hem h TYR 228 N -0.96 -0.66 -0.05 4.55 3.20 -0.75 -0.33 116.97 121.97 3hem h TYR 228 Ca -0.05 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.67 3hem h TYR 228 Cb 0.85 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 3hem h TYR 228 CO -0.27 -0.33 -0.75 1.88 -1.64 0.00 0.00 178.16 177.05 3hem h TYR 229 N -0.32 0.43 0.15 -3.82 -1.99 -1.44 -1.91 116.97 108.06 3hem h TYR 229 Ca 0.10 -0.20 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 3hem h TYR 229 Cb 0.46 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.13 3hem h TYR 229 CO -0.34 0.95 -0.07 0.66 -0.00 0.00 0.00 178.16 179.36 3hem h SER 230 N 0.20 -0.17 0.18 3.88 4.64 -0.92 -2.99 113.55 118.37 3hem h SER 230 Ca -0.03 -0.27 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 3hem h SER 230 Cb 1.33 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 3hem h SER 230 CO 0.12 0.20 -0.22 0.77 -0.87 0.00 0.00 176.83 176.83 3hem h SER 231 N -0.56 0.07 0.02 4.97 4.64 -1.11 0.07 113.55 121.65 3hem h SER 231 Ca -0.02 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hem h SER 231 Cb 0.43 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3hem h SER 231 CO 0.03 0.30 -0.01 -1.13 -0.87 0.00 0.00 176.83 175.16 3hem h ASN 232 N 0.07 0.00 0.70 4.97 -0.73 -1.24 -1.63 115.58 117.71 3hem h ASN 232 Ca 0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 3hem h ASN 232 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.03 3hem h ASN 232 CO 0.03 0.01 -1.15 0.00 -0.37 0.00 0.00 177.43 175.95 3hem n ALA 233 N -2.28 2.79 0.00 1.57 0.00 -0.05 -4.95 120.51 117.59 3hem n ALA 233 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3hem n ALA 233 Cb 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3hem n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hem n GLY 234 N 1.25 1.14 3.83 0.00 0.00 -0.61 -4.88 105.19 105.91 3hem n GLY 234 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3hem n GLY 234 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hem s TRP 235 N -2.00 3.36 0.03 1.61 0.52 -0.85 -4.71 118.94 116.90 3hem s TRP 235 Ca 0.00 1.47 0.06 0.00 0.02 0.00 0.00 56.10 57.65 3hem s TRP 235 Cb 0.00 -2.83 -0.02 0.00 -1.15 0.00 0.00 33.47 29.46 3hem s TRP 235 CO 0.00 -0.54 -0.17 0.15 0.02 0.00 0.00 176.95 176.41 3hem s LYS 236 N -4.11 1.23 -0.49 4.98 1.02 0.59 -3.91 119.74 119.05 3hem s LYS 236 Ca 0.60 -0.78 -0.19 0.00 0.02 0.00 0.00 55.97 55.61 3hem s LYS 236 Cb -0.11 -1.26 0.05 0.00 -0.52 0.00 0.00 37.83 35.98 3hem s LYS 236 CO 0.33 0.33 0.62 0.08 -0.92 0.00 0.00 175.35 175.79 3hem s VAL 237 N -0.70 4.88 -0.10 3.17 1.01 -1.26 -0.11 120.40 127.28 3hem s VAL 237 Ca 0.05 -0.37 0.27 0.00 0.00 0.00 0.00 61.98 61.93 3hem s VAL 237 Cb -0.08 -4.27 0.33 0.00 0.00 0.00 0.00 36.38 32.36 3hem s VAL 237 CO 0.01 -0.75 1.79 -0.08 0.00 0.00 0.00 175.10 176.08 3hem h GLU 238 N 8.96 0.00 -1.93 2.72 4.22 -0.39 -3.45 114.58 124.71 3hem h GLU 238 Ca -0.27 