#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hle n GLU 24 N 0.00 -0.07 -0.03 0.03 -0.00 -1.26 -1.00 120.64 118.31 1hle n GLU 24 Ca 0.00 0.51 -0.17 0.00 -0.00 0.00 0.00 57.16 57.49 1hle n GLU 24 Cb 0.00 -0.75 -0.07 0.00 -0.00 0.00 0.00 31.44 30.62 1hle n GLU 24 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1hle h GLN 25 N 0.00 0.79 -0.44 3.44 4.20 -1.99 -2.94 115.11 118.16 1hle h GLN 25 Ca 0.03 -0.63 -0.11 0.00 0.06 0.00 0.00 58.65 58.00 1hle h GLN 25 Cb 0.07 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1hle h GLN 25 CO -0.16 1.24 -0.15 1.25 -0.67 0.00 0.00 178.83 180.34 1hle h LEU 26 N 0.52 0.84 -0.43 1.46 5.85 -1.85 -2.21 115.31 119.50 1hle h LEU 26 Ca -0.05 -0.28 -0.18 0.00 0.84 0.00 0.00 57.88 58.21 1hle h LEU 26 Cb 1.38 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1hle h LEU 26 CO 0.16 1.00 -0.73 0.77 -0.34 0.00 0.00 178.44 179.29 1hle h SER 27 N 0.75 0.41 -0.38 1.25 4.64 -1.09 -0.34 113.55 118.78 1hle h SER 27 Ca 0.12 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1hle h SER 27 Cb 0.67 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1hle h SER 27 CO 0.05 1.00 0.22 0.74 -0.87 0.00 0.00 176.83 177.97 1hle h THR 28 N 0.23 1.13 0.33 2.95 2.02 -1.44 0.20 112.91 118.33 1hle h THR 28 Ca -0.03 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1hle h THR 28 Cb 1.30 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1hle h THR 28 CO 0.12 0.14 -0.16 0.00 0.37 0.00 0.00 175.52 175.98 1hle h ALA 29 N 1.09 -0.45 -0.59 6.16 0.00 -1.14 -0.12 119.26 124.20 1hle h ALA 29 Ca 0.14 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1hle h ALA 29 Cb 0.03 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1hle h ALA 29 CO -0.02 -0.75 0.39 -0.91 0.00 0.00 0.00 179.25 177.96 1hle h ASN 30 N -0.45 0.65 0.18 0.00 2.35 -0.94 -1.21 115.58 116.17 1hle h ASN 30 Ca -0.04 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.46 1hle h ASN 30 Cb 0.35 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.57 1hle h ASN 30 CO 0.07 0.46 -0.94 0.74 -1.65 0.00 0.00 177.43 176.11 1hle h THR 31 N 0.76 1.35 -0.53 2.81 2.02 -0.75 -0.49 112.91 118.09 1hle h THR 31 Ca 0.23 -2.31 -0.01 0.00 0.77 0.00 0.00 66.41 65.08 1hle h THR 31 Cb -0.03 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1hle h THR 31 CO -0.05 0.70 0.28 -0.74 0.37 0.00 0.00 175.52 176.07 1hle h HIS 32 N 0.32 0.74 -0.40 3.16 6.17 -0.57 -1.21 115.15 123.35 1hle h HIS 32 Ca -0.09 -0.02 -0.03 0.00 0.71 0.00 0.00 60.37 60.94 1hle h HIS 32 Cb 1.58 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 31.26 1hle h HIS 32 CO 0.07 0.56 0.14 0.35 0.71 0.00 0.00 177.93 179.76 1hle h PHE 33 N 0.70 0.63 -0.71 5.26 3.57 -1.20 -1.58 116.94 123.62 1hle h PHE 33 Ca 0.18 -0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.76 1hle h PHE 33 Cb 0.08 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 38.54 1hle h PHE 33 CO -0.01 0.58 0.27 0.00 -2.23 0.00 0.00 178.31 176.91 1hle h ALA 34 N 0.98 0.97 -0.32 2.41 0.00 -0.56 0.12 119.26 122.86 1hle h ALA 34 Ca 0.13 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1hle h ALA 34 Cb 0.23 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1hle h ALA 34 CO -0.01 -0.22 -0.03 0.28 0.00 0.00 0.00 179.25 179.27 1hle h VAL 35 N 0.42 1.27 -0.59 0.00 2.07 -1.08 -0.66 116.25 117.67 1hle h VAL 35 Ca 0.38 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1hle h VAL 35 Cb 0.56 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1hle h VAL 35 CO -0.39 0.33 0.35 0.44 0.02 0.00 0.00 177.57 178.32 1hle h ASP 36 N 0.37 0.71 0.23 0.57 3.32 -0.41 -0.56 116.42 120.65 1hle h ASP 36 Ca 0.09 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 1hle h ASP 36 Cb 0.50 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1hle h ASP 36 CO 0.02 0.57 -0.53 0.25 -1.72 0.00 0.00 179.24 177.84 1hle h LEU 37 N 0.79 0.36 -0.47 1.55 5.85 -0.68 -1.89 115.31 120.82 1hle h LEU 37 Ca 0.21 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1hle h LEU 37 Cb -0.00 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1hle h LEU 37 CO -0.04 0.82 0.02 0.15 -0.34 0.00 0.00 178.44 179.06 1hle h PHE 38 N 0.26 0.89 -0.49 1.25 3.57 -0.75 -1.82 116.94 119.84 1hle h PHE 38 Ca 0.01 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.39 1hle h PHE 38 Cb 1.01 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 1hle h PHE 38 CO 0.03 0.84 0.28 -0.09 -2.23 0.00 0.00 178.31 177.14 1hle h ARG 39 N 0.67 0.54 -0.75 1.11 2.43 -0.92 -0.52 114.38 116.95 1hle h ARG 39 Ca 0.14 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1hle h ARG 39 Cb 0.47 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1hle h ARG 39 CO 0.02 0.36 0.48 0.00 -1.51 0.00 0.00 179.97 179.32 1hle h ALA 40 N 1.23 0.98 -0.22 2.80 0.00 -1.17 -0.82 119.26 122.06 1hle h ALA 40 Ca 0.20 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1hle h ALA 40 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1hle h ALA 40 CO -0.11 0.30 -0.30 -0.07 0.00 0.00 0.00 179.25 179.07 1hle h LEU 41 N 0.95 0.44 -0.83 0.00 3.38 -0.99 -2.84 115.31 115.42 1hle h LEU 41 Ca 0.30 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1hle h LEU 41 Cb -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1hle h LEU 41 CO -0.10 0.73 -0.50 -1.13 0.09 0.00 0.00 178.44 177.53 1hle h ASN 42 N 0.38 0.23 -0.26 -0.43 -1.24 -0.64 -1.32 115.58 112.30 1hle h ASN 42 Ca 0.05 -0.11 -0.06 0.00 0.71 0.00 0.00 56.30 56.89 1hle h ASN 42 Cb 0.72 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 1hle h ASN 42 CO 0.05 0.69 -0.03 -0.33 -1.29 0.00 0.00 177.43 176.53 1hle h GLU 43 N 0.17 0.60 0.00 6.67 5.08 -0.93 -2.69 114.58 123.48 1hle h GLU 43 Ca 0.01 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1hle h GLU 43 Cb 0.94 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1hle h GLU 43 CO 0.08 0.65 -0.52 0.66 -1.00 0.00 0.00 179.01 178.87 1hle h SER 44 N 0.57 0.00 -1.89 1.42 4.64 -1.27 -3.42 113.55 113.60 1hle h SER 44 Ca 0.12 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.08 1hle h SER 44 Cb 0.40 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.19 1hle h SER 44 CO 0.02 0.38 -0.67 -0.62 -0.87 0.00 0.00 176.83 175.07 1hle s ASP 45 N -6.29 0.99 0.00 4.97 -1.08 -0.53 -5.02 116.67 109.72 1hle s ASP 45 Ca 0.04 -1.57 0.30 0.00 -0.52 0.00 0.00 52.55 50.80 1hle s ASP 45 Cb 0.07 0.64 1.69 0.00 -1.46 0.00 0.00 42.92 43.86 1hle s ASP 45 CO 0.74 -0.25 2.09 -0.81 0.52 0.00 0.00 175.17 177.46 1hle n PRO 46 N 4.22 0.76 0.00 4.34 -0.04 -1.03 -4.06 135.00 139.19 1hle n PRO 46 Ca 0.12 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1hle n PRO 46 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1hle n PRO 46 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1hle n THR 47 N -1.10 0.00 -1.78 0.52 -2.24 -1.26 -4.89 114.28 103.53 1hle n THR 47 Ca 0.20 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.67 1hle n THR 47 Cb 0.15 0.22 0.16 0.00 -2.10 0.00 0.00 70.33 68.75 1hle n THR 47 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1hle s GLY 48 N -0.70 1.68 0.39 3.38 0.00 -1.26 -5.01 107.32 105.80 1hle s GLY 48 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 44.72 43.54 1hle s GLY 48 CO 0.00 -0.25 1.29 -1.31 0.00 0.00 0.00 173.10 172.83 1hle s ASN 49 N -4.57 6.44 -0.04 1.64 0.01 -1.26 -5.04 114.94 112.12 1hle s ASN 49 Ca 0.69 2.63 0.03 0.00 -0.71 0.00 0.00 52.86 55.49 1hle s ASN 49 Cb -0.08 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1hle s ASN 49 CO 0.52 -0.76 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.60 1hle s ILE 50 N -1.25 1.11 -0.16 0.60 1.01 -1.26 -5.11 121.20 116.15 1hle s ILE 50 Ca 0.55 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 1hle s ILE 50 Cb -0.38 -0.98 0.08 0.00 0.01 0.00 0.00 42.46 41.19 1hle s ILE 50 CO 0.49 0.34 0.29 0.12 0.00 0.00 0.00 174.94 176.17 1hle s PHE 51 N 0.26 -0.49 0.11 3.97 5.36 -1.26 -5.15 117.98 120.78 1hle s PHE 51 Ca -0.06 0.91 0.03 0.00 -0.96 0.00 0.00 56.93 56.84 1hle s PHE 51 Cb -0.12 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.48 1hle s PHE 51 CO 0.02 -0.45 -0.07 0.96 -1.46 0.00 0.00 175.22 174.21 1hle s ILE 52 N 2.45 0.83 -0.47 3.12 -4.36 -1.26 -4.70 121.20 116.80 1hle s ILE 52 Ca 0.03 -1.97 -0.11 0.00 -0.26 0.00 0.00 60.65 58.33 1hle s ILE 52 Cb -0.13 -1.74 0.11 0.00 1.25 0.00 0.00 42.46 41.94 1hle s ILE 52 CO -0.10 -0.83 0.36 -0.55 0.24 0.00 0.00 174.94 174.06 1hle s SER 53 N -3.08 5.85 0.25 4.36 0.15 -1.26 -4.97 113.70 114.99 1hle s SER 53 Ca 0.14 -1.72 -0.04 0.00 0.70 0.00 0.00 55.95 55.02 1hle s SER 53 Cb 0.04 -2.07 0.37 0.00 -1.71 0.00 0.00 66.02 62.66 1hle s SER 53 CO -0.03 -0.69 1.85 -0.65 1.20 0.00 0.00 173.24 174.93 1hle h PRO 54 N 8.57 0.97 -0.76 5.44 0.11 -1.96 -2.60 132.00 141.77 1hle h PRO 54 Ca -0.24 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 1hle h PRO 54 Cb 1.09 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 1hle h PRO 54 CO 0.88 0.64 0.32 1.25 -0.21 0.00 0.00 178.00 180.88 1hle h LEU 55 N 1.00 1.03 -0.48 2.35 5.85 -1.93 0.65 115.31 123.78 1hle h LEU 55 Ca 0.40 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1hle h LEU 55 Cb 0.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1hle h LEU 55 CO -0.19 0.91 0.23 -1.28 -0.34 0.00 0.00 178.44 177.77 1hle h SER 56 N 1.09 0.31 -0.19 1.25 0.87 -1.91 -0.61 113.55 114.36 1hle h SER 56 Ca 0.26 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1hle h SER 56 Cb 0.19 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1hle h SER 56 CO -0.02 0.22 -0.05 0.40 -0.53 0.00 0.00 176.83 176.84 1hle h ILE 57 N 0.45 1.29 -0.63 2.23 2.04 -0.95 -2.01 117.51 119.93 1hle h ILE 57 Ca 0.21 -1.04 0.08 0.00 1.00 0.00 0.00 64.86 65.11 1hle h ILE 57 Cb 0.15 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1hle h ILE 57 CO -0.17 0.31 0.42 0.28 0.00 0.00 0.00 178.15 178.99 1hle h SER 58 N 0.08 0.48 -0.21 1.72 0.02 -0.81 -1.51 113.55 113.32 1hle h SER 58 Ca 0.05 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1hle h SER 58 Cb 0.50 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1hle h SER 58 CO 0.02 0.30 -0.16 0.28 -1.14 0.00 0.00 176.83 176.13 1hle h SER 59 N 0.54 0.50 -0.70 3.07 0.02 -0.76 0.97 113.55 117.19 1hle h SER 59 Ca 0.28 -0.45 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1hle h SER 59 Cb 0.39 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1hle h SER 59 CO -0.09 0.85 0.19 0.00 -1.14 0.00 0.00 176.83 176.64 1hle h ALA 60 N 0.67 0.92 -0.01 3.77 0.00 -0.88 -2.24 119.26 121.50 1hle h ALA 60 Ca 0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1hle h ALA 60 Cb 0.69 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1hle h ALA 60 CO 0.04 0.63 -0.58 -0.07 0.00 0.00 0.00 179.25 179.28 1hle h LEU 61 N 1.05 0.02 -0.71 0.00 -0.00 -1.21 -1.75 115.31 112.71 1hle h LEU 61 Ca 0.22 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 58.00 1hle h LEU 61 Cb 0.35 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 1hle h LEU 61 CO -0.00 0.60 0.00 0.00 -0.00 0.00 0.00 178.44 179.04 1hle h ALA 62 N 1.40 0.92 -0.39 1.53 0.00 -0.50 0.12 119.26 122.34 1hle h ALA 62 Ca -0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1hle h ALA 62 Cb 1.