#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5a s LEU 2 N 0.00 3.86 -0.06 1.08 1.43 -1.26 -4.99 118.68 118.75 1h5a s LEU 2 Ca 0.00 2.11 -0.06 0.00 -1.03 0.00 0.00 54.13 55.15 1h5a s LEU 2 Cb 0.00 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.76 1h5a s LEU 2 CO 0.00 -0.96 0.16 0.28 0.23 0.00 0.00 176.35 176.06 1h5a s THR 3 N -1.78 0.01 0.54 5.49 -1.32 -0.16 -4.72 115.64 113.69 1h5a s THR 3 Ca 0.68 -0.07 0.36 0.00 -1.21 0.00 0.00 61.69 61.45 1h5a s THR 3 Cb -0.22 -0.25 0.39 0.00 -1.51 0.00 0.00 72.50 70.90 1h5a s THR 3 CO 0.26 -0.04 2.24 -0.65 -2.21 0.00 0.00 174.62 174.23 1h5a h PRO 4 N 5.73 0.00 -0.32 7.08 0.11 -1.84 0.87 132.00 143.63 1h5a h PRO 4 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1h5a h PRO 4 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1h5a h PRO 4 CO 0.41 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.47 1h5a n THR 5 N -3.40 0.41 -0.35 -1.15 -2.24 -1.26 -4.60 114.28 101.69 1h5a n THR 5 Ca -0.02 -0.55 0.28 0.00 -2.27 0.00 0.00 64.05 61.49 1h5a n THR 5 Cb 0.13 0.54 0.54 0.00 -2.10 0.00 0.00 70.33 69.44 1h5a n THR 5 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1h5a h PHE 6 N 3.05 0.82 -0.45 4.78 3.57 -1.78 -0.60 116.94 126.34 1h5a h PHE 6 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1h5a h PHE 6 Cb 0.68 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1h5a h PHE 6 CO 0.21 -0.25 0.00 0.66 -2.23 0.00 0.00 178.31 176.69 1h5a n TYR 7 N -5.03 0.72 0.32 0.41 4.01 -1.26 -4.62 117.16 111.71 1h5a n TYR 7 Ca 0.34 -0.55 0.22 0.00 -0.16 0.00 0.00 57.90 57.75 1h5a n TYR 7 Cb 1.14 -0.07 1.14 0.00 -0.31 0.00 0.00 39.34 41.24 1h5a n TYR 7 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1h5a h ASP 8 N 2.67 0.00 0.00 7.72 3.32 -1.36 0.44 116.42 129.21 1h5a h ASP 8 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 1h5a h ASP 8 Cb 0.93 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 1h5a h ASP 8 CO 0.05 0.00 -1.90 0.59 -1.72 0.00 0.00 179.24 176.25 1h5a n ASN 9 N -3.00 2.27 0.10 6.45 3.02 -1.26 -4.26 115.26 118.58 1h5a n ASN 9 Ca -0.03 0.01 -0.03 0.00 -0.03 0.00 0.00 54.58 54.50 1h5a n ASN 9 Cb 0.08 -0.33 -0.00 0.00 -0.61 0.00 0.00 39.78 38.92 1h5a n ASN 9 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1h5a h SER 10 N -0.19 0.00 -0.12 6.41 4.64 -1.82 -3.41 113.55 119.06 1h5a h SER 10 Ca -0.37 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.71 1h5a h SER 10 Cb 1.49 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.42 1h5a h SER 10 CO -0.12 0.77 -0.52 0.00 -0.87 0.00 0.00 176.83 176.09 1h5a h PRO 12 N 3.90 0.00 -0.63 0.00 0.13 -1.59 -2.53 132.00 131.28 1h5a h PRO 12 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1h5a h PRO 12 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1h5a h PRO 12 CO 0.32 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.18 1h5a n ASN 13 N -3.82 5.10 -0.10 1.44 4.13 -1.26 -4.57 115.26 116.17 1h5a n ASN 13 Ca -0.00 -2.64 -0.09 0.00 1.68 0.00 0.00 54.58 53.53 1h5a n ASN 13 Cb 0.24 -0.62 -0.01 0.00 -1.54 0.00 0.00 