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.16 3hem h GLU 238 Cb 1.10 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.13 3hem h GLU 238 CO 0.94 0.07 0.16 0.50 -2.18 0.00 0.00 179.01 178.50 3hem s ARG 239 N -3.46 0.75 -0.46 1.92 3.52 -1.22 -4.97 118.95 115.03 3hem s ARG 239 Ca 0.03 0.98 -0.11 0.00 -0.13 0.00 0.00 55.73 56.50 3hem s ARG 239 Cb 0.08 0.32 0.09 0.00 -1.56 0.00 0.00 34.95 33.88 3hem s ARG 239 CO 0.62 -0.10 0.34 0.71 -0.81 0.00 0.00 175.30 176.05 3hem s TYR 240 N 0.65 3.33 -0.51 5.12 1.51 -1.26 -1.73 117.35 124.46 3hem s TYR 240 Ca -0.02 -1.47 -0.15 0.00 -1.01 0.00 0.00 57.07 54.42 3hem s TYR 240 Cb -0.05 -3.23 0.11 0.00 -0.11 0.00 0.00 41.96 38.67 3hem s TYR 240 CO -0.05 -0.89 0.45 -1.58 -1.11 0.00 0.00 175.55 172.36 3hem s HIS 241 N 1.47 3.26 -0.18 2.71 2.46 -0.70 -4.93 115.29 119.39 3hem s HIS 241 Ca 0.04 -1.18 -0.24 0.00 0.47 0.00 0.00 55.06 54.15 3hem s HIS 241 Cb -0.25 -3.52 -0.02 0.00 -0.13 0.00 0.00 32.58 28.66 3hem s HIS 241 CO 0.02 -0.93 0.76 1.03 -2.47 0.00 0.00 174.74 173.16 3hem s ARG 242 N 1.60 4.27 0.00 2.88 0.52 -1.26 -0.67 118.95 126.29 3hem s ARG 242 Ca 0.04 0.88 0.13 0.00 -0.52 0.00 0.00 55.73 56.26 3hem s ARG 242 Cb -0.27 -3.58 0.21 0.00 0.52 0.00 0.00 34.95 31.83 3hem s ARG 242 CO 0.04 -0.30 1.06 0.44 0.02 0.00 0.00 175.30 176.56 3hem n ILE 243 N 4.72 0.00 0.34 1.52 -5.35 0.16 -4.91 119.36 115.84 3hem n ILE 243 Ca 0.03 -0.50 0.14 0.00 -0.27 0.00 0.00 62.75 62.15 3hem n ILE 243 Cb 0.49 0.72 0.60 0.00 -1.74 0.00 0.00 39.64 39.71 3hem n ILE 243 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3hem h GLY 244 N 0.50 0.00 2.00 3.28 0.00 -1.87 -2.79 103.07 104.20 3hem h GLY 244 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3hem h GLY 244 CO 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.50 3hem h ALA 245 N 2.14 1.12 0.00 3.60 0.00 -1.91 -2.21 119.26 122.01 3hem h ALA 245 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hem h ALA 245 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hem h ALA 245 CO 0.00 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.43 3hem n ASN 246 N -3.35 0.32 0.16 0.00 3.02 -1.05 -3.06 115.26 111.30 3hem n ASN 246 Ca -0.01 0.57 0.13 0.00 -0.03 0.00 0.00 54.58 55.24 3hem n ASN 246 Cb 0.24 -0.64 0.36 0.00 -0.61 0.00 0.00 39.78 39.13 3hem n ASN 246 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3hem h TYR 247 N 0.00 0.00 0.29 3.10 5.03 -1.61 -2.74 116.97 121.04 3hem h TYR 247 Ca 0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 3hem h TYR 247 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.64 3hem h TYR 247 CO 0.00 0.00 -0.14 0.28 -1.32 0.00 0.00 178.16 176.98 3hem h VAL 248 N 0.00 0.62 -0.27 1.81 2.07 -1.74 0.30 116.25 119.05 3hem h VAL 248 Ca 0.00 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 66.79 3hem h VAL 248 Cb 0.76 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 3hem h VAL 