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1hle h ALA 62 CO 0.08 0.65 -0.21 0.52 0.00 0.00 0.00 179.25 180.28 1hle h MET 63 N 0.92 0.84 -0.51 0.00 2.86 -1.19 -2.49 114.93 115.36 1hle h MET 63 Ca 0.17 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1hle h MET 63 Cb 0.53 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1hle h MET 63 CO 0.03 1.02 0.30 0.82 1.06 0.00 0.00 176.91 180.14 1hle h ILE 64 N 0.65 1.16 -0.52 -1.22 2.04 -1.16 -2.97 117.51 115.49 1hle h ILE 64 Ca 0.08 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 65.65 1hle h ILE 64 Cb 0.78 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1hle h ILE 64 CO 0.06 0.17 0.35 0.15 0.00 0.00 0.00 178.15 178.88 1hle h PHE 65 N 0.69 0.39 -0.85 1.37 3.57 -0.60 0.07 116.94 121.57 1hle h PHE 65 Ca 0.18 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.86 1hle h PHE 65 Cb 0.00 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 1hle h PHE 65 CO -0.02 0.20 0.56 -0.07 -2.23 0.00 0.00 178.31 176.74 1hle h LEU 66 N 0.37 0.48 -2.07 0.59 3.38 -1.28 -2.58 115.31 114.20 1hle h LEU 66 Ca 0.24 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1hle h LEU 66 Cb 0.44 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1hle h LEU 66 CO -0.06 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.31 1hle n GLY 67 N -1.49 1.26 3.89 0.83 0.00 -0.00 -4.87 105.19 104.81 1hle n GLY 67 Ca 0.17 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1hle n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hle s THR 68 N -1.82 5.02 0.28 2.61 -4.23 -0.97 -0.93 115.64 115.60 1hle s THR 68 Ca 0.32 0.19 0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1hle s THR 68 Cb 0.21 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.34 1hle s THR 68 CO 0.31 -0.16 0.14 -0.13 -0.54 0.00 0.00 174.62 174.24 1hle s ARG 69 N -3.12 1.51 5.09 3.99 1.81 -0.58 -4.69 118.95 122.97 1hle s ARG 69 Ca 0.44 -1.85 0.00 0.00 -1.72 0.00 0.00 55.73 52.61 1hle s ARG 69 Cb -0.11 -0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.28 1hle s ARG 69 CO 0.26 -0.40 0.00 0.41 -0.68 0.00 0.00 175.30 174.88 1hle n GLY 70 N -0.53 1.68 0.13 -3.53 0.00 -1.26 -2.24 105.19 99.45 1hle n GLY 70 Ca 0.01 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.43 1hle n GLY 70 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1hle h ASN 71 N 9.05 0.00 -0.22 1.61 -1.24 -1.94 -2.80 115.58 120.04 1hle h ASN 71 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.06 1hle h ASN 71 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 1hle h ASN 71 CO 0.00 0.40 -0.08 0.74 -1.29 0.00 0.00 177.43 177.20 1hle h THR 72 N 0.00 0.72 -0.64 -3.57 2.02 -1.86 -0.46 112.91 109.12 1hle h THR 72 Ca -0.05 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 1hle h THR 72 Cb 1.35 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1hle h THR 72 CO 0.04 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.06 1hle h ALA 73 N 1.16 1.02 -0.21 6.16 0.00 -1.36 -1.90 119.26 124.14 1hle h ALA 73 Ca 0.11 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1hle h ALA 73 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1hle h ALA 73 CO -0.25 0.63 -0.37 0.00 0.00 0.00 0.00 179.25 179.26 1hle h ALA 74 N 1.16 0.97 -0.07 0.00 0.00 -1.21 -0.23 119.26 119.89 1hle h ALA 74 Ca 0.20 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1hle h ALA 74 Cb 0.38 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1hle h ALA 74 CO 0.01 0.61 -0.07 1.96 0.00 0.00 0.00 179.25 181.76 1hle h GLN 75 N 0.39 0.16 -0.25 0.00 4.20 -0.64 -2.40 115.11 116.57 1hle h GLN 75 Ca 0.04 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.69 1hle h GLN 75 Cb 0.83 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1hle h GLN 75 CO 0.07 0.60 0.09 0.28 -0.67 0.00 0.00 178.83 179.20 1hle h VAL 76 N -0.27 0.95 0.00 -0.54 2.07 -1.18 -1.79 116.25 115.48 1hle h VAL 76 Ca 0.01 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1hle h VAL 76 Cb 0.57 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1hle h VAL 76 CO 0.02 0.04 -0.38 0.77 0.02 0.00 0.00 177.57 178.04 1hle h SER 77 N 0.21 0.00 -0.06 0.57 4.64 -1.06 -0.92 113.55 116.93 1hle h SER 77 Ca 0.11 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1hle h SER 77 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1hle h SER 77 CO -0.10 0.38 -0.10 0.50 -0.87 0.00 0.00 176.83 176.63 1hle h LYS 78 N 0.00 0.18 -0.15 4.77 3.11 -1.13 -0.57 116.57 122.77 1hle h LYS 78 Ca -0.00 -0.11 -0.17 0.00 -2.81 0.00 0.00 60.65 57.56 1hle h LYS 78 Cb 0.70 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 1hle h LYS 78 CO 0.05 0.67 -0.60 0.00 -2.81 0.00 0.00 179.45 176.75 1hle h ALA 79 N 0.51 0.66 -0.01 5.00 0.00 -1.17 -2.65 119.26 121.61 1hle h ALA 79 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1hle h ALA 79 Cb 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1hle h ALA 79 CO 0.02 0.71 -0.12 1.28 0.00 0.00 0.00 179.25 181.14 1hle n LEU 80 N -3.93 0.69 -0.58 0.00 7.99 -0.37 -4.77 117.00 116.04 1hle n LEU 80 Ca -0.04 -0.12 -0.08 0.00 -0.01 0.00 0.00 56.01 55.77 1hle n LEU 80 Cb 0.63 -0.13 -0.03 0.00 -0.11 0.00 0.00 43.42 43.78 1hle n LEU 80 CO 0.47 0.13 -0.07 -1.22 -1.51 0.00 0.00 177.39 175.19 1hle n TYR 81 N -0.74 0.00 0.31 -1.77 4.01 -0.48 -4.64 117.16 113.84 1hle n TYR 81 Ca 0.15 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 58.07 1hle n TYR 81 Cb 0.29 -2.10 0.98 0.00 -0.31 0.00 0.00 39.34 38.21 1hle n TYR 81 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1hle h PHE 82 N 0.00 0.00 0.00 -0.72 0.04 -1.44 0.03 116.94 114.85 1hle h PHE 82 Ca -0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1hle h PHE 82 Cb 0.88 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.03 1hle h PHE 82 CO 0.45 0.02 0.00 -0.40 -0.60 0.00 0.00 178.31 177.79 1hle n ASP 83 N -3.49 0.00 -0.91 2.17 5.75 -1.08 -2.36 116.55 116.64 1hle n ASP 83 Ca -0.03 -0.83 0.11 0.00 -0.01 0.00 0.00 54.79 54.03 1hle n ASP 83 Cb 0.12 -0.04 0.12 0.00 -1.03 0.00 0.00 41.12 40.29 1hle n ASP 83 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1hle n THR 84 N -1.04 0.12 -3.95 2.12 -2.24 -0.00 -4.90 114.28 104.40 1hle n THR 84 Ca 0.21 -0.56 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 1hle n THR 84 Cb 0.12 1.33 -0.14 0.00 -2.10 0.00 0.00 70.33 69.54 1hle n THR 84 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1hle s VAL 85 N -1.69 3.24 0.09 2.28 1.01 -0.99 -4.95 120.40 119.39 1hle s VAL 85 Ca 0.28 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.41 1hle s VAL 85 Cb 0.19 -2.46 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 1hle s VAL 85 CO 0.27 0.44 1.27 -1.61 0.00 0.00 0.00 175.10 175.48 1hle s GLU 90 N 1.43 4.39 -1.10 2.72 2.02 -1.26 -3.55 118.70 123.35 1hle s GLU 90 Ca 0.05 1.90 -0.01 0.00 0.02 0.00 0.00 54.97 56.93 1hle s GLU 90 Cb -0.14 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1hle s GLU 90 CO -0.04 -0.32 0.92 -0.25 0.02 0.00 0.00 175.26 175.59 1hle n ASP 91 N 3.83 -2.76 -0.24 -0.19 8.00 -1.26 -4.81 116.55 119.13 1hle n ASP 91 Ca 0.10 -0.54 0.05 0.00 0.71 0.00 0.00 54.79 55.10 1hle n ASP 91 Cb 0.45 -4.61 0.16 0.00 -0.02 0.00 0.00 41.12 37.09 1hle n ASP 91 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1hle h ILE 92 N -1.83 0.43 0.00 0.53 6.09 -1.89 -0.60 117.51 120.25 1hle h ILE 92 Ca -0.52 -0.06 -0.10 0.00 -1.37 0.00 0.00 64.86 62.81 1hle h ILE 92 Cb 1.31 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 1hle h ILE 92 CO 0.46 0.03 -0.48 0.45 -3.07 0.00 0.00 178.15 175.54 1hle h HIS 93 N 0.16 0.00 -0.09 2.19 3.86 -1.93 -1.40 115.15 117.94 1hle h HIS 93 Ca 0.40 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.42 1hle h HIS 93 Cb 0.69 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 1hle h HIS 93 CO -0.35 0.48 -0.73 0.77 0.86 0.00 0.00 177.93 178.96 1hle h SER 94 N 0.00 0.55 -0.13 2.45 0.02 -1.52 -1.68 113.55 113.24 1hle h SER 94 Ca -0.00 -0.36 -0.12 0.00 -0.84 0.00 0.00 61.79 60.46 1hle h SER 94 Cb 1.16 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1hle h SER 94 CO 0.06 1.11 -0.33 0.03 -1.14 0.00 0.00 176.83 176.56 1hle h ARG 95 N 0.32 0.63 -0.43 3.45 2.47 -0.85 -2.00 114.38 117.97 1hle h ARG 95 Ca -0.03 -0.29 -0.13 0.00 -1.26 0.00 0.00 59.98 58.27 1hle h ARG 95 Cb 1.31 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.61 1hle h ARG 95 CO 0.13 0.88 -0.24 0.74 0.56 0.00 0.00 179.97 182.04 1hle h PHE 96 N 0.54 1.01 -0.43 3.04 0.04 -1.13 -0.64 116.94 119.37 1hle h PHE 96 Ca 0.06 -0.25 0.04 0.00 2.80 0.00 0.00 57.97 60.63 1hle h PHE 96 Cb 0.83 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.70 1hle h PHE 96 CO 0.04 1.03 0.19 0.37 -0.60 0.00 0.00 178.31 179.33 1hle h GLN 97 N 0.76 0.37 -0.48 1.51 4.15 -1.18 0.15 115.11 120.38 1hle h GLN 97 Ca 0.10 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1hle h GLN 97 Cb 0.79 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1hle h GLN 97 CO 0.07 0.24 0.21 0.77 -1.93 0.00 0.00 178.83 178.19 1hle h SER 98 N 0.38 0.65 -0.65 -0.69 0.02 -1.03 -2.44 113.55 109.79 1hle h SER 98 Ca 0.19 -0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1hle h SER 98 Cb 0.14 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1hle h SER 98 CO -0.16 0.62 0.40 0.25 -1.14 0.00 0.00 176.83 176.79 1hle h LEU 99 N 0.64 0.64 -1.10 5.07 5.85 -0.59 -2.07 115.31 123.74 1hle h LEU 99 Ca 0.16 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1hle h LEU 99 Cb 0.15 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1hle h LEU 99 CO -0.02 0.44 0.13 0.78 -0.34 0.00 0.00 178.44 179.44 1hle h ASN 100 N 0.77 0.72 -0.66 1.25 2.35 -0.57 -1.04 115.58 118.40 1hle h ASN 100 Ca 0.27 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 1hle h ASN 100 Cb 0.04 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1hle h ASN 100 CO -0.12 0.70 0.15 0.00 -1.65 0.00 0.00 177.43 176.51 1hle h ALA 101 N 1.40 0.87 -0.05 -0.83 0.00 -1.01 -1.16 119.26 118.47 1hle h ALA 101 Ca 0.17 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1hle h ALA 101 Cb 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1hle h ALA 101 CO -0.00 0.60 -0.21 0.22 0.00 0.00 0.00 179.25 179.85 1hle h ASP 102 N 0.99 0.28 -0.89 0.00 3.58 -0.86 -2.48 116.42 117.03 1hle h ASP 102 Ca 0.20 -0.64 0.05 0.00 0.42 0.00 0.00 57.03 57.06 1hle h ASP 102 Cb 0.38 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.30 1hle h ASP 102 CO 0.01 0.87 0.57 0.40 -2.88 0.00 0.00 179.24 178.21 1hle h ILE 103 N -0.30 1.11 -0.36 2.25 2.04 -1.16 -1.69 117.51 119.40 1hle h ILE 103 Ca -0.01 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1hle h ILE 103 Cb 0.85 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1hle h ILE 103 CO 0.04 0.20 0.00 0.59 0.00 0.00 0.00 178.15 178.98 1hle n ASN 104 N -4.55 2.15 -4.70 1.72 3.02 -0.45 -4.69 115.26 107.76 1hle n ASN 104 Ca 0.12 -2.05 -0.43 0.00 -0.03 0.00 0.00 54.58 52.19 1hle n ASN 104 Cb 0.13 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 1hle n ASN 104 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1hle n LYS 105 N 0.55 2.16 -1.87 3.52 2.85 -0.64 -4.96 118.16 119.78 1hle n LYS 105 Ca 0.13 0.76 -0.32 0.00 -1.05 0.00 0.00 58.31 57.83 1hle n LYS 105 Cb 0.36 -2.37 0.02 0.00 -0.65 0.00 0.00 35.03 32.39 1hle n LYS 105 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1hle s PRO 106 N -1.55 3.32 0.00 -1.58 0.04 -1.26 -4.36 135.00 129.61 1hle s PRO 106 Ca 0.58 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1hle s PRO 106 Cb -0.58 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1hle s PRO 106 CO 0.59 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1hle n GLY 107 N -1.85 0.56 3.86 0.56 0.00 -1.26 -5.05 105.19 102.01 1hle n GLY 107 Ca 0.07 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1hle n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hle s ALA 108 N -2.00 3.23 -1.25 4.61 0.00 -1.26 -4.98 121.76 120.11 1hle s ALA 108 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1hle s ALA 108 Cb 0.00 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.25 1hle s ALA 108 CO 0.00 -0.02 0.64 -0.35 0.00 0.00 0.00 175.76 176.03 1hle n PRO 109 N -1.20 1.03 -4.00 0.00 -0.04 -1.26 -4.80 135.00 124.73 1hle n PRO 109 Ca 0.04 -0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 1hle n PRO 109 Cb 0.54 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.54 1hle n PRO 109 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1hle s TYR 110 N -1.27 0.49 -0.25 0.54 -0.85 -1.26 -4.79 117.35 109.95 1hle s TYR 110 Ca 0.01 -0.85 -0.10 0.00 -0.52 0.00 0.00 57.07 55.60 1hle s TYR 110 Cb 0.00 -0.15 -0.05 0.00 0.38 0.00 0.00 41.96 42.15 1hle s TYR 110 CO 0.00 -0.67 0.16 0.42 -1.52 0.00 0.00 175.55 173.95 1hle s ILE 111 N -3.98 5.28 -0.11 -3.49 -1.09 -0.65 -5.00 121.20 112.17 1hle s ILE 111 Ca 0.18 0.15 -0.04 0.00 -2.23 0.00 0.00 60.65 58.72 1hle s ILE 111 Cb 0.04 -3.48 0.06 0.00 -1.58 0.00 0.00 42.46 37.50 1hle s ILE 111 CO -0.00 0.32 0.21 -0.22 -1.23 0.00 0.00 174.94 174.02 1hle s LEU 112 N 1.30 -0.19 -0.04 2.97 2.96 -1.26 -0.94 118.68 123.48 1hle s LEU 112 Ca 0.07 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1hle s LEU 112 Cb -0.14 0.49 0.01 0.00 0.50 0.00 0.00 46.19 47.06 1hle s LEU 112 CO 0.07 -0.24 