39.78 37.84 1h5a n ASN 13 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1h5a h VAL 14 N 3.99 1.13 -0.61 2.41 3.04 -1.81 -1.67 116.25 122.72 1h5a h VAL 14 Ca 0.00 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 65.33 1h5a h VAL 14 Cb 1.66 0.75 -0.03 0.00 -2.01 0.00 0.00 31.29 31.66 1h5a h VAL 14 CO 0.34 0.13 0.27 -1.28 -1.01 0.00 0.00 177.57 176.03 1h5a h SER 15 N 0.42 0.79 -0.40 3.17 0.87 -1.85 -1.36 113.55 115.19 1h5a h SER 15 Ca 0.12 -0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.46 1h5a h SER 15 Cb 0.05 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1h5a h SER 15 CO -0.02 0.69 -0.25 0.78 -0.53 0.00 0.00 176.83 177.51 1h5a h ASN 16 N 0.87 0.95 -0.34 6.23 2.35 -1.82 -0.98 115.58 122.84 1h5a h ASN 16 Ca 0.21 -0.37 -0.11 0.00 -0.55 0.00 0.00 56.30 55.48 1h5a h ASN 16 Cb 0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1h5a h ASN 16 CO -0.02 1.14 -0.20 0.40 -1.65 0.00 0.00 177.43 177.10 1h5a h ILE 17 N 0.79 1.27 -0.22 2.81 2.04 -0.91 -1.14 117.51 122.14 1h5a h ILE 17 Ca 0.10 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1h5a h ILE 17 Cb 0.81 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1h5a h ILE 17 CO 0.07 0.44 -0.01 0.58 0.00 0.00 0.00 178.15 179.23 1h5a h VAL 18 N 0.72 1.26 -0.23 1.67 2.07 -1.12 -2.55 116.25 118.07 1h5a h VAL 18 Ca 0.10 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1h5a h VAL 18 Cb 0.72 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1h5a h VAL 18 CO 0.06 0.29 0.10 -0.09 0.02 0.00 0.00 177.57 177.94 1h5a h ARG 19 N 0.16 0.21 -0.88 1.57 2.43 -1.03 -2.28 114.38 114.56 1h5a h ARG 19 Ca 0.06 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1h5a h ARG 19 Cb 0.43 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.87 1h5a h ARG 19 CO 0.01 0.14 0.54 -0.44 -1.51 0.00 0.00 179.97 178.72 1h5a h ASP 20 N 0.22 0.84 -0.49 -3.80 3.32 -1.17 -0.16 116.42 115.18 1h5a h ASP 20 Ca 0.10 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1h5a h ASP 20 Cb 0.04 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1h5a h ASP 20 CO -0.08 0.52 0.27 0.74 -1.72 0.00 0.00 179.24 178.97 1h5a h THR 21 N 0.97 1.17 -0.45 0.35 2.02 -1.04 -2.05 112.91 113.88 1h5a h THR 21 Ca 0.39 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 1h5a h THR 21 Cb 0.22 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1h5a h THR 21 CO -0.19 0.18 -0.29 0.40 0.37 0.00 0.00 175.52 175.99 1h5a h ILE 22 N 0.65 1.27 -0.49 3.11 2.04 -0.86 -1.88 117.51 121.35 1h5a h ILE 22 Ca 0.17 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.60 1h5a h ILE 22 Cb 0.04 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1h5a h ILE 22 CO -0.03 0.50 0.28 0.58 0.00 0.00 0.00 178.15 179.48 1h5a h VAL 23 N 0.83 1.03 -0.15 1.67 2.07 -0.87 0.17 116.25 120.99 1h5a h VAL 23 Ca 0.09 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1h5a h VAL 23 Cb 0.88 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1h5a h VAL 23 CO 0.08 0.10 0.04 0.78 0.02 0.00 0.00 177.57 178.60 1h5a h ASN 24 N 0.56 0.23 -0.55 0.57 2.35 -1.29 -3.06 115.58 114.39 1h5a h ASN 24 Ca 0.20 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1h5a h ASN 24 Cb 0.04 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1h5a h ASN 24 CO -0.10 0.38 0.30 -0.08 -1.65 0.00 0.00 177.43 176.27 1h5a h GLU 25 N 0.06 0.80 -0.06 0.81 4.57 -1.06 -2.51 114.58 117.20 1h5a h GLU 25 Ca 0.05 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1h5a h GLU 25 Cb 0.24 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1h5a h GLU 25 CO -0.00 0.60 0.06 -0.07 -1.18 0.00 0.00 179.01 178.42 1h5a h LEU 26 N 0.80 0.00 -0.96 1.64 3.38 -0.86 0.74 115.31 120.06 1h5a h LEU 26 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1h5a h LEU 26 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1h5a h LEU 26 CO -0.03 0.00 -0.05 0.03 0.09 0.00 0.00 178.44 178.48 1h5a h ARG 27 N 0.00 0.70 0.00 1.13 3.08 -1.48 -3.12 114.38 114.70 1h5a h ARG 27 Ca 0.03 -0.20 -0.19 0.00 0.07 0.00 0.00 59.98 59.69 1h5a h ARG 27 Cb 0.14 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1h5a h ARG 27 CO -0.00 0.75 -2.05 -1.13 -1.07 0.00 0.00 179.97 176.47 1h5a n SER 28 N -4.21 0.17 -3.58 7.04 3.41 -0.80 -4.79 113.62 110.87 1h5a n SER 28 Ca 0.02 0.07 -0.29 0.00 -0.26 0.00 0.00 58.87 58.41 1h5a n SER 28 Cb 0.31 1.21 -0.13 0.00 -0.26 0.00 0.00 64.21 65.34 1h5a n SER 28 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h5a s ASP 29 N -5.18 3.38 0.00 4.04 2.15 0.19 -4.99 116.67 116.26 1h5a s ASP 29 Ca -0.08 -2.08 0.08 0.00 0.43 0.00 0.00 52.55 50.89 1h5a s ASP 29 Cb 0.10 -0.62 0.36 0.00 -0.30 0.00 0.00 42.92 42.46 1h5a s ASP 29 CO 0.86 -0.33 1.19 -0.81 -0.17 0.00 0.00 175.17 175.90 1h5a n PRO 30 N 4.21 0.05 0.02 4.34 -0.04 -1.18 -2.24 135.00 140.16 1h5a n PRO 30 Ca 0.06 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 1h5a n PRO 30 Cb 0.38 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.40 1h5a n PRO 30 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1h5a n ARG 31 N -1.41 0.19 -0.15 0.54 0.63 -1.26 -4.50 116.66 110.70 1h5a n ARG 31 Ca 0.03 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.08 1h5a n ARG 31 Cb 0.08 -1.57 0.45 0.00 0.45 0.00 0.00 32.46 31.87 1h5a n ARG 31 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1h5a h ILE 32 N 0.00 0.89 -0.24 5.15 6.09 -1.81 -1.83 117.51 125.76 1h5a h ILE 32 Ca 0.00 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 63.30 1h5a h ILE 32 Cb 0.65 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 38.25 1h5a h ILE 32 CO 0.00 0.10 0.10 0.00 -3.07 0.00 0.00 178.15 175.27 1h5a h ALA 33 N 1.65 0.31 -0.45 0.18 0.00 -1.83 -0.63 119.26 118.50 1h5a h ALA 33 Ca 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1h5a h ALA 33 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1h5a h ALA 33 CO -0.11 -0.09 0.22 0.00 0.00 0.00 0.00 179.25 179.27 1h5a h ALA 34 N 0.94 0.57 -0.98 0.00 0.00 -1.74 -2.26 119.26 115.79 1h5a h ALA 34 Ca 0.08 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1h5a h ALA 34 Cb 0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1h5a h ALA 34 CO -0.01 0.12 0.65 0.77 0.00 0.00 0.00 179.25 180.79 1h5a h SER 35 N 0.58 1.12 -0.43 0.00 0.02 -1.10 -2.19 113.55 111.56 1h5a h SER 35 Ca 0.15 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.93 1h5a h SER 35 Cb 0.10 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1h5a h SER 35 CO -0.02 0.81 -0.31 0.40 -1.14 0.00 0.00 176.83 176.56 1h5a h ILE 36 N 1.32 1.27 -0.88 3.27 2.04 -0.91 -2.00 117.51 121.62 1h5a h ILE 36 Ca 0.36 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1h5a h ILE 36 Cb -0.14 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1h5a h ILE 36 CO -0.08 0.50 0.57 0.25 0.00 0.00 0.00 178.15 179.39 1h5a h LEU 37 N 0.80 1.03 -0.97 1.44 5.85 -1.12 -2.20 115.31 120.15 1h5a h LEU 37 Ca 0.08 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1h5a h LEU 37 Cb 0.90 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1h5a h LEU 37 CO 0.08 0.76 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.72 1h5a h ARG 38 N 1.20 0.60 -0.85 1.25 2.43 -1.20 -2.31 114.38 115.50 1h5a h ARG 38 Ca 0.32 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1h5a h ARG 38 Cb -0.11 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 1h5a h ARG 38 CO -0.07 0.72 0.50 -0.07 -1.51 0.00 0.00 179.97 179.54 1h5a h LEU 39 N 0.54 1.03 -0.57 3.80 3.38 -0.75 0.33 115.31 123.08 1h5a h LEU 39 Ca 0.09 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1h5a h LEU 39 Cb 0.55 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1h5a h LEU 39 CO 0.04 0.81 0.12 -0.74 0.09 0.00 0.00 178.44 178.75 1h5a h HIS 40 N 1.17 0.99 -0.05 1.13 2.76 -1.15 0.04 115.15 120.03 1h5a h HIS 40 Ca 0.30 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1h5a h HIS 40 Cb -0.03 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.66 1h5a h HIS 40 CO 0.00 0.85 0.04 0.35 -1.30 0.00 0.00 177.93 177.87 1h5a h PHE 41 N 0.83 0.07 0.00 5.26 3.57 -0.92 -0.61 116.94 125.14 1h5a h PHE 41 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1h5a h PHE 41 Cb 0.38 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1h5a h PHE 41 CO 0.03 0.05 -0.05 0.45 -2.23 0.00 0.00 178.31 176.56 1h5a h HIS 42 N 0.07 0.00 0.04 0.41 3.86 -0.69 -2.02 115.15 116.81 1h5a h HIS 42 Ca 0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1h5a h HIS 42 Cb -0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1h5a h HIS 42 CO -0.07 0.05 -0.02 0.22 0.86 0.00 0.00 177.93 178.97 1h5a h ASP 43 N 0.00 -0.04 0.11 2.45 3.58 -0.27 -3.34 116.42 118.91 1h5a h ASP 43 Ca -0.00 -0.65 -0.03 0.00 0.42 0.00 0.00 57.03 56.77 1h5a h ASP 43 Cb 0.39 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 1h5a h ASP 43 CO 0.01 0.68 -0.12 0.00 -2.88 0.00 0.00 179.24 176.93 1h5a n PHE 45 N -4.38 0.00 -3.71 0.00 3.01 -0.78 -2.96 117.46 108.64 1h5a n PHE 45 Ca -0.02 -0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.14 1h5a n PHE 45 Cb 0.20 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.52 1h5a n PHE 45 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1h5a s VAL 46 N -2.00 0.79 -1.36 -4.37 1.01 -0.96 -4.71 120.40 