248 CO 0.00 0.13 -0.05 -0.65 0.02 0.00 0.00 177.57 177.02 3hem h PRO 249 N -0.87 0.02 -0.07 1.57 0.11 -1.77 0.41 132.00 131.40 3hem h PRO 249 Ca -0.04 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.10 3hem h PRO 249 Cb 0.52 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.56 3hem h PRO 249 CO 0.07 0.01 -0.53 1.15 -0.21 0.00 0.00 178.00 178.48 3hem h THR 250 N 0.02 0.01 -0.13 -1.15 2.02 -1.51 -0.00 112.91 112.18 3hem h THR 250 Ca 0.13 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.24 3hem h THR 250 Cb 0.19 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3hem h THR 250 CO -0.26 0.00 -0.25 -0.07 0.37 0.00 0.00 175.52 175.31 3hem h LEU 251 N -0.62 0.22 -0.27 2.58 3.38 -0.02 -0.86 115.31 119.72 3hem h LEU 251 Ca 0.03 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3hem h LEU 251 Cb 0.70 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3hem h LEU 251 CO -0.40 0.48 -0.33 0.78 0.09 0.00 0.00 178.44 179.06 3hem h ASN 252 N 0.21 0.76 -0.29 -0.43 2.35 -0.71 -0.80 115.58 116.66 3hem h ASN 252 Ca 0.03 -0.49 0.06 0.00 -0.55 0.00 0.00 56.30 55.35 3hem h ASN 252 Cb 0.56 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.65 3hem h ASN 252 CO 0.04 1.10 -0.12 0.00 -1.65 0.00 0.00 177.43 176.80 3hem h ALA 253 N 0.68 0.13 -0.26 -0.83 0.00 -0.36 0.33 119.26 118.95 3hem h ALA 253 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hem h ALA 253 Cb 0.91 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3hem h ALA 253 CO 0.08 -0.51 0.17 -1.49 0.00 0.00 0.00 179.25 177.50 3hem h TRP 254 N -0.07 0.33 -0.08 0.00 6.55 -1.05 -0.44 115.95 121.19 3hem h TRP 254 Ca 0.15 0.01 0.01 0.00 0.95 0.00 0.00 58.89 60.00 3hem h TRP 254 Cb 0.29 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 28.47 3hem h TRP 254 CO -0.32 0.21 0.04 0.00 -1.05 0.00 0.00 178.44 177.32 3hem h ALA 255 N 1.09 0.10 -0.08 1.49 0.00 -0.64 -0.56 119.26 120.66 3hem h ALA 255 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3hem h ALA 255 Cb -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hem h ALA 255 CO -0.02 -0.43 -0.10 -0.44 0.00 0.00 0.00 179.25 178.27 3hem h ASP 256 N 0.09 -0.30 -0.63 0.00 3.32 -0.17 -0.35 116.42 118.37 3hem h ASP 256 Ca 0.03 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.19 3hem h ASP 256 Cb 0.01 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 3hem h ASP 256 CO -0.03 -0.13 0.36 0.00 -1.72 0.00 0.00 179.24 177.72 3hem h ALA 257 N 0.93 0.84 -0.58 3.45 0.00 -0.86 0.20 119.26 123.23 3hem h ALA 257 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hem h ALA 257 Cb 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hem h ALA 257 CO -0.16 0.05 0.36 1.25 0.00 0.00 0.00 179.25 180.75 3hem h LEU 258 N 0.67 0.69 -0.01 0.00 5.85 -0.70 -1.04 115.31 120.78 3hem h LEU 258 Ca 0.28 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3hem h LEU 258 Cb 0.14 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3hem