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.24 1hle s LYS 113 N 2.35 1.11 -0.19 1.98 1.02 0.03 -4.59 119.74 121.45 1hle s LYS 113 Ca 0.02 -0.24 -0.02 0.00 0.02 0.00 0.00 55.97 55.75 1hle s LYS 113 Cb -0.12 -1.01 0.06 0.00 -0.52 0.00 0.00 37.83 36.24 1hle s LYS 113 CO -0.07 0.00 0.00 -1.17 -0.92 0.00 0.00 175.35 173.19 1hle s LEU 114 N 0.64 1.51 0.06 3.17 2.96 -1.26 -0.56 118.68 125.21 1hle s LEU 114 Ca -0.10 -0.84 0.06 0.00 -0.22 0.00 0.00 54.13 53.03 1hle s LEU 114 Cb -0.13 -0.76 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 1hle s LEU 114 CO 0.01 -0.27 -0.17 0.00 -1.32 0.00 0.00 176.35 174.60 1hle s ALA 115 N 1.73 1.46 0.09 5.97 0.00 -0.04 -4.93 121.76 126.04 1hle s ALA 115 Ca -0.01 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 50.98 1hle s ALA 115 Cb -0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1hle s ALA 115 CO -0.07 0.28 -0.18 -0.80 0.00 0.00 0.00 175.76 174.99 1hle s ASN 116 N -1.50 2.12 -0.02 0.00 0.01 -1.26 -1.03 114.94 113.26 1hle s ASN 116 Ca 0.03 -0.66 -0.26 0.00 -0.71 0.00 0.00 52.86 51.27 1hle s ASN 116 Cb -0.09 -0.10 0.06 0.00 0.41 0.00 0.00 41.25 41.53 1hle s ASN 116 CO 0.02 -0.01 0.57 -0.60 -1.51 0.00 0.00 177.10 175.57 1hle s ARG 117 N -1.84 0.97 -0.10 -0.60 3.52 0.02 -4.02 118.95 116.90 1hle s ARG 117 Ca 0.02 0.06 0.04 0.00 -0.13 0.00 0.00 55.73 55.72 1hle s ARG 117 Cb -0.10 0.45 -0.00 0.00 -1.56 0.00 0.00 34.95 33.74 1hle s ARG 117 CO 0.03 -0.31 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.48 1hle s LEU 118 N -1.38 2.17 -0.19 -0.88 1.02 -0.59 -0.63 118.68 118.20 1hle s LEU 118 Ca -0.10 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 53.52 1hle s LEU 118 Cb -0.01 -1.43 0.02 0.00 0.02 0.00 0.00 46.19 44.78 1hle s LEU 118 CO 0.06 0.17 -0.18 -0.31 0.02 0.00 0.00 176.35 176.12 1hle s TYR 119 N 0.30 2.81 0.10 0.29 2.02 -0.36 -0.06 117.35 122.44 1hle s TYR 119 Ca -0.17 -1.53 0.10 0.00 -0.37 0.00 0.00 57.07 55.10 1hle s TYR 119 Cb -0.17 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1hle s TYR 119 CO 0.08 -0.76 -0.25 0.20 -1.57 0.00 0.00 175.55 173.24 1hle s GLY 120 N 1.31 1.45 0.18 0.71 0.00 0.19 -0.67 107.32 110.49 1hle s GLY 120 Ca 0.05 -1.35 -0.32 0.00 0.00 0.00 0.00 44.72 43.10 1hle s GLY 120 CO -0.11 -1.31 1.68 1.85 0.00 0.00 0.00 173.10 175.21 1hle s GLU 121 N -1.76 4.15 0.31 2.90 2.56 0.67 -0.73 118.70 126.81 1hle s GLU 121 Ca 0.12 2.53 0.05 0.00 0.00 0.00 0.00 54.97 57.66 1hle s GLU 121 Cb -0.10 -3.15 0.84 0.00 2.00 0.00 0.00 34.13 33.71 1hle s GLU 121 CO 0.04 -0.72 1.58 0.87 -0.56 0.00 0.00 175.26 176.48 1hle h LYS 122 N 6.99 0.03 -0.18 4.30 1.57 -1.05 -1.91 116.57 126.31 1hle h LYS 122 Ca -0.43 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1hle h LYS 122 Cb 1.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1hle h LYS 122 CO 0.94 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 180.09 1hle n THR 123 N -5.43 0.22 -3.76 -0.16 -2.24 -1.26 -4.94 114.28 96.72 1hle n THR 123 Ca 0.25 -0.44 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 1hle n THR 123 Cb 0.83 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 1hle n THR 123 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1hle s TYR 124 N -1.78 3.49 -0.20 4.78 5.04 -0.72 -5.08 117.35 122.89 1hle s TYR 124 Ca 0.34 0.39 -0.04 0.00 -2.44 0.00 0.00 57.07 55.32 1hle s TYR 124 Cb 0.19 -1.88 -0.02 0.00 0.35 0.00 0.00 41.96 40.60 1hle s TYR 124 CO 0.29 0.46 -0.02 -0.80 -1.34 0.00 0.00 175.55 174.14 1hle s ASN 125 N -2.71 4.69 0.15 4.32 0.01 -1.26 -4.93 114.94 115.22 1hle s ASN 125 Ca 0.38 -0.23 0.08 0.00 -0.71 0.00 0.00 52.86 52.38 1hle s ASN 125 Cb -0.12 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.71 1hle s ASN 125 CO 0.27 0.07 -0.07 -0.36 -1.51 0.00 0.00 177.10 175.49 1hle s PHE 126 N 0.98 2.72 0.23 2.20 0.08 -1.26 -4.72 117.98 118.20 1hle s PHE 126 Ca 0.01 -0.18 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 1hle s PHE 126 Cb -0.14 -1.35 -0.09 0.00 -0.57 0.00 0.00 43.02 40.86 1hle s PHE 126 CO 0.01 0.49 1.34 -0.51 -0.10 0.00 0.00 175.22 176.45 1hle s LEU 127 N -2.66 4.41 0.22 -0.37 1.43 -0.12 -4.94 118.68 116.65 1hle s LEU 127 Ca 0.24 2.50 -0.08 0.00 -1.03 0.00 0.00 54.13 55.76 1hle s LEU 127 Cb -0.10 -3.62 0.31 0.00 0.03 0.00 0.00 46.19 42.81 1hle s LEU 127 CO 0.16 -0.56 1.79 0.00 0.23 0.00 0.00 176.35 177.96 1hle h ALA 128 N 5.02 0.96 -0.18 4.21 0.00 -1.94 -2.46 119.26 124.87 1hle h ALA 128 Ca -0.46 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1hle h ALA 128 Cb 1.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1hle h ALA 128 CO 0.76 -0.01 -0.22 0.22 0.00 0.00 0.00 179.25 179.99 1hle h ASP 129 N 0.63 0.32 0.08 0.00 3.58 -1.93 -0.57 116.42 118.54 1hle h ASP 129 Ca 0.34 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 1hle h ASP 129 Cb 0.31 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1hle h ASP 129 CO -0.24 0.56 -0.04 0.15 -2.88 0.00 0.00 179.24 176.79 1hle h PHE 130 N 0.30 -0.10 -0.71 0.28 3.57 -1.68 -1.66 116.94 116.94 1hle h PHE 130 Ca 0.05 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1hle h PHE 130 Cb 0.56 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1hle h PHE 130 CO 0.01 0.24 0.38 -0.07 -2.23 0.00 0.00 178.31 176.64 1hle h LEU 131 N -0.47 0.90 -0.58 0.59 3.38 -1.29 -2.05 115.31 115.79 1hle h LEU 131 Ca -0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1hle h LEU 131 Cb 0.39 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1hle h LEU 131 CO 0.02 0.75 0.16 0.00 0.09 0.00 0.00 178.44 179.45 1hle h ALA 132 N 1.19 0.76 -0.50 1.53 0.00 -1.08 -2.10 119.26 119.06 1hle h ALA 132 Ca 0.25 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1hle h ALA 132 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1hle h ALA 132 CO -0.04 0.45 -0.07 0.77 0.00 0.00 0.00 179.25 180.36 1hle h SER 133 N 0.82 0.93 0.02 0.00 0.02 -1.17 1.00 113.55 115.16 1hle h SER 133 Ca 0.18 -0.34 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 1hle h SER 133 Cb 0.32 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1hle h SER 133 CO -0.00 1.05 -0.28 0.71 -1.14 0.00 0.00 176.83 177.16 1hle h THR 134 N 0.79 1.27 -0.06 -2.27 1.35 -1.24 -0.12 112.91 112.63 1hle h THR 134 Ca 0.13 -1.29 -0.05 0.00 -0.55 0.00 0.00 66.41 64.65 1hle h THR 134 Cb 0.61 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1hle h THR 134 CO 0.04 0.40 -0.16 -0.61 -0.25 0.00 0.00 175.52 174.95 1hle h GLN 135 N 0.36 0.21 -0.43 4.72 -0.00 -1.17 -1.14 115.11 117.67 1hle h GLN 135 Ca 0.05 -0.15 -0.15 0.00 -0.00 0.00 0.00 58.65 58.41 1hle h GLN 135 Cb 0.68 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.18 1hle h GLN 135 CO 0.05 0.76 -0.30 0.87 0.00 0.00 0.00 178.83 180.21 1hle h LYS 136 N -0.30 0.95 0.00 1.69 1.57 -0.75 -1.41 116.57 118.32 1hle h LYS 136 Ca -0.00 -0.45 -0.28 0.00 -1.87 0.00 0.00 60.65 58.05 1hle h LYS 136 Cb 0.77 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.02 1hle h LYS 136 CO 0.03 1.11 -1.69 -1.33 -0.57 0.00 0.00 179.45 177.00 1hle n MET 137 N -4.08 0.63 0.00 3.15 2.81 -0.06 -4.48 117.12 115.08 1hle n MET 137 Ca -0.01 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 1hle n MET 137 Cb 0.50 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1hle n MET 137 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1hle n TYR 138 N -3.03 0.00 -1.56 2.03 4.01 -0.48 -3.50 117.16 114.64 1hle n TYR 138 Ca -0.16 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.43 1hle n TYR 138 Cb 1.04 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.01 1hle n TYR 138 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hle n GLY 139 N 0.27 1.26 3.61 2.72 0.00 -0.53 -4.41 105.19 108.11 1hle n GLY 139 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1hle n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hle s ALA 140 N -2.58 3.50 0.42 4.61 0.00 -0.92 -4.61 121.76 122.17 1hle s ALA 140 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 1hle s ALA 140 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1hle s ALA 140 CO 0.00 -1.29 0.71 -1.83 0.00 0.00 0.00 175.76 173.36 1hle s GLU 141 N 3.05 3.60 -0.25 0.00 -1.05 -1.26 -3.56 118.70 119.23 1hle s GLU 141 Ca 0.33 0.16 -0.18 0.00 -0.15 0.00 0.00 54.97 55.13 1hle s GLU 141 Cb -0.14 -2.46 -0.03 0.00 -0.44 0.00 0.00 34.13 31.06 1hle s GLU 141 CO 0.14 -0.05 0.52 -1.17 0.95 0.00 0.00 175.26 175.64 1hle s LEU 142 N -4.30 4.07 -0.16 1.83 2.96 -1.26 -1.55 118.68 120.27 1hle s LEU 142 Ca 0.47 0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 54.85 1hle s LEU 142 Cb -0.10 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 1hle s LEU 142 CO 0.38 -0.26 0.10 0.00 -1.32 0.00 0.00 176.35 175.25 1hle s ALA 143 N 2.17 3.63 -0.26 5.97 0.00 0.91 -4.99 121.76 129.18 1hle s ALA 143 Ca 0.22 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.35 1hle s ALA 143 Cb -0.16 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1hle s ALA 143 CO 0.09 0.34 0.28 0.45 0.00 0.00 0.00 175.76 176.92 1hle s SER 144 N -0.15 6.17 0.27 0.00 0.15 -1.26 -0.64 113.70 118.24 1hle s SER 144 Ca 0.09 0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.97 1hle s SER 144 Cb -0.12 -2.17 -0.06 0.00 -1.71 0.00 0.00 66.02 61.97 1hle s SER 144 CO 0.01 -0.10 -0.02 0.68 1.20 0.00 0.00 173.24 175.01 1hle s VAL 145 N 1.77 1.31 -1.12 4.45 -7.23 0.10 -4.86 120.40 114.82 1hle s VAL 145 Ca 0.12 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.14 1hle s VAL 145 Cb -0.15 -2.46 0.28 0.00 0.56 0.00 0.00 36.38 34.60 1hle s VAL 145 CO 0.09 -0.26 1.21 -0.67 -0.31 0.00 0.00 175.10 175.17 1hle n ASP 146 N -0.53 5.69 -0.00 4.85 -0.08 -1.26 -0.38 116.55 124.83 1hle n ASP 146 Ca -0.05 -3.11 -0.04 0.00 -1.51 0.00 0.00 54.79 50.08 1hle n ASP 146 Cb 0.64 -1.37 0.17 0.00 2.34 0.00 0.00 41.12 42.91 1hle n ASP 146 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1hle h PHE 147 N 6.42 0.60 -0.22 -0.67 0.04 -1.85 -0.69 116.94 120.57 1hle h PHE 147 Ca 0.19 -0.13 -0.17 0.00 2.80 0.00 0.00 57.97 60.66 1hle h PHE 147 Cb 0.82 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1hle h PHE 147 CO 0.82 0.75 -0.52 0.37 -0.60 0.00 0.00 178.31 179.13 1hle h GLN 148 N 0.47 0.74 0.00 1.51 4.15 -1.83 -3.12 115.11 117.03 1hle h GLN 148 Ca 0.07 -0.50 -0.23 0.00 0.77 0.00 0.00 58.65 58.75 1hle h GLN 148 Cb 0.70 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.42 1hle h GLN 148 CO 0.05 1.13 -2.13 1.04 -1.93 0.00 0.00 178.83 176.99 1hle n GLN 149 N -4.11 0.91 -3.15 1.69 1.13 -1.24 -4.68 117.38 107.92 1hle n GLN 149 Ca -0.06 -0.06 -0.18 0.00 -1.94 0.00 0.00 57.00 54.76 1hle n GLN 149 Cb 0.61 -1.46 -0.02 0.00 0.11 0.00 0.00 30.24 29.47 1hle n GLN 149 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1hle n ALA 149 N -2.52 1.82 0.28 -1.58 0.00 -0.27 -4.97 120.51 113.27 1hle n ALA 149 Ca -0.21 -3.25 0.15 0.00 0.00 0.00 0.00 53.44 50.13 1hle n ALA 149 Cb 0.91 -0.94 0.83 0.00 0.00 0.00 0.00 19.45 20.25 1hle n ALA 149 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1hle h PRO 150 N 3.09 0.00 -0.28 0.00 0.13 -1.50 -2.21 132.00 131.23 1hle h PRO 150 Ca 0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 1hle h PRO 150 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 1hle h PRO 150 CO 0.47 0.07 -0.31 0.93 -0.23 0.00 0.00 178.00 178.93 1hle h GLU 151 N 0.00 0.69 -0.60 0.86 4.39 -1.89 0.35 114.58 118.39 1hle h GLU 151 Ca -0.00 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 1hle h GLU 151 Cb 0.23 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1hle h GLU 151 CO 0.01 0.99 0.29 -0.44 -1.16 0.00 0.00 179.01 178.70 1hle h ASP 152 N 0.43 0.78 -0.69 1.42 3.32 -1.81 -1.19 116.42 118.69 1hle h ASP 152 Ca 0.04 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1hle h ASP 152 Cb 0.88 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1hle h ASP 152 CO 0.07 0.69 0.41 0.00 -1.72 0.00 0.00 179.24 178.69 1hle h ALA 153 N 1.12 0.88 -0.44 3.45 0.00 -1.32 -0.19 119.26 122.76 1hle h ALA 153 Ca 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hle h ALA 153 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1hle h ALA 153 CO -0.03 0.36 0.27 -0.09 0.00 0.00 0.00 179.25 179.76 1hle h ARG 154 N 0.93 0.59 -0.12 0.00 2.43 -0.56 -1.65 114.38 116.00 1hle h ARG 154 Ca 0.25 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 1hle h ARG 154 Cb -0.