108.80 1h5a s VAL 46 Ca 0.42 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1h5a s VAL 46 Cb 0.19 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1h5a s VAL 46 CO 0.33 -0.70 0.00 -3.20 0.00 0.00 0.00 175.10 171.52 1h5a n ASN 47 N 4.81 -5.02 0.00 3.32 5.15 -1.26 -4.75 115.26 117.51 1h5a n ASN 47 Ca -0.02 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 1h5a n ASN 47 Cb 0.42 -3.64 0.00 0.00 -0.53 0.00 0.00 39.78 36.02 1h5a n ASN 47 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h5a n GLY 48 N -0.78 -0.59 3.55 8.20 0.00 -1.16 -4.65 105.19 109.76 1h5a n GLY 48 Ca -0.13 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1h5a n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5a n ASP 50 N 8.35 1.33 -1.67 0.00 5.75 -1.26 -4.74 116.55 124.30 1h5a n ASP 50 Ca 0.35 -2.32 -0.21 0.00 -0.01 0.00 0.00 54.79 52.60 1h5a n ASP 50 Cb 0.49 -0.23 -0.08 0.00 -1.03 0.00 0.00 41.12 40.27 1h5a n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h5a n ALA 51 N -0.68 -0.34 0.10 2.12 0.00 -1.26 -1.01 120.51 119.43 1h5a n ALA 51 Ca 0.07 0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.86 1h5a n ALA 51 Cb 0.57 -2.06 0.41 0.00 0.00 0.00 0.00 19.45 18.37 1h5a n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h5a h SER 52 N 0.00 0.27 0.50 0.00 4.64 -1.86 -2.19 113.55 114.91 1h5a h SER 52 Ca -0.43 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 1h5a h SER 52 Cb 1.35 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1h5a h SER 52 CO 0.62 0.35 -0.08 -0.29 -0.87 0.00 0.00 176.83 176.56 1h5a h ILE 53 N 0.29 0.34 0.00 0.95 2.10 -1.89 -2.76 117.51 116.55 1h5a h ILE 53 Ca 0.07 -0.49 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1h5a h ILE 53 Cb 0.25 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 1h5a h ILE 53 CO 0.01 0.08 0.00 0.18 -1.08 0.00 0.00 178.15 177.34 1h5a n LEU 54 N -3.40 0.79 -4.76 2.19 4.77 -0.82 -4.60 117.00 111.18 1h5a n LEU 54 Ca -0.01 0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 56.14 1h5a n LEU 54 Cb 0.24 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1h5a n LEU 54 CO 0.28 -0.19 0.88 -0.76 -1.33 0.00 0.00 177.39 176.27 1h5a s LEU 55 N -4.50 4.49 0.62 2.23 1.43 -1.04 -4.00 118.68 117.91 1h5a s LEU 55 Ca 0.11 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1h5a s LEU 55 Cb 0.12 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.78 1h5a s LEU 55 CO 0.59 -0.32 0.87 -1.81 0.23 0.00 0.00 176.35 175.90 1h5a s ASP 56 N -0.60 4.90 0.58 2.29 1.01 -0.35 -4.47 116.67 120.03 1h5a s ASP 56 Ca 0.47 -0.14 -0.20 0.00 0.71 0.00 0.00 52.55 53.39 1h5a s ASP 56 Cb -0.35 -0.53 -0.04 0.00 1.01 0.00 0.00 42.92 43.00 1h5a s ASP 56 CO 0.45 -1.44 1.19 0.59 0.21 0.00 0.00 175.17 176.17 1h5a n ASN 57 N -2.55 1.80 -4.14 0.27 3.02 -1.26 -4.65 115.26 107.75 1h5a n ASN 57 Ca 0.11 0.89 -0.10 0.00 -0.03 0.00 0.00 54.58 55.44 1h5a n ASN 57 Cb 0.60 -1.49 -0.09 0.00 -0.61 0.00 0.00 39.78 38.18 1h5a n ASN 57 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1h5a s THR 58 N -1.38 0.06 -0.73 3.41 -4.23 -0.97 -4.99 115.64 106.82 1h5a s THR 58 Ca 0.75 -1.86 0.22 0.00 -1.18 0.00 0.00 61.69 59.63 1h5a s THR 58 Cb -0.42 -2.16 0.22 0.00 1.34 0.00 0.00 72.50 71.48 1h5a s THR 58 CO 0.47 -0.29 1.68 0.35 -0.54 0.00 0.00 174.62 176.29 1h5a n THR 59 N -0.17 0.73 -0.04 3.99 -2.24 -1.26 -3.32 114.28 111.98 1h5a n THR 59 Ca -0.03 0.11 0.05 0.00 -2.27 0.00 0.00 64.05 61.91 1h5a n THR 59 Cb 0.64 -0.93 -0.17 0.00 -2.10 0.00 0.00 70.33 67.77 1h5a n THR 59 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1h5a n SER 60 N -1.95 0.01 -3.80 3.42 3.41 -1.26 -4.99 113.62 108.46 1h5a n SER 60 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1h5a n SER 60 Cb 0.26 1.68 -0.10 0.00 -0.26 0.00 0.00 64.21 65.79 1h5a n SER 60 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1h5a s PHE 61 N -3.21 -0.18 0.38 7.33 -0.12 -1.21 -5.14 117.98 115.83 1h5a s PHE 61 Ca -0.09 0.39 -0.14 0.00 -0.05 0.00 0.00 56.93 57.05 1h5a s PHE 61 Cb 0.12 0.07 -0.08 0.00 -0.63 0.00 0.00 43.02 42.49 1h5a s PHE 61 CO 0.88 -0.25 0.79 1.03 -0.05 0.00 0.00 175.22 177.63 1h5a s ARG 62 N -0.64 3.93 0.36 1.99 1.81 -1.26 -2.28 118.95 122.86 1h5a s ARG 62 Ca -0.07 0.65 -0.25 0.00 -1.72 0.00 0.00 55.73 54.34 1h5a s ARG 62 Cb -0.04 -2.37 -0.10 0.00 -0.45 0.00 0.00 34.95 31.99 1h5a s ARG 62 CO 0.02 0.03 0.96 -0.08 -0.68 0.00 0.00 175.30 175.55 1h5a s THR 63 N -2.21 4.16 -0.73 0.02 -1.32 -1.26 -4.16 115.64 110.15 1h5a s THR 63 Ca 0.54 1.67 0.20 0.00 -1.21 0.00 0.00 61.69 62.89 1h5a s THR 63 Cb -0.10 -3.87 0.19 0.00 -1.51 0.00 0.00 72.50 67.21 1h5a s THR 63 CO 0.24 0.03 1.61 -0.62 -2.21 0.00 0.00 174.62 173.66 1h5a n GLU 64 N 0.22 0.11 0.21 7.08 1.02 -1.26 -2.62 120.64 125.39 1h5a n GLU 64 Ca 0.03 0.33 0.15 0.00 -0.02 0.00 0.00 57.16 57.65 1h5a n GLU 64 Cb 0.51 -1.70 0.70 0.00 -0.02 0.00 0.00 31.44 30.93 1h5a n GLU 64 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1h5a h LYS 65 N 0.00 0.00 -0.69 3.49 1.57 -1.85 -1.40 116.57 117.70 1h5a h LYS 65 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h5a h LYS 65 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1h5a h LYS 65 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1h5a n ASP 66 N -2.54 4.48 -4.80 0.86 8.00 -1.08 -2.34 116.55 119.13 1h5a n ASP 66 Ca -0.00 -2.30 -0.32 0.00 0.71 0.00 0.00 54.79 52.88 1h5a n ASP 66 Cb 0.14 -0.55 0.03 0.00 -0.02 0.00 0.00 41.12 40.72 1h5a n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h5a s ALA 67 N -1.58 2.69 0.46 2.24 0.00 -0.53 -4.69 121.76 120.35 1h5a s ALA 67 Ca 0.50 0.30 0.14 0.00 0.00 0.00 0.00 51.96 52.90 1h5a s ALA 67 Cb 0.30 -3.22 1.08 0.00 0.00 0.00 0.00 23.12 21.28 1h5a s ALA 67 CO 0.27 -1.00 2.04 0.74 0.00 0.00 0.00 175.76 177.81 1h5a h PHE 68 N -0.00 0.31 -0.00 0.00 0.04 -1.91 0.13 116.94 115.51 1h5a h PHE 68 Ca -0.46 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1h5a h PHE 68 Cb 1.22 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1h5a h PHE 68 CO 0.59 0.17 -0.24 0.41 -0.60 0.00 0.00 178.31 178.65 1h5a n GLY 69 N -1.53 -1.21 0.13 -1.45 0.00 -1.26 -4.33 