h LEU 258 CO -0.16 0.53 0.01 -0.61 -0.34 0.00 0.00 178.44 177.87 3hem h GLN 259 N 0.79 0.01 -0.97 1.25 4.15 -0.37 -1.19 115.11 118.78 3hem h GLN 259 Ca 0.21 -0.00 0.28 0.00 0.77 0.00 0.00 58.65 59.91 3hem h GLN 259 Cb -0.04 -0.00 -0.14 0.00 0.21 0.00 0.00 27.48 27.51 3hem h GLN 259 CO -0.04 0.09 0.51 0.00 -1.93 0.00 0.00 178.83 177.46 3hem h ALA 260 N 0.92 1.75 -0.64 3.38 0.00 -0.32 0.30 119.26 124.66 3hem h ALA 260 Ca 0.00 0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3hem h ALA 260 Cb 0.08 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3hem h ALA 260 CO -0.00 -0.46 0.19 0.72 0.00 0.00 0.00 179.25 179.71 3hem n HIS 261 N -5.04 2.16 -0.32 0.00 8.25 -0.42 -4.68 115.22 115.17 3hem n HIS 261 Ca 0.28 -1.00 0.20 0.00 -0.26 0.00 0.00 57.72 56.94 3hem n HIS 261 Cb 0.84 -0.60 0.41 0.00 1.12 0.00 0.00 29.99 31.76 3hem n HIS 261 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3hem h LYS 262 N 2.68 0.29 0.12 -0.41 3.64 0.78 0.75 116.57 124.41 3hem h LYS 262 Ca 0.19 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.28 3hem h LYS 262 Cb 2.11 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.87 3hem h LYS 262 CO 0.62 0.19 -1.21 -0.44 -2.27 0.00 0.00 179.45 176.34 3hem h ASP 263 N 0.30 0.53 -0.44 4.20 3.45 -1.83 0.15 116.42 122.78 3hem h ASP 263 Ca 0.67 -0.53 -0.03 0.00 0.43 0.00 0.00 57.03 57.57 3hem h ASP 263 Cb 1.46 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 40.04 3hem h ASP 263 CO -0.62 1.39 0.18 -0.08 -1.57 0.00 0.00 179.24 178.53 3hem h GLU 264 N 0.13 0.67 -0.34 3.56 4.81 -1.62 -1.91 114.58 119.87 3hem h GLU 264 Ca -0.14 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 58.83 3hem h GLU 264 Cb 1.91 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.18 3hem h GLU 264 CO 0.21 0.61 -0.32 0.00 -0.73 0.00 0.00 179.01 178.78 3hem h ALA 265 N 1.02 0.49 -0.46 2.92 0.00 -0.79 0.70 119.26 123.15 3hem h ALA 265 Ca 0.15 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3hem h ALA 265 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hem h ALA 265 CO -0.01 0.53 -0.13 0.82 0.00 0.00 0.00 179.25 180.47 3hem h ILE 266 N 0.59 1.26 -0.80 0.00 2.04 -1.00 -1.74 117.51 117.86 3hem h ILE 266 Ca 0.06 -1.23 0.02 0.00 1.00 0.00 0.00 64.86 64.71 3hem h ILE 266 Cb 0.89 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 3hem h ILE 266 CO 0.08 0.42 0.53 0.00 0.00 0.00 0.00 178.15 179.18 3hem h ALA 267 N 1.09 1.03 0.06 1.87 0.00 -1.02 -2.35 119.26 119.95 3hem h ALA 267 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hem h ALA 267 Cb 0.64 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hem h ALA 267 CO 0.04 0.40 -0.03 1.25 0.00 0.00 0.00 179.25 180.91 3hem h LEU 268 N 1.06 -0.07 -1.90 0.00 6.46 -0.39 -3.41 115.31 117.06 3hem h LEU 268 Ca 0.30 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 3hem h LEU 268 Cb -0.08 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3hem