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1hle h ARG 154 CO -0.04 0.43 -0.45 0.87 -1.51 0.00 0.00 179.97 179.26 1hle h LYS 155 N 0.58 0.30 -0.23 0.20 1.57 -0.97 -0.66 116.57 117.36 1hle h LYS 155 Ca 0.16 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1hle h LYS 155 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1hle h LYS 155 CO -0.03 0.70 0.07 1.49 -0.57 0.00 0.00 179.45 181.10 1hle h GLU 156 N 0.24 0.36 -0.30 3.15 4.81 -0.75 -0.07 114.58 122.02 1hle h GLU 156 Ca 0.02 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1hle h GLU 156 Cb 0.90 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 1hle h GLU 156 CO 0.07 0.45 0.15 0.82 -0.73 0.00 0.00 179.01 179.77 1hle h ILE 157 N 0.20 0.98 -0.68 2.32 2.04 -1.01 -2.39 117.51 118.97 1hle h ILE 157 Ca 0.07 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1hle h ILE 157 Cb 0.25 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1hle h ILE 157 CO -0.00 0.06 0.22 0.78 0.00 0.00 0.00 178.15 179.20 1hle h ASN 158 N 0.31 0.97 -0.73 1.72 2.35 -0.95 -1.92 115.58 117.33 1hle h ASN 158 Ca 0.13 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1hle h ASN 158 Cb 0.05 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1hle h ASN 158 CO -0.09 0.90 0.30 -0.33 -1.65 0.00 0.00 177.43 176.56 1hle h GLU 159 N 1.00 1.11 -0.21 0.81 4.39 -0.89 -0.53 114.58 120.26 1hle h GLU 159 Ca 0.22 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1hle h GLU 159 Cb 0.28 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1hle h GLU 159 CO -0.01 0.90 0.05 2.35 -1.16 0.00 0.00 179.01 181.14 1hle h TRP 160 N 1.08 0.35 -0.66 4.33 7.01 -0.84 -0.65 115.95 126.57 1hle h TRP 160 Ca 0.25 -0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.16 1hle h TRP 160 Cb 0.20 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 1hle h TRP 160 CO 0.02 0.44 0.20 0.28 -2.79 0.00 0.00 178.44 176.59 1hle h VAL 161 N 0.16 1.25 -0.46 2.65 2.07 -1.25 -0.83 116.25 119.84 1hle h VAL 161 Ca 0.07 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 66.76 1hle h VAL 161 Cb 0.26 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1hle h VAL 161 CO 0.00 0.34 0.20 0.50 0.02 0.00 0.00 177.57 178.63 1hle h LYS 162 N 0.96 0.40 -0.52 1.57 3.64 -0.98 -0.66 116.57 120.98 1hle h LYS 162 Ca 0.21 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1hle h LYS 162 Cb 0.30 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1hle h LYS 162 CO -0.01 0.26 0.23 0.78 -2.27 0.00 0.00 179.45 178.45 1hle h GLY 163 N 0.41 0.82 2.00 5.01 0.00 -0.80 -0.00 103.07 110.50 1hle h GLY 163 Ca 0.21 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1hle h GLY 163 CO -0.17 0.40 -0.17 1.46 0.00 0.00 0.00 176.54 178.07 1hle h GLN 164 N 0.70 0.00 -0.50 4.80 1.08 -0.92 -3.13 115.11 117.14 1hle h GLN 164 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1hle h GLN 164 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1hle h GLN 164 CO -0.02 0.17 0.00 0.25 -0.95 0.00 0.00 178.83 178.28 1hle n THR 165 N -4.25 2.43 -4.10 -0.54 -2.24 -0.27 -4.61 114.28 100.69 1hle n THR 165 Ca -0.02 -1.48 -0.34 0.00 -2.27 0.00 0.00 64.05 59.93 1hle n THR 165 Cb 0.23 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 1hle n THR 165 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1hle n GLU 166 N 0.43 -3.68 -0.44 -0.78 -0.58 -1.05 -0.90 120.64 113.63 1hle n GLU 166 Ca 0.25 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 1hle n GLU 166 Cb 1.05 -5.20 0.00 0.00 -0.57 0.00 0.00 31.44 26.72 1hle n GLU 166 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hle n GLY 167 N -1.43 1.13 0.23 0.62 0.00 -0.05 -4.92 105.19 100.77 1hle n GLY 167 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1hle n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hle h LYS 168 N 3.46 0.00 -2.99 1.61 1.79 -1.23 -3.32 116.57 115.88 1hle h LYS 168 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 1hle h LYS 168 Cb 0.00 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.24 1hle h LYS 168 CO 0.00 0.01 -0.65 0.42 -1.08 0.00 0.00 179.45 178.16 1hle s ILE 169 N -3.33 2.40 -0.65 1.86 -1.09 -1.26 -4.89 121.20 114.23 1hle s ILE 169 Ca 0.05 -3.86 0.26 0.00 -2.23 0.00 0.00 60.65 54.87 1hle s ILE 169 Cb 0.06 -2.59 0.29 0.00 -1.58 0.00 0.00 42.46 38.64 1hle s ILE 169 CO 0.64 -1.02 1.76 1.55 -1.23 0.00 0.00 174.94 176.64 1hle h PRO 170 N 5.60 0.00 -1.77 2.79 0.13 -1.90 -3.14 132.00 133.71 1hle h PRO 170 Ca 0.14 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.82 1hle h PRO 170 Cb 0.80 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.62 1hle h PRO 170 CO 0.65 0.00 -0.84 -1.91 -0.23 0.00 0.00 178.00 175.67 1hle n GLU 171 N -2.36 0.40 -0.27 0.86 2.13 -1.26 -4.72 120.64 115.41 1hle n GLU 171 Ca 0.05 -2.78 -0.04 0.00 0.66 0.00 0.00 57.16 55.05 1hle n GLU 171 Cb 0.41 -1.53 0.07 0.00 0.27 0.00 0.00 31.44 30.66 1hle n GLU 171 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1hle h LEU 172 N 5.08 0.85 -8.18 4.31 5.85 -1.86 -3.40 115.31 117.96 1hle h LEU 172 Ca 0.15 -0.02 -0.67 0.00 0.84 0.00 0.00 57.88 58.19 1hle h LEU 172 Cb 0.97 -0.21 -0.32 0.00 0.37 0.00 0.00 40.66 41.47 1hle h LEU 172 CO 0.29 0.61 -0.77 -0.76 -0.34 0.00 0.00 178.44 177.47 1hle s LEU 173 N -10.15 2.90 0.55 2.25 1.43 -1.26 -4.96 118.68 109.44 1hle s LEU 173 Ca -0.13 -0.72 -0.04 0.00 -1.03 0.00 0.00 54.13 52.21 1hle s LEU 173 Cb 0.15 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.73 1hle s LEU 173 CO 0.78 -0.08 0.84 0.68 0.23 0.00 0.00 176.35 178.80 1hle s VAL 174 N 1.35 3.79 0.10 -1.59 -7.23 -1.26 -4.93 120.40 110.63 1hle s VAL 174 Ca 0.02 -0.11 -0.35 0.00 -1.81 0.00 0.00 61.98 59.74 1hle s VAL 174 Cb -0.15 -3.48 -0.18 0.00 0.56 0.00 0.00 36.38 33.14 1hle s VAL 174 CO -0.06 -0.45 1.06 0.29 -0.31 0.00 0.00 175.10 175.63 1hle n LYS 175 N -2.45 0.59 0.00 4.82 5.02 -1.26 -1.21 118.16 123.67 1hle n LYS 175 Ca 0.04 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1hle n LYS 175 Cb 0.57 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1hle n LYS 175 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hle n GLY 176 N 1.92 2.12 0.16 0.72 0.00 -1.26 -4.89 105.19 103.96 1hle n GLY 176 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1hle n GLY 176 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1hle h MET 177 N 3.03 0.06 -6.06 1.61 2.86 -1.52 -3.43 114.93 111.49 1hle h MET 177 Ca 0.00 -0.04 -0.58 0.00 -2.06 0.00 0.00 59.70 57.03 1hle h MET 177 Cb 0.00 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 31.40 1hle h MET 177 CO 0.00 0.58 -0.84 0.14 1.06 0.00 0.00 176.91 177.85 1hle s VAL 178 N -3.83 1.65 0.08 -2.22 -7.23 -1.26 -4.99 120.40 102.60 1hle s VAL 178 Ca -0.02 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 1hle s VAL 178 Cb 0.13 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.63 1hle s VAL 178 CO 0.76 0.21 0.06 -0.90 -0.31 0.00 0.00 175.10 174.92 1hle n ASP 179 N 1.89 0.14 0.00 4.85 5.68 -1.26 -4.87 116.55 122.97 1hle n ASP 179 Ca -0.17 -1.52 0.07 0.00 -0.50 0.00 0.00 54.79 52.67 1hle n ASP 179 Cb 0.53 0.36 0.43 0.00 -1.14 0.00 0.00 41.12 41.30 1hle n ASP 179 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1hle n ASN 179 N -2.49 0.00 -0.67 -1.12 0.23 -1.23 -0.94 115.26 109.04 1hle n ASN 179 Ca 0.01 -0.31 0.11 0.00 -0.53 0.00 0.00 54.58 53.86 1hle n ASN 179 Cb 0.14 -0.09 0.04 0.00 -2.08 0.00 0.00 39.78 37.79 1hle n ASN 179 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1hle n MET 179 N -1.09 1.67 -2.25 -3.83 2.81 -1.26 -4.18 117.12 108.99 1hle n MET 179 Ca 0.10 -1.35 -0.41 0.00 -1.81 0.00 0.00 57.70 54.22 1hle n MET 179 Cb 0.07 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.10 1hle n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1hle s THR 180 N -2.20 3.31 -0.10 2.03 2.01 -0.11 -2.84 115.64 117.73 1hle s THR 180 Ca 0.22 1.07 0.05 0.00 0.31 0.00 0.00 61.69 63.33 1hle s THR 180 Cb 0.18 -3.68 -0.10 0.00 0.01 0.00 0.00 72.50 68.91 1hle s THR 180 CO 0.44 0.15 -0.03 0.29 -0.69 0.00 0.00 174.62 174.79 1hle n LYS 181 N 2.72 1.51 -3.77 4.92 4.76 -0.28 -4.66 118.16 123.37 1hle n LYS 181 Ca 0.06 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 1hle n LYS 181 Cb 0.43 -1.23 -0.12 0.00 -1.84 0.00 0.00 35.03 32.27 1hle n LYS 181 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1hle s LEU 182 N -5.13 0.82 -0.14 -0.35 2.96 -1.11 -0.24 118.68 115.49 1hle s LEU 182 Ca -0.10 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1hle s LEU 182 Cb 0.03 0.81 0.02 0.00 0.50 0.00 0.00 46.19 47.55 1hle s LEU 182 CO 0.33 -0.11 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.40 1hle s VAL 183 N 0.55 1.62 -0.22 1.68 1.01 0.16 -0.38 120.40 124.82 1hle s VAL 183 Ca -0.03 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1hle s VAL 183 Cb -0.05 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1hle s VAL 183 CO -0.03 0.47 0.16 -0.76 0.00 0.00 0.00 175.10 174.94 1hle s LEU 184 N 1.31 4.15 -0.07 3.92 1.02 -0.51 -1.22 118.68 127.28 1hle s LEU 184 Ca 0.01 0.18 0.03 0.00 0.02 0.00 0.00 54.13 54.37 1hle s LEU 184 Cb -0.13 -2.12 0.01 0.00 0.02 0.00 0.00 46.19 43.96 1hle s LEU 184 CO -0.08 0.10 -0.16 -0.69 0.02 0.00 0.00 176.35 175.54 1hle s VAL 185 N 0.82 1.40 -0.08 -1.59 1.01 0.20 -1.43 120.40 120.72 1hle s VAL 185 Ca 0.08 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1hle s VAL 185 Cb -0.13 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1hle s VAL 185 CO 0.02 0.41 -0.15 0.21 0.00 0.00 0.00 175.10 175.60 1hle s ASN 186 N 0.52 3.95 -0.00 3.32 3.84 -0.49 -0.80 114.94 125.28 1hle s ASN 186 Ca -0.15 -0.27 0.06 0.00 0.21 0.00 0.00 52.86 52.72 1hle s ASN 186 Cb -0.16 -1.15 -0.02 0.00 -0.55 0.00 0.00 41.25 39.37 1hle s ASN 186 CO 0.05 0.27 -0.20 0.00 -2.79 0.00 0.00 177.10 174.43 1hle s ALA 187 N -0.27 1.67 -0.03 1.71 0.00 -0.19 -1.05 121.76 123.60 1hle s ALA 187 Ca 0.02 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1hle s ALA 187 Cb -0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1hle s ALA 187 CO 0.03 0.40 -0.16 -1.50 0.00 0.00 0.00 175.76 174.53 1hle s ILE 188 N -0.54 1.30 -0.01 0.00 2.07 -0.23 -0.86 121.20 122.93 1hle s ILE 188 Ca 0.08 -0.67 0.01 0.00 -1.41 0.00 0.00 60.65 58.65 1hle s ILE 188 Cb -0.08 -1.10 0.00 0.00 0.13 0.00 0.00 42.46 41.41 1hle s ILE 188 CO -0.00 0.37 -0.03 -0.47 -1.91 0.00 0.00 174.94 172.90 1hle s TYR 189 N -0.15 0.30 -0.03 3.50 5.04 0.28 -1.59 117.35 124.70 1hle s TYR 189 Ca 0.01 -0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 54.59 1hle s TYR 189 Cb -0.09 -0.23 0.03 0.00 0.35 0.00 0.00 41.96 42.02 1hle s TYR 189 CO 0.01 -0.03 0.05 0.12 -1.34 0.00 0.00 175.55 174.36 1hle s PHE 190 N 0.12 -0.01 -0.10 4.97 5.36 -0.08 -0.79 117.98 127.45 1hle s PHE 190 Ca -0.01 0.19 -0.03 0.00 -0.96 0.00 0.00 56.93 56.12 1hle s PHE 190 Cb -0.03 -0.18 0.05 0.00 -0.34 0.00 0.00 43.02 42.51 1hle s PHE 190 CO -0.00 -0.10 0.11 0.21 -1.46 0.00 0.00 175.22 173.98 1hle s LYS 191 N 0.98 0.02 0.04 10.12 2.20 -0.12 -0.47 119.74 132.50 1hle s LYS 191 Ca -0.08 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.84 1hle s LYS 191 Cb -0.11 -0.87 -0.02 0.00 -1.51 0.00 0.00 37.83 35.31 1hle s LYS 191 CO -0.03 -0.45 -0.07 0.20 -0.36 0.00 0.00 175.35 174.64 1hle s GLY 192 N 2.21 0.45 0.37 5.54 0.00 -0.74 -1.63 107.32 113.52 1hle s GLY 192 Ca 0.04 -0.69 -0.17 0.00 0.00 0.00 0.00 44.72 43.89 1hle s GLY 192 CO -0.06 -0.74 0.82 -1.31 0.00 0.00 0.00 173.10 171.81 1hle s ASN 193 N -1.44 6.84 0.52 1.64 0.01 -1.26 -2.01 114.94 119.25 1hle s ASN 193 Ca -0.10 1.45 -0.22 0.00 -0.71 0.00 0.00 52.86 53.28 1hle s ASN 193 Cb -0.09 -2.44 -0.06 0.00 0.41 0.00 0.00 41.25 39.07 1hle s ASN 193 CO 0.00 -0.27 1.33 0.26 -1.51 0.00 0.00 177.10 176.92 1hle s TRP 194 N -2.06 2.41 0.15 2.20 0.52 0.31 -0.59 118.94 121.87 1hle s TRP 194 Ca 0.57 1.39 -0.17 0.00 0.02 0.00 0.00 56.10 57.91 1hle s TRP 194 Cb -0.10 -3.74 0.02 0.00 -1.15 0.00 0.00 33.47 28.50 1hle s TRP 194 CO 0.16 -2.66 1.77 0.37 0.02 0.00 0.00 176.95 176.60 1hle h GLN 195 N 1.66 0.30 -4.56 4.98 5.75 -1.36 -3.38 115.11 118.51 1hle h GLN 195 Ca -0.51 -0.02 -0.69 0.00 -0.15 0.00 0.00 58.65 57.29 1hle h GLN 195 Cb 1.29 -0.07 -0.35 0.00 1.07 0.00 0.00 27.48 29.42 1hle h GLN 195 CO 0.58 0.20 -0.60 -0.65 -2.65 0.00 0.00 178.83 175.71 1hle s GLN 196 N -6.16 1.99 0.58 1.69 -1.52 -1.26 -4.93 119.66 110.05 1hle s GLN 196 Ca -0.13 -1.74 -0.17 0.00 -1.95 0.00 0.00 55.36 51.37 1hle s GLN 196 Cb 0.11 -3.47 -0.04 0.00 -0.22 0.00 0.00 33.01 29.39 1hle s GLN 196 CO 0.71 -0.98 1.07 0.15 -0.25 0.00 0.00 175.29 175.99 1hle s LYS 197 N 1.13 3.31 0.31 2.91 1.02 -1.26 -5.06 119.74 122.10 1hle s LYS 197 Ca 0.07 1.32 -0.16 0.00 0.02 0.00 0.00 55.97 57.22 1hle s LYS 197 Cb -0.22 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 1hle s LYS 197 CO -0.04 -0.83 0.74 -0.06 -0.92 0.00 0.00 175.35 174.24 1hle s PHE 198 N -2.26 3.42 -0.13 3.18 0.40 -0.58 -5.03 117.98 116.97 1hle s PHE 198 Ca 0.66 1.26 -0.22 0.00 -0.60 0.00 0.00 56.93 58.04 1hle s PHE 198 Cb -0.18 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 1hle s PHE 198 CO 0.33 0.13 0.66 -1.64 0.70 0.00 0.00 175.22 175.40 1hle s MET 199 N -2.81 4.33 0.45 0.44 -1.94 -1.26 -4.66 119.30 113.84 1hle s MET 199 Ca 0.53 0.74 0.16 0.00 -1.71 0.00 0.00 55.69 55.40 1hle s MET 199 Cb -0.11 -3.51 1.09 0.00 2.01 0.00 0.00 34.83 34.31 1hle s MET 199 CO 0.18 -0.08 1.97 0.87 -0.01 0.00 0.00 175.02 177.95 1hle h LYS 200 N 7.08 0.34 0.00 2.03 1.57 -1.96 -0.98 116.57 124.65 1hle h LYS 200 Ca -0.36 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1hle h LYS 200 Cb 1.17 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1hle h LYS 200 CO 0.77 0.22 0.00 1.05 -0.57 0.00 0.00 179.45 180.92 1hle h GLU 201 N 0.35 0.00 -0.07 3.15 9.09 -1.99 -1.69 114.58 123.41 1hle h GLU 201 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 1hle h GLU 201 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 1hle h GLU 201 CO -0.08 0.00 0.00 0.00 0.05 0.00 0.00 179.01 178.98 1hle n ALA 202 N -2.04 2.56 -2.67 1.06 0.00 -0.37 -4.86 120.51 114.18 1hle n ALA 202 Ca 0.01 -0.45 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 1hle n ALA 202 Cb 0.33 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 1hle n ALA 202 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hle s THR 203 N -1.91 4.87 0.10 0.00 2.01 -0.64 -4.20 115.64 115.87 1hle s THR 203 Ca 0.36 1.63 0.06 0.00 0.31 0.00 0.00 61.69 64.04 1hle s THR 203 Cb 0.19 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1hle s THR 203 CO 0.30 0.01 -0.15 -0.13 -0.69 0.00 0.00 174.62 173.96 1hle s ARG 204 N 2.28 0.97 0.28 4.92 0.52 -0.26 -4.91 118.95 122.75 1hle s ARG 204 Ca 0.38 -1.14 -0.30 0.00 -0.52 0.00 0.00 55.73 54.15 1hle s ARG 204 Cb -0.16 -0.94 -0.11 0.00 0.52 0.00 0.00 34.95 34.26 1hle s ARG 204 CO 0.11 0.19 1.54 -0.51 0.02 0.00 0.00 175.30 176.66 1hle s ASP 205 N -2.17 6.47 0.08 0.23 1.11 -1.26 -0.65 116.67 120.49 1hle s ASP 205 Ca 0.05 2.85 -0.17 0.00 0.18 0.00 0.00 52.55 55.47 1hle s ASP 205 Cb -0.07 -2.63 0.03 0.00 1.07 0.00 0.00 42.92 41.32 1hle s ASP 205 CO 0.03 -0.84 0.40 0.00 1.18 0.00 0.00 175.17 175.94 1hle s ALA 206 N -0.02 -0.94 0.08 5.23 0.00 -0.07 -4.85 121.76 121.19 1hle s ALA 206 Ca 0.62 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 1hle s ALA 206 Cb -0.46 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1hle s ALA 206 CO 0.46 -0.55 0.91 -1.25 0.00 0.00 0.00 175.76 175.34 1hle s PRO 207 N -3.15 4.63 -0.22 0.00 0.04 -1.26 0.04 135.00 135.09 1hle s PRO 207 Ca -0.01 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 1hle s PRO 207 Cb 0.01 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 1hle s PRO 207 CO -0.07 0.21 0.03 0.12 0.04 0.00 0.00 177.00 177.33 1hle s PHE 208 N 0.07 3.07 -0.41 0.56 5.36 0.21 -4.91 117.98 121.93 1hle s PHE 208 Ca 0.45 -0.44 -0.21 0.00 -0.96 0.00 0.00 56.93 55.76 1hle s PHE 208 Cb -0.22 -2.14 0.02 0.00 -0.34 0.00 0.00 43.02 40.33 1hle s PHE 208 CO 0.28 -0.28 0.69 1.03 -1.46 0.00 0.00 175.22 175.48 1hle s ARG 209 N 1.22 3.49 0.28 10.12 0.52 -1.26 -1.00 118.95 132.32 1hle s ARG 209 Ca 0.04 -0.10 0.09 0.00 -0.52 0.00 0.00 55.73 55.25 1hle s ARG 209 Cb -0.15 -3.89 0.38 0.00 0.52 0.00 0.00 34.95 31.82 1hle s ARG 209 CO 0.02 -0.93 1.63 -0.07 0.02 0.00 0.00 175.30 175.97 1hle h LEU 210 N 9.70 0.06 0.00 2.53 3.38 -1.78 -3.48 115.31 125.72 1hle h LEU 210 Ca -0.25 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1hle h LEU 210 Cb 1.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1hle h LEU 210 CO 0.89 0.63 0.00 -0.46 0.09 0.00 0.00 178.44 179.59 1hle n ASN 211 N -3.86 0.00 0.29 -0.43 0.23 -1.25 -4.18 115.26 106.06 1hle n ASN 211 Ca -0.01 -0.84 0.19 0.00 -0.53 0.00 0.00 54.58 53.39 1hle n ASN 211 Cb 0.59 0.00 1.02 0.00 -2.08 0.00 0.00 39.78 39.31 1hle n ASN 211 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1hle h LYS 212 N 0.00 0.00 0.00 -3.83 1.57 -1.83 -3.33 116.57 109.15 1hle h LYS 212 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hle h LYS 212 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1hle h LYS 212 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.05 1hle n LYS 213 N -2.85 0.00 -3.65 3.15 3.00 -1.26 -5.07 118.16 111.48 1hle n LYS 213 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.94 1hle n LYS 213 Cb 0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 35.03 34.70 1hle n LYS 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1hle s ASP 214 N 0.00 6.58 0.01 3.14 1.01 -1.25 -5.05 116.67 121.10 1hle s ASP 214 Ca 0.00 0.69 0.01 0.00 0.71 0.00 0.00 52.55 53.96 1hle s ASP 214 Cb 0.00 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.78 1hle s ASP 214 CO 0.00 0.19 -0.03 -0.89 0.21 0.00 0.00 175.17 174.65 1hle s THR 215 N -1.39 0.19 0.01 -1.27 2.01 -1.26 -2.01 115.64 111.93 1hle s THR 215 Ca 0.32 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.86 1hle s THR 215 Cb -0.14 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 1hle s THR 215 CO 0.18 -0.18 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.17 1hle s LYS 216 N -0.67 0.23 -0.01 4.92 2.20 -0.17 -4.95 119.74 121.29 1hle s LYS 216 Ca -0.06 -0.45 -0.25 0.00 -0.36 0.00 0.00 55.97 54.85 1hle s LYS 216 Cb -0.05 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.31 1hle s LYS 216 CO -0.00 -0.04 0.75 0.99 -0.36 0.00 0.00 175.35 176.69 1hle s THR 217 N -1.09 4.90 0.25 3.43 2.01 -1.26 0.67 115.64 124.54 1hle s THR 217 Ca -0.12 1.57 0.11 0.00 0.31 0.00 0.00 61.69 63.56 1hle s THR 217 Cb -0.07 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 1hle s THR 217 CO -0.01 0.29 -0.18 0.68 -0.69 0.00 0.00 174.62 174.71 1hle s VAL 218 N 0.43 2.24 -0.59 3.82 -7.23 0.11 -4.90 120.40 114.28 1hle s VAL 218 Ca 0.39 -2.32 -0.28 0.00 -1.81 0.00 0.00 61.98 57.96 1hle s VAL 218 Cb -0.19 -2.20 0.03 0.00 0.56 0.00 0.00 36.38 34.57 1hle s VAL 218 CO 0.21 -0.45 1.20 -0.54 -0.31 0.00 0.00 175.10 175.21 1hle s LYS 219 N -3.50 3.50 -0.27 4.82 -0.14 -1.26 -0.89 119.74 122.00 1hle s LYS 219 Ca 0.27 0.22 -0.17 0.00 -1.36 0.00 0.00 55.97 54.94 1hle s LYS 219 Cb -0.04 -4.02 -0.03 0.00 -1.68 0.00 0.00 37.83 32.06 1hle s LYS 219 CO 0.12 -1.71 0.46 1.41 -0.76 0.00 0.00 175.35 174.87 1hle s MET 220 N 5.00 4.04 0.39 1.68 1.75 0.18 -0.97 119.30 131.38 1hle s MET 220 Ca 0.43 0.20 -0.15 0.00 -1.25 0.00 0.00 55.69 54.92 1hle s MET 220 Cb -0.07 -3.66 -0.08 0.00 2.84 0.00 0.00 34.83 33.86 1hle s MET 220 CO 0.25 -0.32 0.82 -1.64 -0.65 0.00 0.00 175.02 173.47 1hle s MET 221 N 2.21 3.97 -0.01 4.11 -1.94 0.29 -1.10 119.30 126.83 1hle s MET 221 Ca 0.19 0.73 -0.01 0.00 -1.71 0.00 0.00 55.69 54.89 1hle s MET 221 Cb -0.16 -2.34 0.00 0.00 2.01 0.00 0.00 34.83 34.35 1hle s MET 221 CO 0.09 0.01 0.03 -0.47 -0.01 0.00 0.00 175.02 174.67 1hle s TYR 222 N -2.21 -0.03 0.10 -0.03 5.04 -1.26 -1.65 117.35 117.31 1hle s TYR 222 Ca 0.55 0.07 -0.25 0.00 -2.44 0.00 0.00 57.07 55.01 1hle s TYR 222 Cb -0.10 0.00 0.07 0.00 0.35 0.00 0.00 41.96 42.28 1hle s TYR 222 CO 0.22 -0.02 0.64 1.14 -1.34 0.00 0.00 175.55 176.19 1hle s GLN 223 N 0.06 1.20 -0.15 4.97 -2.07 -0.78 -4.42 119.66 118.47 1hle s GLN 223 Ca -0.00 -0.30 0.01 0.00 -1.82 0.00 0.00 55.36 53.25 1hle s GLN 223 Cb -0.01 0.56 0.02 0.00 -1.09 0.00 0.00 33.01 32.49 1hle s GLN 223 CO -0.00 -0.49 -0.17 0.21 -1.32 0.00 0.00 175.29 173.52 1hle s LYS 224 N -3.13 2.53 0.22 9.60 2.20 -1.26 -0.35 119.74 129.55 1hle s LYS 224 Ca -0.01 -0.66 -0.14 0.00 -0.36 0.00 0.00 55.97 54.80 1hle s LYS 224 Cb -0.01 -2.20 0.01 0.00 -1.51 0.00 0.00 37.83 34.11 1hle s LYS 224 CO -0.08 -0.16 0.49 0.15 -0.36 0.00 0.00 175.35 175.39 1hle s LYS 225 N 1.25 1.47 -0.15 4.03 3.01 -0.80 -4.93 119.74 123.62 1hle s LYS 225 Ca 0.01 -1.11 -0.26 0.00 -1.01 0.00 0.00 55.97 53.60 1hle s LYS 225 Cb -0.14 0.49 -0.01 0.00 -1.01 0.00 0.00 37.83 37.15 1hle s LYS 225 CO -0.08 -0.61 0.88 0.15 0.51 0.00 0.00 175.35 176.19 1hle s LYS 226 N -3.96 4.34 0.06 1.68 -0.14 -1.26 -0.49 119.74 119.97 1hle s LYS 226 Ca 0.17 1.11 0.02 0.00 -1.36 0.00 0.00 55.97 55.92 1hle s LYS 226 Cb -0.01 -3.56 -0.03 0.00 -1.68 0.00 0.00 37.83 32.55 1hle s LYS 226 CO 0.04 -0.31 -0.08 -0.06 -0.76 0.00 0.00 175.35 174.18 1hle s PHE 227 N 2.07 0.77 0.34 3.18 0.08 0.10 -4.89 117.98 119.62 1hle s PHE 227 Ca 0.41 -0.61 -0.29 0.00 0.12 0.00 0.00 56.93 56.56 1hle s PHE 227 Cb -0.17 -0.45 -0.11 0.00 -0.57 0.00 0.00 43.02 41.71 1hle s PHE 227 CO 0.14 -0.09 1.54 -2.30 -0.10 0.00 0.00 175.22 174.41 1hle n PRO 228 N 1.04 2.68 -3.62 0.24 -0.02 -1.26 -0.95 135.00 133.11 1hle n PRO 228 Ca -0.20 0.95 -0.15 0.00 -2.02 0.00 0.00 63.50 62.08 1hle n PRO 228 Cb 0.56 -2.70 -0.07 0.00 -0.02 0.00 0.00 33.50 31.27 1hle n PRO 228 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1hle s TYR 229 N -0.57 -0.43 -0.12 6.00 5.04 0.12 -2.19 117.35 125.20 1hle s TYR 229 Ca 0.59 0.65 -0.29 0.00 -2.44 0.00 0.00 57.07 55.57 1hle s TYR 229 Cb -0.49 0.28 0.08 0.00 0.35 0.00 0.00 41.96 42.18 1hle s TYR 229 CO 0.56 -0.55 0.74 1.21 -1.34 0.00 0.00 175.55 176.18 1hle s ASN 230 N -1.47 -0.64 -0.26 4.32 2.47 -0.72 -0.87 114.94 117.78 1hle s ASN 230 Ca -0.10 0.85 -0.08 0.00 0.42 0.00 0.00 52.86 53.95 1hle s ASN 230 Cb -0.02 0.73 -0.03 0.00 -1.45 0.00 0.00 41.25 40.48 1hle s ASN 230 CO 0.05 -0.48 0.11 -0.47 -3.72 0.00 0.00 177.10 172.58 1hle s TYR 231 N -0.77 3.13 -1.15 0.43 5.04 -1.26 -0.16 117.35 122.60 1hle s TYR 231 Ca -0.07 -0.26 -0.19 0.00 -2.44 0.00 0.00 57.07 54.11 1hle s TYR 231 Cb -0.01 -2.28 0.09 0.00 0.35 0.00 0.00 41.96 40.10 1hle s TYR 231 CO 0.06 -0.30 1.53 0.42 -1.34 0.00 0.00 175.55 175.93 1hle s ILE 232 N 1.65 4.26 0.03 3.14 -1.09 0.26 -4.91 121.20 124.54 1hle s ILE 232 Ca 0.07 -1.62 -0.06 0.00 -2.23 0.00 0.00 60.65 56.80 1hle s ILE 232 Cb -0.15 -5.06 -0.01 0.00 -1.58 0.00 0.00 42.46 35.65 1hle s ILE 232 CO 0.06 -1.88 0.37 -0.62 -1.23 0.00 0.00 174.94 171.64 1hle n GLU 233 N 7.93 -0.09 0.02 2.79 4.71 -1.26 -0.99 120.64 133.75 1hle n GLU 233 Ca 0.39 0.37 0.13 0.00 -0.01 0.00 0.00 57.16 58.03 1hle n GLU 233 Cb 0.47 -0.54 0.53 0.00 -1.01 0.00 0.00 31.44 30.89 1hle n GLU 233 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1hle n ASP 234 N -3.87 0.16 -0.38 1.62 5.75 -1.26 -2.48 116.55 116.09 1hle n ASP 234 Ca 0.00 0.52 0.06 0.00 -0.01 0.00 0.00 54.79 55.37 1hle n ASP 234 Cb 0.05 -0.56 0.02 0.00 -1.03 0.00 0.00 41.12 39.60 1hle n ASP 234 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1hle n LEU 235 N -1.65 1.65 -3.85 -2.12 4.77 -0.56 -5.01 117.00 110.22 1hle n LEU 235 Ca 0.06 -0.84 -0.37 0.00 -0.03 0.00 0.00 56.01 54.82 1hle n LEU 235 Cb 0.32 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1hle n LEU 235 CO 0.25 0.31 -0.11 0.29 -1.33 0.00 0.00 177.39 176.80 1hle n LYS 236 N 0.13 -0.80 -3.84 3.23 5.02 -0.17 -4.83 118.16 116.91 1hle n LYS 236 Ca 0.06 0.32 -0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1hle n LYS 236 Cb 0.29 -3.35 -0.13 0.00 -0.02 0.00 0.00 35.03 31.83 1hle n LYS 236 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hle s ARG 238 N -0.00 3.28 -0.08 0.00 0.52 0.56 0.89 118.95 124.12 1hle s ARG 238 Ca -0.01 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 54.87 1hle s ARG 238 Cb -0.01 -3.00 -0.00 0.00 0.52 0.00 0.00 34.95 32.46 1hle s ARG 238 CO 0.00 0.67 -0.22 0.08 0.02 0.00 0.00 175.30 175.85 1hle s