105.19 95.54 1h5a n GLY 69 Ca 0.05 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1h5a n GLY 69 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h5a n ASN 70 N -1.31 2.86 -4.66 1.61 3.02 -0.45 -4.51 115.26 111.82 1h5a n ASN 70 Ca 0.09 -0.03 -0.46 0.00 -0.03 0.00 0.00 54.58 54.14 1h5a n ASN 70 Cb 0.32 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 1h5a n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h5a n ALA 71 N -2.90 0.97 -3.98 5.41 0.00 0.33 -0.33 120.51 120.01 1h5a n ALA 71 Ca -0.19 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.36 1h5a n ALA 71 Cb 0.70 -2.28 -0.00 0.00 0.00 0.00 0.00 19.45 17.86 1h5a n ALA 71 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1h5a n ASN 72 N 2.80 -3.95 0.20 0.00 5.15 -1.26 -4.65 115.26 113.54 1h5a n ASN 72 Ca 0.15 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.30 1h5a n ASN 72 Cb 0.29 -3.20 0.00 0.00 -0.53 0.00 0.00 39.78 36.33 1h5a n ASN 72 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1h5a n SER 73 N -2.65 -2.65 -4.76 1.20 2.88 -0.61 -5.11 113.62 101.91 1h5a n SER 73 Ca 0.05 0.74 -0.39 0.00 -1.33 0.00 0.00 58.87 57.94 1h5a n SER 73 Cb 0.51 2.55 0.01 0.00 -0.75 0.00 0.00 64.21 66.53 1h5a n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h5a s ALA 74 N -2.00 3.11 0.25 -1.46 0.00 0.55 -5.01 121.76 117.20 1h5a s ALA 74 Ca 0.00 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.02 1h5a s ALA 74 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1h5a s ALA 74 CO 0.00 -0.93 0.55 -0.98 0.00 0.00 0.00 175.76 174.40 1h5a s ARG 75 N -2.48 1.61 0.00 0.00 1.70 -1.26 -4.96 118.95 113.56 1h5a s ARG 75 Ca 0.61 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 1h5a s ARG 75 Cb -0.37 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.52 1h5a s ARG 75 CO 0.46 -0.69 0.00 0.41 -1.08 0.00 0.00 175.30 174.40 1h5a n GLY 76 N -0.40 0.59 0.34 3.88 0.00 -1.26 -4.59 105.19 103.74 1h5a n GLY 76 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1h5a n GLY 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1h5a h PHE 77 N 0.00 0.98 -0.06 1.61 0.04 -1.98 -1.30 116.94 116.24 1h5a h PHE 77 Ca 0.00 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 1h5a h PHE 77 Cb 0.00 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 1h5a h PHE 77 CO 0.00 0.33 -0.27 -1.35 -0.60 0.00 0.00 178.31 176.42 1h5a h PRO 78 N 0.83 0.10 -0.39 1.51 0.11 -1.99 -2.00 132.00 130.17 1h5a h PRO 78 Ca 0.48 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.45 1h5a h PRO 78 Cb 0.56 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 1h5a h PRO 78 CO -0.30 0.37 -0.20 0.28 -0.21 0.00 0.00 178.00 177.94 1h5a h VAL 79 N 0.09 1.27 -0.42 3.15 2.07 -1.67 -1.16 116.25 119.57 1h5a h VAL 79 Ca 0.01 -1.29 -0.11 0.00 0.82 0.00 0.00 66.70 66.14 1h5a h VAL 79 Cb 0.54 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1h5a h VAL 79 CO 0.04 0.43 -0.17 0.40 0.02 0.00 0.00 177.57 178.29 1h5a h ILE 80 N 0.66 1.27 -0.76 4.57 1.08 -1.03 -2.17 117.51 121.12 1h5a h ILE 80 Ca 0.10 -1.26 -0.03 0.00 -0.39 