h LEU 268 CO -0.08 0.03 0.00 0.29 -0.62 0.00 0.00 178.44 178.06 3hem n LYS 269 N -2.67 1.16 0.00 1.25 4.76 -0.70 -5.09 118.16 116.87 3hem n LYS 269 Ca -0.01 -1.33 0.00 0.00 -2.87 0.00 0.00 58.31 54.10 3hem n LYS 269 Cb 0.03 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 3hem n LYS 269 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hem n GLY 270 N 0.40 2.38 0.26 0.72 0.00 -0.88 -4.60 105.19 103.48 3hem n GLY 270 Ca 0.06 -2.02 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 3hem n GLY 270 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hem h GLN 271 N 0.00 -0.58 -0.75 1.61 5.75 -1.89 -3.10 115.11 116.15 3hem h GLN 271 Ca 0.00 0.04 0.13 0.00 -0.15 0.00 0.00 58.65 58.67 3hem h GLN 271 Cb 0.00 0.13 -0.09 0.00 1.07 0.00 0.00 27.48 28.59 3hem h GLN 271 CO 0.00 -0.32 0.31 1.49 -2.65 0.00 0.00 178.83 177.67 3hem h GLU 272 N -0.75 0.46 -0.35 1.69 4.81 -1.97 -1.60 114.58 116.87 3hem h GLU 272 Ca -0.06 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 3hem h GLU 272 Cb 0.54 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3hem h GLU 272 CO 0.10 0.31 0.02 1.15 -0.73 0.00 0.00 179.01 179.86 3hem h THR 273 N 0.48 1.19 -0.44 0.32 2.02 -1.80 0.39 112.91 115.08 3hem h THR 273 Ca 0.40 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3hem h THR 273 Cb 0.57 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3hem h THR 273 CO -0.37 0.26 0.27 0.00 0.37 0.00 0.00 175.52 176.05 3hem h ASP 275 N 0.58 -0.13 -0.24 0.00 3.32 -0.92 0.90 116.42 119.94 3hem h ASP 275 Ca 0.16 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 57.12 3hem h ASP 275 Cb -0.03 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 3hem h ASP 275 CO -0.03 0.06 -0.07 0.40 -1.72 0.00 0.00 179.24 177.88 3hem h ILE 276 N -0.32 0.74 -0.01 0.35 2.04 -0.13 0.15 117.51 120.32 3hem h ILE 276 Ca -0.02 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.63 3hem h ILE 276 Cb 0.26 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3hem h ILE 276 CO 0.03 0.00 -0.88 1.88 0.00 0.00 0.00 178.15 179.17 3hem h TYR 277 N -0.01 0.52 0.19 1.37 -1.99 -0.96 0.22 116.97 116.31 3hem h TYR 277 Ca 0.12 -0.27 -0.01 0.00 2.00 0.00 0.00 58.73 60.56 3hem h TYR 277 Cb 0.19 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.86 3hem h TYR 277 CO -0.25 1.08 -0.09 0.52 -0.00 0.00 0.00 178.16 179.42 3hem h MET 278 N 0.21 -0.24 -0.35 4.88 2.86 -0.70 0.17 114.93 121.76 3hem h MET 278 Ca -0.06 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 3hem h MET 278 Cb 1.50 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 33.16 3hem h MET 278 CO 0.15 -0.16 -0.02 1.25 1.06 0.00 0.00 176.91 179.19 3hem h HIS 279 N -0.26 -0.07 -0.06 -0.22 -0.00 -0.83 0.57 115.15 114.29 3hem h HIS 279 Ca -0.03 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 3hem h HIS 279 Cb 0.20 0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 27.64 3hem