VAL 239 N -1.25 1.91 0.01 3.52 1.01 0.78 -0.86 120.40 125.51 1hle s VAL 239 Ca 0.25 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1hle s VAL 239 Cb -0.12 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1hle s VAL 239 CO 0.16 0.53 -0.12 -0.22 0.00 0.00 0.00 175.10 175.45 1hle s LEU 240 N 0.23 2.07 -0.16 3.92 2.96 -0.47 -1.76 118.68 125.47 1hle s LEU 240 Ca -0.14 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 1hle s LEU 240 Cb -0.16 -0.58 -0.00 0.00 0.50 0.00 0.00 46.19 45.95 1hle s LEU 240 CO 0.07 0.10 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.35 1hle s GLU 241 N -0.56 3.24 -0.38 1.98 2.12 -0.93 -0.80 118.70 123.37 1hle s GLU 241 Ca 0.03 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.61 1hle s GLU 241 Cb -0.06 -2.64 0.10 0.00 0.26 0.00 0.00 34.13 31.79 1hle s GLU 241 CO 0.00 0.03 0.15 -0.51 -0.54 0.00 0.00 175.26 174.39 1hle s LEU 242 N 0.79 5.05 0.49 2.70 1.43 0.50 -4.13 118.68 125.51 1hle s LEU 242 Ca -0.05 -2.01 -0.22 0.00 -1.03 0.00 0.00 54.13 50.81 1hle s LEU 242 Cb -0.15 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 1hle s LEU 242 CO 0.00 -0.49 1.25 -2.84 0.23 0.00 0.00 176.35 174.50 1hle s PRO 243 N 1.09 3.51 0.54 1.29 0.02 -1.26 -1.26 135.00 138.92 1hle s PRO 243 Ca 0.08 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1hle s PRO 243 Cb -0.22 -2.35 0.02 0.00 0.02 0.00 0.00 34.50 31.97 1hle s PRO 243 CO -0.05 -0.81 0.77 0.71 -0.33 0.00 0.00 177.00 177.29 1hle s TYR 244 N -1.44 2.97 0.04 6.54 2.02 -0.52 -1.27 117.35 125.70 1hle s TYR 244 Ca 0.67 0.11 -0.32 0.00 -0.37 0.00 0.00 57.07 57.16 1hle s TYR 244 Cb -0.34 -2.67 -0.11 0.00 -0.40 0.00 0.00 41.96 38.45 1hle s TYR 244 CO 0.40 -0.78 1.89 0.94 -1.57 0.00 0.00 175.55 176.43 1hle n GLN 245 N -2.32 2.63 0.00 -0.62 7.27 0.24 -0.80 117.38 123.78 1hle n GLN 245 Ca 0.06 0.96 0.00 0.00 0.07 0.00 0.00 57.00 58.09 1hle n GLN 245 Cb 0.59 -2.86 0.00 0.00 2.41 0.00 0.00 30.24 30.38 1hle n GLN 245 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hle n GLY 246 N 4.34 2.82 2.69 1.69 0.00 -1.26 -4.62 105.19 110.86 1hle n GLY 246 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1hle n GLY 246 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hle n LYS 246 N -0.93 -1.51 0.17 1.61 5.02 0.02 -4.86 118.16 117.68 1hle n LYS 246 Ca 0.00 0.86 0.12 0.00 -2.02 0.00 0.00 58.31 57.28 1hle n LYS 246 Cb 0.00 -5.18 0.24 0.00 -0.02 0.00 0.00 35.03 30.07 1hle n LYS 246 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1hle h GLU 247 N 0.04 0.00 -5.19 1.97 5.08 -1.82 -3.45 114.58 111.22 1hle h GLU 247 Ca -0.22 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.72 1hle h GLU 247 Cb 1.09 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.10 1hle h GLU 247 CO 0.33 0.00 -0.78 -0.51 -1.00 0.00 0.00 179.01 177.05 1hle s LEU 248 N -5.53 2.20 0.08 1.33 1.02 -1.26 -5.09 118.68 111.42 1hle s LEU 248 Ca 0.08 -0.49 0.03 0.00 0.02 0.00 0.00 54.13 53.77 1hle s LEU 248 Cb 0.08 -0.51 -0.03 0.00 0.02 0.00 0.00 46.19 45.74 1hle s LEU 248 CO 0.66 -0.02 -0.09 -0.44 0.02 0.00 0.00 176.35 176.47 1hle s SER 249 N -1.28 1.26 -0.15 2.29 0.01 -1.26 -1.43 113.70 113.13 1hle s SER 249 Ca -0.01 -0.76 -0.11 0.00 1.31 0.00 0.00 55.95 56.38 1hle s SER 249 Cb -0.08 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.12 1hle s SER 249 CO 0.01 -0.26 0.22 -0.32 0.41 0.00 0.00 173.24 173.30 1hle s MET 250 N -2.55 4.05 -0.12 12.44 1.75 -0.39 -4.94 119.30 129.54 1hle s MET 250 Ca 0.02 -0.02 -0.00 0.00 -1.25 0.00 0.00 55.69 54.44 1hle s MET 250 Cb -0.04 -3.36 -0.02 0.00 2.84 0.00 0.00 34.83 34.25 1hle s MET 250 CO -0.00 0.40 -0.10 0.42 -0.65 0.00 0.00 175.02 175.08 1hle s ILE 251 N 0.02 3.34 -0.06 10.11 -1.09 -1.26 -0.37 121.20 131.89 1hle s ILE 251 Ca 0.14 -0.58 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1hle s ILE 251 Cb -0.12 -2.40 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 1hle s ILE 251 CO 0.03 0.54 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.50 1hle s ILE 252 N 0.04 1.32 -0.21 2.92 1.01 0.02 -4.98 121.20 121.32 1hle s ILE 252 Ca -0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 1hle s ILE 252 Cb -0.14 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1hle s ILE 252 CO 0.04 0.39 -0.10 -0.76 0.00 0.00 0.00 174.94 174.51 1hle s LEU 253 N 0.41 2.64 -0.17 2.97 1.43 -1.26 -1.37 118.68 123.33 1hle s LEU 253 Ca -0.11 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1hle s LEU 253 Cb -0.14 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.48 1hle s LEU 253 CO 0.04 -0.02 -0.04 -0.22 0.23 0.00 0.00 176.35 176.34 1hle s LEU 254 N 1.40 1.59 0.61 1.79 2.96 -0.04 -4.98 118.68 122.01 1hle s LEU 254 Ca 0.05 -0.70 -0.18 0.00 -0.22 0.00 0.00 54.13 53.08 1hle s LEU 254 Cb -0.14 -0.87 -0.06 0.00 0.50 0.00 0.00 46.19 45.62 1hle s LEU 254 CO -0.07 -0.21 0.71 -2.65 -1.32 0.00 0.00 176.35 172.81 1hle n PRO 255 N 4.89 0.62 -0.16 0.98 -0.02 -1.26 -0.32 135.00 139.73 1hle n PRO 255 Ca -0.11 0.25 -0.03 0.00 -2.02 0.00 0.00 63.50 61.59 1hle n PRO 255 Cb 0.47 -1.91 0.19 0.00 -0.02 0.00 0.00 33.50 32.23 1hle n PRO 255 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1hle h ASP 256 N 0.22 0.82 -5.20 2.55 1.82 -0.83 -3.45 116.42 112.35 1hle h ASP 256 Ca -0.47 -0.12 -0.04 0.00 -0.39 0.00 0.00 57.03 56.00 1hle h ASP 256 Cb 1.38 -0.21 -0.08 0.00 0.68 0.00 0.00 39.33 41.10 1hle h ASP 256 CO 0.48 0.76 -0.04 -0.62 -1.61 0.00 0.00 179.24 178.21 1hle s ASP 257 N -6.53 -0.06 -0.50 2.28 -1.08 -1.26 -5.09 116.67 104.44 1hle s ASP 257 Ca -0.10 -0.91 -0.28 0.00 -0.52 0.00 0.00 52.55 50.73 1hle s ASP 257 Cb 0.16 0.63 0.01 0.00 -1.46 0.00 0.00 42.92 42.26 1hle s ASP 257 CO 0.80 -1.21 1.47 -0.63 0.52 0.00 0.00 175.17 176.12 1hle s ILE 258 N -3.86 3.77 -0.34 4.11 1.01 -1.26 -4.85 121.20 119.78 1hle s ILE 258 Ca 0.21 0.70 0.11 0.00 0.00 0.00 0.00 60.65 61.67 1hle s ILE 258 Cb -0.02 -4.27 0.46 0.00 0.01 0.00 0.00 42.46 38.64 1hle s ILE 258 CO 0.09 -0.96 1.10 -0.62 0.00 0.00 0.00 174.94 174.55 1hle n GLU 258 N 8.50 2.73 -3.90 2.79 1.02 -1.26 -4.91 120.64 125.61 1hle n GLU 258 Ca 0.15 -3.98 -0.11 0.00 -0.02 0.00 0.00 57.16 53.21 1hle n GLU 258 Cb 0.49 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1hle n GLU 258 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1hle s ASP 258 N -3.52 0.28 -0.01 1.62 1.47 -1.26 -5.00 116.67 110.25 1hle s ASP 258 Ca 0.41 -1.23 0.06 0.00 1.18 0.00 0.00 52.55 52.97 1hle s ASP 258 Cb 0.40 0.79 0.18 0.00 -0.34 0.00 0.00 42.92 43.94 1hle s ASP 258 CO -0.05 -1.55 1.12 -0.62 0.68 0.00 0.00 175.17 174.75 1hle n GLU 258 N -0.54 1.50 0.00 2.11 -0.58 -1.26 -4.66 120.64 117.21 1hle n GLU 258 Ca -0.05 -0.71 0.00 0.00 -0.42 0.00 0.00 57.16 55.98 1hle n GLU 258 Cb 0.60 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 1hle n GLU 258 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1hle n SER 258 N 0.08 0.00 0.22 1.62 3.41 -1.26 -4.87 113.62 112.82 1hle n SER 258 Ca 0.07 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.80 1hle n SER 258 Cb 0.19 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.33 1hle n SER 258 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1hle h THR 258 N 0.00 0.02 0.00 6.66 1.35 -1.84 -3.36 112.91 115.73 1hle h THR 258 Ca 0.00 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1hle h THR 258 Cb 0.00 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1hle h THR 258 CO 0.00 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1hle n GLY 258 N 1.06 0.57 0.67 5.82 0.00 -1.26 -4.79 105.19 107.25 1hle n GLY 258 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1hle n GLY 258 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hle n LEU 260 N 0.00 2.15 -0.32 0.99 4.77 -1.26 -4.60 117.00 118.73 1hle n LEU 260 Ca 0.00 -0.72 0.03 0.00 -0.03 0.00 0.00 56.01 55.29 1hle n LEU 260 Cb 0.00 -0.01 0.18 0.00 -2.33 0.00 0.00 43.42 41.26 1hle n LEU 260 CO 0.00 0.36 1.19 -0.33 -1.33 0.00 0.00 177.39 177.29 1hle h GLU 261 N 3.27 0.91 -0.50 3.23 5.08 -1.97 -0.65 114.58 123.96 1hle h GLU 261 Ca 0.00 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1hle h GLU 261 Cb 0.74 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1hle h GLU 261 CO 0.00 0.60 -0.20 -0.22 -1.00 0.00 0.00 179.01 178.20 1hle h LYS 262 N 0.94 1.02 0.20 2.33 3.64 -1.98 -0.95 116.57 121.77 1hle h LYS 262 Ca 0.42 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1hle h LYS 262 Cb 0.31 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1hle h LYS 262 CO -0.22 1.11 -0.10 0.82 -2.27 0.00 0.00 179.45 178.79 1hle h ILE 263 N 0.88 0.86 -0.39 2.00 2.04 -1.69 -2.00 117.51 119.21 1hle h ILE 263 Ca 0.12 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1hle h ILE 263 Cb 0.78 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1hle h ILE 263 CO 0.06 0.07 0.22 -0.33 0.00 0.00 0.00 178.15 178.17 1hle h GLU 264 N -0.41 0.52 -0.49 2.37 5.08 -1.16 0.04 114.58 120.53 1hle h GLU 264 Ca -0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1hle h GLU 264 Cb 0.32 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1hle h GLU 264 CO 0.04 0.38 0.31 -0.22 -1.00 0.00 0.00 179.01 178.52 1hle h LYS 265 N 0.53 0.66 -0.51 2.33 3.64 -0.97 -3.06 116.57 119.19 1hle h LYS 265 Ca 0.14 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.24 1hle h LYS 265 Cb 0.00 -0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 31.54 1hle h LYS 265 CO -0.02 0.46 0.12 0.00 -2.27 0.00 0.00 179.45 177.74 1hle n GLN 266 N -4.72 2.25 -2.33 1.90 10.64 -0.47 -4.93 117.38 119.73 1hle n GLN 266 Ca 0.02 -3.09 -0.43 0.00 -1.83 0.00 0.00 57.00 51.67 1hle n GLN 266 Cb 0.04 -1.94 -0.02 0.00 -0.86 0.00 0.00 30.24 27.46 1hle n GLN 266 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1hle s LEU 267 N -3.18 3.79 0.16 2.61 2.96 -0.12 -4.78 118.68 120.12 1hle s LEU 267 Ca 0.48 1.19 0.02 0.00 -0.22 0.00 0.00 54.13 55.60 1hle s LEU 267 Cb 0.42 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.52 1hle s LEU 267 CO 0.05 -1.23 -0.02 0.42 -1.32 0.00 0.00 176.35 174.24 1hle s THR 268 N 4.90 0.78 0.25 3.68 -4.23 -1.26 -5.01 115.64 114.75 1hle s THR 268 Ca 0.61 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.10 1hle s THR 268 Cb -0.18 -2.03 0.23 0.00 1.34 0.00 0.00 72.50 71.86 1hle s THR 268 CO 0.27 -0.56 1.72 0.25 -0.54 0.00 0.00 174.62 175.75 1hle h LEU 269 N 2.73 0.22 -0.31 4.79 5.85 -1.91 0.29 115.31 126.97 1hle h LEU 269 Ca -0.37 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1hle h LEU 269 Cb 1.20 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1hle h LEU 269 CO 0.63 0.06 -0.03 0.44 -0.34 0.00 0.00 178.44 179.20 1hle h ASP 270 N 0.40 0.56 -0.08 1.25 3.32 -1.97 -1.56 116.42 118.34 1hle h ASP 270 Ca 0.42 -0.34 -0.19 0.00 0.02 0.00 0.00 57.03 56.94 1hle h ASP 270 Cb 0.68 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.09 1hle h ASP 270 CO -0.44 0.77 -0.71 0.11 -1.72 0.00 0.00 179.24 177.25 1hle h LYS 271 N 0.35 0.62 -0.97 3.56 1.57 -1.74 -1.89 116.57 118.07 1hle h LYS 271 Ca 0.08 -0.56 0.13 0.00 -1.87 0.00 0.00 60.65 58.43 1hle h LYS 271 Cb 0.50 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 32.86 1hle h LYS 271 CO 0.02 1.18 0.60 1.25 -0.57 0.00 0.00 179.45 181.93 1hle h LEU 272 N 0.26 0.85 -0.26 2.94 5.85 -0.90 0.16 115.31 124.21 1hle h LEU 272 Ca -0.07 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1hle h LEU 272 Cb 1.37 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1hle h LEU 272 CO 0.14 0.44 -0.07 0.03 -0.34 0.00 0.00 178.44 178.64 1hle h ARG 273 N 0.92 0.51 -0.28 1.25 -0.00 -1.11 -2.32 114.38 113.35 1hle h ARG 273 Ca 0.49 -0.20 -0.09 0.00 -0.50 0.00 0.00 59.98 59.68 1hle h ARG 273 Cb 0.53 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.46 1hle h ARG 273 CO -0.28 0.73 -0.20 1.49 0.00 0.00 0.00 179.97 181.71 1hle h GLU 274 N 0.25 0.52 -0.01 0.04 4.57 -0.35 -1.42 114.58 118.18 1hle h GLU 274 Ca 0.06 -0.18 -0.15 0.00 -1.18 0.00 0.00 59.36 57.91 1hle h GLU 274 Cb 0.55 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1hle h GLU 274 CO 0.03 0.70 -0.71 -1.49 -1.18 0.00 0.00 179.01 176.35 1hle h TRP 275 N 0.47 0.09 0.00 0.92 6.55 -0.51 -3.38 115.95 120.09 1hle h TRP 275 Ca 0.08 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.88 