h HIS 279 CO -0.06 -0.09 -0.28 -0.92 -0.00 0.00 0.00 177.93 176.58 3hem h TYR 280 N 0.07 -0.76 -0.01 5.26 3.20 -0.39 -1.20 116.97 123.14 3hem h TYR 280 Ca 0.17 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3hem h TYR 280 Cb 0.25 0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 3hem h TYR 280 CO -0.27 -0.37 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.81 3hem h LEU 281 N -0.39 0.03 -0.22 2.82 3.38 -0.22 -0.84 115.31 119.87 3hem h LEU 281 Ca 0.08 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.68 3hem h LEU 281 Cb 0.51 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 3hem h LEU 281 CO -0.28 0.44 -0.07 0.03 0.09 0.00 0.00 178.44 178.64 3hem h ARG 282 N -0.38 -0.03 -0.11 1.13 2.47 -0.96 -2.71 114.38 113.78 3hem h ARG 282 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3hem h ARG 282 Cb 0.43 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 3hem h ARG 282 CO 0.00 -0.02 0.08 0.78 0.56 0.00 0.00 179.97 181.37 3hem h GLY 283 N -0.03 0.16 1.57 0.04 0.00 -1.10 -2.80 103.07 100.91 3hem h GLY 283 Ca 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 3hem h GLY 283 CO -0.25 0.06 0.16 0.00 0.00 0.00 0.00 176.54 176.51 3hem h SER 285 N 0.56 -0.25 -0.44 0.00 0.87 -1.20 -1.45 113.55 111.63 3hem h SER 285 Ca 0.14 0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 3hem h SER 285 Cb 0.11 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3hem h SER 285 CO -0.01 -0.11 0.07 0.44 -0.53 0.00 0.00 176.83 176.69 3hem h ASP 286 N 0.13 0.75 -0.79 6.23 3.32 -1.44 -0.58 116.42 124.05 3hem h ASP 286 Ca 0.34 -0.15 0.15 0.00 0.02 0.00 0.00 57.03 57.39 3hem h ASP 286 Cb 0.56 -0.20 -0.10 0.00 0.22 0.00 0.00 39.33 39.82 3hem h ASP 286 CO -0.54 0.77 0.35 -0.07 -1.72 0.00 0.00 179.24 178.03 3hem h LEU 287 N 0.76 0.37 0.08 1.55 3.38 -1.20 0.23 115.31 120.49 3hem h LEU 287 Ca 0.16 0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.97 3hem h LEU 287 Cb 0.35 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hem h LEU 287 CO 0.01 0.14 -1.28 -0.26 0.09 0.00 0.00 178.44 177.14 3hem h PHE 288 N 0.51 0.32 -0.71 1.13 -1.00 -1.28 -0.33 116.94 115.58 3hem h PHE 288 Ca 0.44 -0.24 0.08 0.00 2.81 0.00 0.00 57.97 61.06 3hem h PHE 288 Cb 0.65 -0.01 -0.07 0.00 3.61 0.00 0.00 35.95 40.13 3hem h PHE 288 CO -0.14 1.21 0.37 -0.09 -1.61 0.00 0.00 178.31 178.06 3hem h ARG 289 N 0.05 0.63 -0.03 1.51 2.43 -0.25 -2.16 114.38 116.56 3hem h ARG 289 Ca -0.14 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3hem h ARG 289 Cb 1.93 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 3hem h ARG 289 CO 0.17 0.42 0.00 -0.25 -1.51 0.00 0.00 179.97 178.80 3hem n ASP 290 N -4.82 0.79 -1.22 -3.80 8.00 0.73 -4.88 116.55 111.34 3hem n ASP 290 Ca 0.11 -1.34 -0.16 0.00 0.71 0.00 0.00 54.79 54.10 3hem n ASP 290 Cb 0.24 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 3hem n ASP 290 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hem n LYS 291 N -0.35 -1.17 -0.14 -1.24 5.02 -0.81 -4.85 118.16 114.61 3hem n LYS 291 Ca 0.20 1.06 -0.12 0.00 -2.02 0.00 0.00 58.31 57.43 3hem n LYS 291 Cb 0.23 -5.26 -0.01 0.00 -0.02 0.00 0.00 35.03 29.96 3hem n LYS 291 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3hem h TYR 292 N 0.00 1.06 -2.06 2.13 3.20 -1.32 -3.45 116.97 116.53 3hem h TYR 292 Ca -0.33 -0.27 -0.60 0.00 3.14 0.00 0.00 58.73 60.67 3hem h TYR 292 Cb 1.07 -0.24 -0.13 0.00 1.54 0.00 0.00 36.73 38.97 3hem h TYR 292 CO 0.47 1.07 -0.70 0.95 -1.64 0.00 0.00 178.16 178.31 3hem s THR 293 N -4.62 2.52 0.27 1.81 -4.23 -1.04 -4.35 115.64 106.01 3hem s THR 293 Ca -0.12 -2.21 0.03 0.00 -1.18 0.00 0.00 61.69 58.21 3hem s THR 293 Cb 0.11 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 3hem s THR 293 CO 0.86 -0.29 0.18 -0.62 -0.54 0.00 0.00 174.62 174.20 3hem s ASP 294 N -3.60 1.05 -0.06 3.99 -1.08 -0.26 -4.51 116.67 112.20 3hem s ASP 294 Ca 0.32 -1.54 0.04 0.00 -0.52 0.00 0.00 52.55 50.85 3hem s ASP 294 Cb -0.02 0.42 -0.00 0.00 -1.46 0.00 0.00 42.92 41.86 3hem s ASP 294 CO 0.17 -0.91 -0.19 -0.69 0.52 0.00 0.00 175.17 174.07 3hem s VAL 295 N -3.77 1.60 0.01 1.11 1.01 -1.26 0.19 120.40 119.30 3hem s VAL 295 Ca 0.38 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.61 3hem s VAL 295 Cb 0.05 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3hem s VAL 295 CO 0.18 0.46 -0.12 0.00 0.00 0.00 0.00 175.10 175.61 3hem s GLN 297 N -0.71 2.34 -0.17 0.00 -0.21 0.16 -1.85 119.66 119.22 3hem s GLN 297 Ca 0.03 -1.38 -0.21 0.00 0.02 0.00 0.00 55.36 53.82 3hem s GLN 297 Cb -0.06 -3.28 -0.03 0.00 1.00 0.00 0.00 33.01 30.64 3hem s GLN 297 CO 0.00 -0.71 0.63 -0.06 -2.12 0.00 0.00 175.29 173.03 3hem s PHE 298 N 1.24 3.41 -0.37 0.91 0.08 0.71 -1.71 117.98 122.25 3hem s PHE 298 Ca -0.02 0.97 -0.20 0.00 0.12 0.00 0.00 56.93 57.80 3hem s PHE 298 Cb -0.20 -2.78 0.01 0.00 -0.57 0.00 0.00 43.02 39.47 3hem s PHE 298 CO -0.01 -0.11 0.60 0.99 -0.10 0.00 0.00 175.22 176.58 3hem s THR 299 N 1.67 4.92 -0.13 0.64 2.01 -0.71 -1.01 115.64 123.03 3hem s THR 299 Ca 0.30 0.40 -0.03 0.00 0.31 0.00 0.00 61.69 62.66 3hem s THR 299 Cb -0.16 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 3hem s THR 299 CO 0.11 -0.34 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.93 3hem s LEU 300 N 2.62 3.42 0.32 4.42 1.43 0.67 0.42 118.68 131.99 3hem s LEU 300 Ca 0.22 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3hem s LEU 300 Cb -0.15 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3hem s LEU 300 CO 0.15 0.25 0.23 0.68 0.23 0.00 0.00 176.35 177.88 3hem s VAL 301 N -0.09 0.10 -0.79 -1.59 -7.23 0.84 -0.95 120.40 110.70 3hem s VAL 301 Ca 0.03 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.26 3hem s VAL 301 Cb -0.13 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.38 3hem s VAL 301 CO 0.02 0.00 0.70 0.29 -0.31 0.00 0.00 175.10 175.80