1hle h TRP 275 Cb 0.61 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.90 1hle h TRP 275 CO 0.02 0.75 0.00 0.25 -1.05 0.00 0.00 178.44 178.41 1hle n THR 276 N -3.73 0.00 -1.51 1.49 -2.24 -0.89 -4.87 114.28 102.53 1hle n THR 276 Ca -0.01 -0.47 -0.54 0.00 -2.27 0.00 0.00 64.05 60.75 1hle n THR 276 Cb 0.69 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.88 1hle n THR 276 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1hle n LYS 277 N -0.62 0.40 -0.35 -0.78 4.81 -0.54 -4.88 118.16 116.20 1hle n LYS 277 Ca 0.00 0.14 0.13 0.00 -0.87 0.00 0.00 58.31 57.71 1hle n LYS 277 Cb 0.00 -1.58 0.32 0.00 0.02 0.00 0.00 35.03 33.80 1hle n LYS 277 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1hle h PRO 277 N 2.96 0.73 0.00 1.64 0.11 -1.93 0.18 132.00 135.69 1hle h PRO 277 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hle h PRO 277 Cb 1.40 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1hle h PRO 277 CO 0.66 0.48 -0.02 0.93 -0.21 0.00 0.00 178.00 179.85 1hle h GLU 277 N 0.75 0.00 -0.33 1.05 3.07 -1.98 -1.81 114.58 115.32 1hle h GLU 277 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 1hle h GLU 277 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1hle h GLU 277 CO -0.39 0.02 0.00 0.09 -1.40 0.00 0.00 179.01 177.33 1hle n ASN 278 N -3.62 3.37 -4.67 1.42 3.02 0.63 -4.92 115.26 110.49 1hle n ASN 278 Ca -0.03 -1.98 -0.31 0.00 -0.03 0.00 0.00 54.58 52.23 1hle n ASN 278 Cb 0.11 -0.21 -0.09 0.00 -0.61 0.00 0.00 39.78 38.98 1hle n ASN 278 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1hle s LEU 279 N -1.52 3.43 0.07 3.41 1.43 -0.68 -4.77 118.68 120.04 1hle s LEU 279 Ca 0.36 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 1hle s LEU 279 Cb 0.22 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1hle s LEU 279 CO 0.31 0.23 -0.20 -0.72 0.23 0.00 0.00 176.35 176.20 1hle s TYR 280 N -1.17 1.74 0.06 0.29 -0.85 -0.04 -4.76 117.35 112.61 1hle s TYR 280 Ca 0.22 -0.39 -0.31 0.00 -0.52 0.00 0.00 57.07 56.07 1hle s TYR 280 Cb -0.12 -1.00 -0.08 0.00 0.38 0.00 0.00 41.96 41.15 1hle s TYR 280 CO 0.13 0.13 1.57 -1.17 -1.52 0.00 0.00 175.55 174.69 1hle s LEU 281 N -1.46 4.35 0.03 -3.49 2.96 -1.26 0.12 118.68 119.92 1hle s LEU 281 Ca 0.06 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.37 1hle s LEU 281 Cb -0.09 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 1hle s LEU 281 CO 0.03 -0.83 -0.03 0.00 -1.32 0.00 0.00 176.35 174.20 1hle s ALA 282 N 2.37 0.22 -0.42 5.97 0.00 -0.13 -4.93 121.76 124.85 1hle s ALA 282 Ca 0.70 -0.71 -0.26 0.00 0.00 0.00 0.00 51.96 51.69 1hle s ALA 282 Cb -0.38 0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1hle s ALA 282 CO 0.31 -0.19 0.94 -2.00 0.00 0.00 0.00 175.76 174.82 1hle s GLU 283 N -1.90 3.70 -0.07 0.00 2.12 -1.26 -0.72 118.70 120.56 1hle s GLU 283 Ca -0.11 0.39 0.05 0.00 0.36 0.00 0.00 54.97 55.66 1hle s GLU 283 Cb -0.07 -3.86 -0.01 0.00 0.26 0.00 0.00 34.13 30.45 1hle s GLU 283 CO -0.02 -1.10 -0.23 0.08 -0.54 0.00 0.00 175.26 173.45 1hle s VAL 284 N 3.66 1.94 -0.45 3.70 1.01 0.36 -4.94 120.40 125.67 1hle s VAL 284 Ca 0.38 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 1hle s VAL 284 Cb -0.11 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.64 1hle s VAL 284 CO 0.23 0.54 0.92 0.20 0.00 0.00 0.00 175.10 176.99 1hle s ASN 285 N 0.02 6.51 -0.26 3.32 0.01 -1.26 -1.90 114.94 121.38 1hle s ASN 285 Ca -0.08 0.15 -0.07 0.00 -0.71 0.00 0.00 52.86 52.15 1hle s ASN 285 Cb -0.15 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 1hle s ASN 285 CO 0.05 -1.03 0.08 -0.69 -1.51 0.00 0.00 177.10 173.99 1hle s VAL 286 N 3.72 4.24 -0.20 1.60 1.01 0.52 -4.99 120.40 126.31 1hle s VAL 286 Ca 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1hle s VAL 286 Cb -0.10 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1hle s VAL 286 CO 0.26 0.27 -0.09 -1.00 0.00 0.00 0.00 175.10 174.53 1hle s HIS 287 N 1.59 2.89 -0.05 5.22 3.76 -1.26 -1.87 115.29 125.57 1hle s HIS 287 Ca 0.06 -1.10 -0.02 0.00 -0.15 0.00 0.00 55.06 53.85 1hle s HIS 287 Cb -0.16 -2.03 0.04 0.00 1.11 0.00 0.00 32.58 31.54 1hle s HIS 287 CO 0.03 -0.58 0.11 -1.17 -0.85 0.00 0.00 174.74 172.28 1hle s LEU 288 N 1.31 0.76 0.42 0.89 2.96 -0.66 -4.95 118.68 119.41 1hle s LEU 288 Ca 0.04 0.21 -0.25 0.00 -0.22 0.00 0.00 54.13 53.91 1hle s LEU 288 Cb -0.14 0.21 -0.08 0.00 0.50 0.00 0.00 46.19 46.68 1hle s LEU 288 CO -0.05 -0.15 1.25 -2.16 -1.32 0.00 0.00 176.35 173.92 1hle s PRO 289 N 1.25 3.89 0.00 0.98 0.04 -1.26 -0.55 135.00 139.35 1hle s PRO 289 Ca -0.08 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 1hle s PRO 289 Cb -0.12 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 1hle s PRO 289 CO -0.05 -0.51 1.22 0.50 0.04 0.00 0.00 177.00 178.20 1hle s ARG 290 N -2.38 4.38 0.14 4.56 3.52 -0.14 -4.86 118.95 124.16 1hle s ARG 290 Ca 0.59 1.74 -0.16 0.00 -0.13 0.00 0.00 55.73 57.78 1hle s ARG 290 Cb -0.35 -3.47 0.03 0.00 -1.56 0.00 0.00 34.95 29.61 1hle s ARG 290 CO 0.44 -0.37 0.40 -0.59 -0.81 0.00 0.00 175.30 174.36 1hle s PHE 291 N 1.72 -0.14 -0.05 5.12 -0.12 -0.78 -4.65 117.98 119.08 1hle s PHE 291 Ca 0.58 -0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 57.25 1hle s PHE 291 Cb -0.27 0.25 0.04 0.00 -0.63 0.00 0.00 43.02 42.40 1hle s PHE 291 CO 0.26 -0.73 0.11 0.21 -0.05 0.00 0.00 175.22 175.02 1hle s LYS 292 N -3.82 0.03 0.02 1.99 2.20 -1.26 -0.61 119.74 118.29 1hle s LYS 292 Ca 0.05 0.34 0.07 0.00 -0.36 0.00 0.00 55.97 56.06 1hle s LYS 292 Cb 0.02 -0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.08 1hle s LYS 292 CO -0.10 -0.19 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.98 1hle s LEU 293 N 1.32 2.11 -0.07 5.43 1.43 -0.17 -4.98 118.68 123.75 1hle s LEU 293 Ca -0.07 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1hle s LEU 293 Cb -0.12 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.11 1hle s LEU 293 CO -0.05 0.20 -0.00 -1.61 0.23 0.00 0.00 176.35 175.12 1hle s GLU 294 N -0.88 0.64 0.17 1.70 2.02 -1.26 -1.35 118.70 119.74 1hle s GLU 294 Ca 0.08 0.09 0.07 0.00 0.02 0.00 0.00 54.97 55.23 1hle s GLU 294 Cb -0.08 -0.99 -0.04 0.00 0.10 0.00 0.00 34.13 33.12 1hle s GLU 294 CO 0.01 -0.30 -0.14 -1.21 0.02 0.00 0.00 175.26 173.64 1hle s GLU 295 N 1.94 1.21 -0.02 1.61 0.41 -0.66 -4.99 118.70 118.21 1hle s GLU 295 Ca 0.05 -1.46 0.01 0.00 -0.41 0.00 0.00 54.97 53.15 1hle s GLU 295 Cb -0.12 -1.02 0.01 0.00 -1.78 0.00 0.00 34.13 31.22 1hle s GLU 295 CO -0.05 0.18 -0.01 -1.12 -0.49 0.00 0.00 175.26 173.76 1hle s SER 296 N -3.00 0.39 -0.00 -0.19 0.01 -1.26 -1.39 113.70 108.26 1hle s SER 296 Ca 0.17 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.41 1hle s SER 296 Cb -0.02 -0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.07 1hle s SER 296 CO 0.05 -0.04 -0.05 -0.31 0.41 0.00 0.00 173.24 173.31 1hle s TYR 297 N 0.52 0.42 -0.47 2.43 1.51 0.59 -5.01 117.35 117.32 1hle s TYR 297 Ca -0.05 -0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 55.77 1hle s TYR 297 Cb -0.08 -0.27 0.07 0.00 -0.11 0.00 0.00 41.96 41.57 1hle s TYR 297 CO -0.01 -0.01 0.41 0.34 -1.11 0.00 0.00 175.55 175.17 1hle s ASP 298 N -0.11 6.15 0.00 2.29 -1.08 -1.26 -1.23 116.67 121.43 1hle s ASP 298 Ca 0.02 -1.29 0.29 0.00 -0.52 0.00 0.00 52.55 51.04 1hle s ASP 298 Cb -0.02 -2.19 1.20 0.00 -1.46 0.00 0.00 42.92 40.45 1hle s ASP 298 CO -0.00 -0.66 1.89 0.18 0.52 0.00 0.00 175.17 177.10 1hle n LEU 299 N 5.26 0.09 -0.18 -1.34 4.77 0.34 -4.41 117.00 121.54 1hle n LEU 299 Ca -0.12 0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 56.17 1hle n LEU 299 Cb 0.44 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1hle n LEU 299 CO 0.48 0.02 0.64 0.74 -1.33 0.00 0.00 177.39 177.94 1hle h THR 300 N 0.04 0.21 -0.05 -5.08 2.02 -1.91 -0.08 112.91 108.06 1hle h THR 300 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 1hle h THR 300 Cb 0.45 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1hle h THR 300 CO 0.00 0.00 -0.66 0.77 0.37 0.00 0.00 175.52 176.00 1hle h SER 301 N -0.17 0.24 -0.60 4.18 4.64 -1.94 -0.98 113.55 118.93 1hle h SER 301 Ca 0.23 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 1hle h SER 301 Cb 0.54 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1hle h SER 301 CO -0.64 0.83 -0.00 0.45 -0.87 0.00 0.00 176.83 176.60 1hle h HIS 302 N 0.15 1.15 -0.51 4.77 -0.00 -1.63 0.91 115.15 119.99 1hle h HIS 302 Ca -0.01 -0.20 -0.12 0.00 -0.00 0.00 0.00 60.37 60.03 1hle h HIS 302 Cb 1.19 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 28.28 1hle h HIS 302 CO 0.02 1.02 -0.16 -0.07 -0.00 0.00 0.00 177.93 178.74 1hle h LEU 303 N 0.95 1.01 -0.81 2.43 3.38 -0.85 -1.18 115.31 120.25 1hle h LEU 303 Ca 0.17 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1hle h LEU 303 Cb 0.56 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1hle h LEU 303 CO 0.03 1.15 0.45 0.00 0.09 0.00 0.00 178.44 180.16 1hle h ALA 304 N 0.93 1.03 -0.10 1.53 0.00 -0.81 -0.77 119.26 121.08 1hle h ALA 304 Ca 0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1hle h ALA 304 Cb 0.73 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1hle h ALA 304 CO 0.06 0.53 -0.15 0.00 0.00 0.00 0.00 179.25 179.69 1hle h ARG 305 N 1.12 0.16 0.00 0.00 3.08 -0.50 -0.33 114.38 117.91 1hle h ARG 305 Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1hle h ARG 305 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1hle h ARG 305 CO -0.05 0.32 0.00 1.28 -1.07 0.00 0.00 179.97 180.45 1hle n LEU 306 N -4.28 0.12 0.00 3.04 4.77 -0.40 -4.85 117.00 115.39 1hle n LEU 306 Ca -0.01 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1hle n LEU 306 Cb 0.27 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1hle n LEU 306 CO 0.37 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1hle n GLY 307 N 0.99 0.86 3.42 -0.72 0.00 -0.13 -4.80 105.19 104.81 1hle n GLY 307 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 1hle n GLY 307 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hle s VAL 308 N -1.74 5.00 -0.14 1.61 1.01 -0.56 -4.80 120.40 120.79 1hle s VAL 308 Ca 0.00 -1.97 -0.12 0.00 0.00 0.00 0.00 61.98 59.89 1hle s VAL 308 Cb 0.00 -4.73 -0.06 0.00 0.00 0.00 0.00 36.38 31.60 1hle s VAL 308 CO 0.00 -1.41 -0.26 0.00 0.00 0.00 0.00 175.10 173.43 1hle n GLN 309 N 5.74 0.40 -0.02 2.72 6.02 -1.26 -3.49 117.38 127.49 1hle n GLN 309 Ca 0.24 0.17 0.04 0.00 -0.01 0.00 0.00 57.00 57.43 1hle n GLN 309 Cb 0.47 -1.19 0.42 0.00 1.02 0.00 0.00 30.24 30.96 1hle n GLN 309 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1hle h ASP 310 N -0.73 0.49 -1.00 1.08 5.19 -1.91 -2.69 116.42 116.85 1hle h ASP 310 Ca -0.18 -0.01 0.19 0.00 -0.62 0.00 0.00 57.03 56.41 1hle h ASP 310 Cb 0.98 -0.12 -0.10 0.00 0.18 0.00 0.00 39.33 40.27 1hle h ASP 310 CO -0.11 0.35 0.61 0.25 -3.12 0.00 0.00 179.24 177.23 1hle h LEU 311 N 0.57 0.76 -0.37 1.55 5.85 -1.88 -0.58 115.31 121.22 1hle h LEU 311 Ca 0.17 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1hle h LEU 311 Cb -0.01 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1hle h LEU 311 CO -0.04 0.29 -0.47 0.49 -0.34 0.00 0.00 178.44 178.37 1hle n PHE 312 N -4.72 0.00 -3.22 1.25 3.72 -1.02 -1.82 117.46 111.65 1hle n PHE 312 Ca 0.23 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.20 1hle n PHE 312 Cb 0.57 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.91 1hle n PHE 312 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1hle s ASN 313 N -2.71 6.27 0.40 4.37 3.84 -0.25 -4.77 114.94 122.09 1hle s ASN 313 Ca 0.17 -0.41 0.25 0.00 0.21 0.00 0.00 52.86 53.08 1hle s ASN 313 Cb 0.18 -2.27 1.35 0.00 -0.55 0.00 0.00 41.25 39.96 1hle s ASN 313 CO 0.63 -0.63 1.61 -0.09 -2.79 0.00 0.00 177.10 175.83 1hle h ARG 314 N 8.73 0.10 0.00 0.43 2.43 -1.88 -0.50 114.38 123.69 1hle h ARG 314 Ca -0.26 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1hle h ARG 314 Cb 1.11 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1hle h ARG 314 CO 0.83 0.06 -1.10 0.41 -1.51 0.00 0.00 179.97 178.66 1hle n GLY 314 N -1.40 -1.42 0.02 2.80 0.00 -1.26 -4.49 105.19 99.44 1hle n GLY 314 Ca 0.37 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1hle n GLY 314 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hle n LYS 315 N -2.67 0.88 -1.70 1.61 4.76 -0.65 -5.02 118.16 115.37 1hle n LYS 315 Ca -0.01 -0.09 -0.42 0.00 -2.87 0.00 0.00 58.31 54.92 1hle n LYS 315 Cb 0.58 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 32.42 1hle n LYS 315 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hle n ALA 316 N -2.11 2.42 -3.65 7.82 0.00 -0.29 -4.82 120.51 119.89 1hle n ALA 316 Ca -0.08 0.33 -0.39 0.00 0.00 0.00 0.00 53.44 53.31 1hle n ALA 316 Cb 0.51 -2.59 -0.10 0.00 0.00 0.00 0.00 19.45 17.28 1hle n ALA 316 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hle s ASP 317 N 2.35 5.52 -0.34 0.00 -1.08 -1.26 -4.82 116.67 117.04 1hle s ASP 317 Ca 0.80 -2.10 0.06 0.00 -0.52 0.00 0.00 52.55 50.80 1hle s ASP 317 Cb -0.48 -1.93 0.46 0.00 -1.46 0.00 0.00 42.92 39.51 1hle s ASP 317 CO 0.36 -0.60 1.37 0.18 0.52 0.00 0.00 175.17 177.00 1hle n LEU 318 N 4.59 4.99 0.00 -1.34 4.32 -1.26 -1.53 117.00 126.78 1hle n LEU 318 Ca -0.03 -4.43 0.12 0.00 -0.02 0.00 0.00 56.01 51.64 1hle n LEU 318 Cb 0.41 -0.51 0.55 0.00 -1.62 0.00 0.00 43.42 42.25 1hle n LEU 318 CO 0.38 1.80 0.89 -1.54 -1.22 0.00 0.00 177.39 177.69 1hle n SER 319 N -0.86 0.00 0.23 -1.43 3.41 -1.23 -1.10 113.62 112.65 1hle n SER 319 Ca 0.43 0.27 0.16 0.00 -0.26 0.00 0.00 58.87 59.46 1hle n SER 319 Cb 0.90 -0.41 0.67 0.00 -0.26 0.00 0.00 64.21 65.11 1hle n SER 319 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1hle h GLY 320 N 4.05 0.00 0.79 5.00 0.00 -1.33 0.46 103.07 112.04 1hle h GLY 320 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1hle h GLY 320 CO 0.00 0.00 -1.83 1.03 0.00 0.00 0.00 176.54 175.74 1hle n MET 321 N -2.80 0.64 0.00 4.80 2.81 -0.25 -4.47 117.12 117.84 1hle n MET 321 Ca 0.01 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1hle n MET 321 Cb 0.25 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 1hle n MET 321 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1hle n SER 322 N -2.98 0.00 0.00 7.83 3.41 -1.21 -0.95 113.62 119.72 1hle n SER 322 Ca -0.20 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1hle n SER 322 Cb 1.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 1hle n SER 322 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hle n GLY 323 N 0.00 2.12 3.26 5.00 0.00 0.16 -4.79 105.19 110.93 1hle n GLY 323 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1hle n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hle s ALA 324 N -3.22 1.54 -0.60 4.61 0.00 -1.26 -4.91 121.76 117.92 1hle s ALA 324 Ca 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 1hle s ALA 324 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1hle s ALA 324 CO 0.00 0.02 2.87 0.54 0.00 0.00 0.00 175.76 179.19 1hle n ARG 325 N 0.16 2.82 -0.04 0.00 1.74 -1.26 -3.57 116.66 116.53 1hle n ARG 325 Ca -0.13 -2.30 0.09 0.00 -0.77 0.00 0.00 57.85 54.74 1hle n ARG 325 Cb 0.59 -2.25 0.10 0.00 -1.02 0.00 0.00 32.46 29.88 1hle n ARG 325 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1hle n ASP 326 N 1.49 2.67 -4.47 0.55 5.75 -1.26 -4.92 116.55 116.35 1hle n ASP 326 Ca 0.52 -1.80 -0.27 0.00 -0.01 0.00 0.00 54.79 53.23 1hle n ASP 326 Cb 0.54 -0.05 -0.11 0.00 -1.03 0.00 0.00 41.12 40.48 1hle n ASP 326 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1hle s LEU 327 N -1.47 2.61 0.17 -2.12 1.43 -1.26 -0.41 118.68 117.63 1hle s LEU 327 Ca 0.24 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 1hle s LEU 327 Cb 0.16 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.03 1hle s LEU 327 CO 0.23 0.12 0.33 0.72 0.23 0.00 0.00 176.35 177.98 1hle s PHE 328 N -1.64 0.31 -0.32 0.29 -0.71 -0.22 -4.39 117.98 111.29 1hle s PHE 328 Ca 0.22 -0.67 -0.17 0.00 -1.04 0.00 0.00 56.93 55.27 1hle s PHE 328 Cb -0.08 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.74 1hle s PHE 328 CO 0.11 -0.76 0.47 0.08 -1.34 0.00 0.00 175.22 173.79 1hle s VAL 329 N -3.95 5.07 -0.01 -2.49 1.01 -0.75 -0.68 120.40 118.60 1hle s VAL 329 Ca 0.16 0.42 -0.20 0.00 0.00 0.00 0.00 61.98 62.36 1hle s VAL 329 Cb 0.02 -3.88 -0.27 0.00 0.00 0.00 0.00 36.38 32.26 1hle s VAL 329 CO -0.00 -0.09 1.03 0.77 0.00 0.00 0.00 175.10 176.80 1hle h SER 330 N 8.35 0.55 -4.54 3.32 4.64 -1.35 -3.37 113.55 121.16 1hle h SER 330 Ca -0.29 -0.83 -0.16 0.00 -0.47 0.00 0.00 61.79 60.05 1hle h SER 330 Cb 1.14 -0.17 -0.23 0.00 -0.31 0.00 0.00 62.40 62.83 1hle h SER 330 CO 0.73 1.32 -0.48 -0.54 -0.87 0.00 0.00 176.83 177.00 1hle s LYS 331 N -2.93 0.40 -0.23 4.77 1.02 -1.25 -4.99 119.74 116.53 1hle s LYS 331 Ca -0.13 -0.14 0.02 0.00 0.02 0.00 0.00 55.97 55.74 1hle s LYS 331 Cb 0.03 0.17 0.04 0.00 -0.52 0.00 0.00 37.83 37.55 1hle s LYS 331 CO 0.84 -0.09 -0.13 0.42 -0.92 0.00 0.00 175.35 175.47 1hle s ILE 332 N -0.82 2.22 0.03 2.17 1.01 -1.26 -1.21 121.20 123.34 1hle s ILE 332 Ca -0.09 -1.35 0.06 0.00 0.00 0.00 0.00 60.65 59.27 1hle s ILE 332 Cb -0.05 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1hle s ILE 332 CO 0.01 0.18 -0.15 0.27 0.00 0.00 0.00 174.94 175.25 1hle s ILE 333 N 1.19 3.04 -0.08 2.92 -5.25 -0.47 -0.50 121.20 122.05 1hle s ILE 333 Ca -0.03 -1.08 0.02 0.00 -0.99 0.00 0.00 60.65 58.57 1hle s ILE 333 Cb -0.17 -2.30 0.01 0.00 2.95 0.00 0.00 42.46 42.95 1hle s ILE 333 CO -0.07 0.34 -0.14 -2.28 -1.79 0.00 0.00 174.94 171.00 1hle s HIS 334 N -0.96 1.69 0.07 1.37 5.65 -0.37 -1.29 115.29 121.45 1hle s HIS 334 Ca 0.16 -0.68 0.08 0.00 0.25 0.00 0.00 55.06 54.87 1hle s HIS 334 Cb -0.11 -1.22 -0.03 0.00 -1.18 0.00 0.00 32.58 30.04 1hle s HIS 334 CO 0.06 -0.34 -0.23 0.15 -0.65 0.00 0.00 174.74 173.74 1hle s LYS 335 N 0.72 1.44 0.15 2.88 1.02 -0.52 -0.30 119.74 125.13 1hle s LYS 335 Ca -0.13 -1.07 -0.06 0.00 0.02 0.00 0.00 55.97 54.73 1hle s LYS 335 Cb -0.16 -1.64 -0.02 0.00 -0.52 0.00 0.00 37.83 35.49 1hle s LYS 335 CO 0.03 0.41 0.20 -1.54 -0.92 0.00 0.00 175.35 173.53 1hle s SER 336 N -1.44 0.14 -0.28 2.83 1.04 -0.48 -1.47 113.70 114.04 1hle s SER 336 Ca 0.09 -0.99 -0.21 0.00 0.48 0.00 0.00 55.95 55.32 1hle s SER 336 Cb -0.09 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.48 1hle s SER 336 CO 0.03 -0.83 0.73 0.12 0.98 0.00 0.00 173.24 174.27 1hle s PHE 337 N -3.99 -0.90 -0.09 5.02 2.19 -0.26 -1.65 117.98 118.30 1hle s PHE 337 Ca 0.19 1.97 -0.07 0.00 0.33 0.00 0.00 56.93 59.36 1hle s PHE 337 Cb 0.05 0.44 0.03 0.00 -1.31 0.00 0.00 43.02 42.23 1hle s PHE 337 CO 0.00 -0.44 0.23 0.54 1.83 0.00 0.00 175.22 177.38 1hle s VAL 338 N 0.96 -0.02 -0.20 3.12 0.11 -0.46 -0.60 120.40 123.33 1hle s VAL 338 Ca -0.05 0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1hle s VAL 338 Cb -0.05 -0.34 0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1hle s VAL 338 CO -0.09 0.02 -0.05 -0.62 -3.33 0.00 0.00 175.10 171.04 1hle s ASP 339 N 0.56 3.30 -0.17 3.54 2.15 0.24 -1.00 116.67 125.28 1hle s ASP 339 Ca -0.04 -0.91 -0.02 0.00 0.43 0.00 0.00 52.55 52.02 1hle s ASP 339 Cb -0.05 -1.00 -0.01 0.00 -0.30 0.00 0.00 42.92 41.56 1hle s ASP 339 CO -0.03 -0.22 -0.09 -0.22 -0.17 0.00 0.00 175.17 174.44 1hle s LEU 340 N 1.55 2.80 0.00 -1.34 0.20 0.22 -1.46 118.68 120.65 1hle s LEU 340 Ca -0.02 -0.36 0.00 0.00 0.69 0.00 0.00 54.13 54.44 1hle s LEU 340 Cb -0.17 -1.67 0.00 0.00 -0.43 0.00 0.00 46.19 43.92 1hle s LEU 340 CO -0.07 0.08 0.00 -0.46 -0.29 0.00 0.00 176.35 175.60 1hle n ASN 341 N 4.14 0.00 -0.00 3.68 0.23 -0.69 -1.87 115.26 120.75 1hle n ASN 341 Ca -0.18 -0.08 -0.04 0.00 -0.53 0.00 0.00 54.58 53.75 1hle n ASN 341 Cb 0.52 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.40 1hle n ASN 341 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1hle h GLU 342 N 0.00 0.53 0.07 -3.83 3.07 -1.99 -3.22 114.58 109.22 1hle h GLU 342 Ca 0.00 -0.20 -0.27 0.00 -0.50 0.00 0.00 59.36 58.39 1hle h GLU 342 Cb 0.00 -0.03 0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1hle h GLU 342 CO 0.00 0.73 -1.13 0.93 -1.40 0.00 0.00 179.01 178.14 1hle h GLU 343 N 0.47 0.51 0.00 2.33 4.39 -1.97 -1.55 114.58 118.76 1hle h GLU 343 Ca 0.07 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1hle h GLU 343 Cb 0.67 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1hle h GLU 343 CO 0.05 1.26 0.00 0.41 -1.16 0.00 0.00 179.01 179.57 1hle n GLY 344 N 1.23 -0.74 3.08 -3.84 0.00 -1.22 -0.53 105.19 103.18 1hle n GLY 344 Ca -0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1hle n GLY 344 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hle s THR 345 N -4.00 -0.03 -0.21 2.61 2.01 -0.85 -1.70 115.64 113.47 1hle s THR 345 Ca 0.00 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 1hle s THR 345 Cb 0.00 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.15 1hle s THR 345 CO 0.00 0.04 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.18 1hle s GLU 346 N 0.84 3.25 -0.01 4.92 2.12 -0.53 -1.79 118.70 127.49 1hle s GLU 346 Ca -0.06 -0.70 0.04 0.00 0.36 0.00 0.00 54.97 54.61 1hle s GLU 346 Cb -0.07 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.42 1hle s GLU 346 CO -0.05 -0.21 -0.13 0.00 -0.54 0.00 0.00 175.26 174.32 1hle s ALA 347 N 1.42 1.11 0.02 6.30 0.00 0.37 -0.60 121.76 130.39 1hle s ALA 347 Ca 0.05 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 1hle s ALA 347 Cb -0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1hle s ALA 347 CO -0.06 0.27 0.10 0.00 0.00 0.00 0.00 175.76 176.07 1hle s ALA 348 N -0.30 -0.16 0.16 0.00 0.00 0.24 -0.90 121.76 120.80 1hle s ALA 348 Ca 0.05 -0.36 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 1hle s ALA 348 Cb -0.05 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.28 1hle s ALA 348 CO -0.00 -0.24 0.50 0.00 0.00 0.00 0.00 175.76 176.01 1hle s ALA 349 N -1.87 -1.09 -0.13 0.00 0.00 -0.62 -1.11 121.76 116.94 1hle s ALA 349 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 51.96 51.64 1hle s ALA 349 Cb -0.05 0.81 0.05 0.00 0.00 0.00 0.00 23.12 23.92 1hle s ALA 349 CO -0.01 -0.74 0.53 0.00 0.00 0.00 0.00 175.76 175.53 1hle s ALA 350 N -3.82 -1.33 -0.06 0.00 0.00 -0.54 -1.07 121.76 114.93 1hle s ALA 350 Ca 0.05 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.29 1hle s ALA 350 Cb -0.00 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1hle s ALA 350 CO -0.08 -0.28 -0.11 0.99 0.00 0.00 0.00 175.76 176.27 1hle s THR 351 N -0.35 1.04 -0.05 0.00 2.01 -0.22 -1.44 115.64 116.63 1hle s THR 351 Ca -0.05 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 61.58 1hle s THR 351 Cb -0.03 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 1hle s THR 351 CO 0.03 0.33 -0.21 0.00 -0.69 0.00 0.00 174.62 174.09 1hle s ALA 352 N 0.71 1.87 -0.23 7.40 0.00 -0.42 -1.40 121.76 129.70 1hle s ALA 352 Ca -0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 1hle s ALA 352 Cb -0.16 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 1hle s ALA 352 CO 0.03 0.34 -0.03 0.20 0.00 0.00 0.00 175.76 176.30 1hle s GLY 353 N -0.02 1.63 -0.22 0.00 0.00 -0.52 -1.36 107.32 106.82 1hle s GLY 353 Ca -0.05 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.36 1hle s GLY 353 CO 0.03 0.45 0.16 -0.51 0.00 0.00 0.00 173.10 173.24 1hle s THR 354 N 1.48 5.38 -0.20 0.90 -4.23 -0.35 -1.42 115.64 117.20 1hle s THR 354 Ca 0.05 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 1hle s THR 354 Cb -0.15 -3.50 -0.00 0.00 1.34 0.00 0.00 72.50 70.19 1hle s THR 354 CO -0.03 0.39 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.72 1hle s ILE 355 N 0.72 3.01 0.29 2.99 -1.09 0.49 -0.94 121.20 126.68 1hle s ILE 355 Ca 0.08 -0.62 0.11 0.00 -2.23 0.00 0.00 60.65 57.99 1hle s ILE 355 Cb -0.12 -2.34 -0.05 0.00 -1.58 0.00 0.00 42.46 38.37 1hle s ILE 355 CO 0.02 0.46 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.31 1hle s LEU 356 N 1.30 2.79 0.16 2.97 1.43 0.15 -1.12 118.68 126.36 1hle s LEU 356 Ca 0.04 -0.95 -0.32 0.00 -1.03 0.00 0.00 54.13 51.87 1hle s LEU 356 Cb -0.14 -1.26 -0.11 0.00 0.03 0.00 0.00 46.19 44.71 1hle s LEU 356 CO -0.05 -0.03 1.68 -0.76 0.23 0.00 0.00 176.35 177.43 1hle s LEU 357 N -3.58 4.37 0.00 1.79 1.43 -1.13 -1.05 118.68 120.51 1hle s LEU 357 Ca 0.31 2.72 0.24 0.00 -1.03 0.00 0.00 54.13 56.37 1hle s LEU 357 Cb -0.04 -3.59 1.41 0.00 0.03 0.00 0.00 46.19 44.00 1hle s LEU 357 CO 0.17 -0.92 1.78 0.00 0.23 0.00 0.00 176.35 177.61