0.00 0.00 64.86 63.28 1h5a h ILE 80 Cb 0.69 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.53 1h5a h ILE 80 CO 0.05 0.43 0.38 0.44 -0.69 0.00 0.00 178.15 178.76 1h5a h ASP 81 N 0.71 0.99 0.10 1.72 3.32 -0.91 -0.99 116.42 121.35 1h5a h ASP 81 Ca 0.11 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1h5a h ASP 81 Cb 0.67 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1h5a h ASP 81 CO 0.05 0.84 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.27 1h5a h ARG 82 N 1.07 -0.13 -0.27 3.56 2.43 -0.87 -1.05 114.38 119.13 1h5a h ARG 82 Ca 0.26 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1h5a h ARG 82 Cb 0.10 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1h5a h ARG 82 CO -0.03 -0.01 -0.18 0.00 -1.51 0.00 0.00 179.97 178.23 1h5a h MET 83 N -0.21 0.48 -0.43 0.20 -0.00 -1.29 -1.99 114.93 111.69 1h5a h MET 83 Ca -0.01 -0.15 -0.01 0.00 -0.00 0.00 0.00 59.70 59.52 1h5a h MET 83 Cb 0.17 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 31.71 1h5a h MET 83 CO 0.02 0.64 0.22 -0.22 -0.00 0.00 0.00 176.91 177.58 1h5a h LYS 84 N 0.43 0.60 -0.77 -0.10 1.63 -0.96 0.43 116.57 117.83 1h5a h LYS 84 Ca 0.07 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1h5a h LYS 84 Cb 0.57 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 1h5a h LYS 84 CO 0.04 0.50 0.45 0.00 -3.45 0.00 0.00 179.45 176.99 1h5a h ALA 85 N 1.07 0.98 -0.55 5.00 0.00 -0.91 0.15 119.26 125.00 1h5a h ALA 85 Ca 0.15 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1h5a h ALA 85 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1h5a h ALA 85 CO -0.02 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.68 1h5a h ALA 86 N 1.24 0.93 -0.14 0.00 0.00 -0.96 -1.56 119.26 118.77 1h5a h ALA 86 Ca 0.28 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1h5a h ALA 86 Cb -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1h5a h ALA 86 CO -0.05 0.64 -0.63 0.28 0.00 0.00 0.00 179.25 179.49 1h5a h VAL 87 N 0.88 1.34 -0.21 0.00 2.07 -0.48 -2.16 116.25 117.68 1h5a h VAL 87 Ca 0.16 -1.93 -0.06 0.00 0.82 0.00 0.00 66.70 65.69 1h5a h VAL 87 Cb 0.53 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1h5a h VAL 87 CO 0.03 0.59 -0.13 -0.33 0.02 0.00 0.00 177.57 177.75 1h5a h GLU 88 N 0.37 0.35 -0.19 1.57 4.39 -0.46 0.34 114.58 120.95 1h5a h GLU 88 Ca -0.01 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 1h5a h GLU 88 Cb 1.19 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1h5a h GLU 88 CO 0.11 0.48 -0.20 1.03 -1.16 0.00 0.00 179.01 179.28 1h5a h SER 89 N 0.33 0.50 -0.24 1.42 0.87 -1.09 -1.83 113.55 113.51 1h5a h SER 89 Ca 0.06 -0.48 -0.08 0.00 -1.23 0.00 0.00 61.79 60.06 1h5a h SER 89 Cb 0.43 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1h5a h SER 89 CO 0.02 0.88 -0.18 0.00 -0.53 0.00 0.00 176.83 177.02 1h5a h ALA 90 N 0.64 0.34 -2.42 6.23 0.00 -1.04 -3.40 119.26 119.61 1h5a h ALA 90 Ca 0.03 -0.34 -0.55 0.00 0.00 0.00 0.00 54.91 54.05 1h5a h ALA 90 Cb 0.74 -0.08 -0.37 0.00 0.00 0.00 0.00 17.79 18.08 1h5a h ALA 90 CO 0.05 0.26 -0.85 0.00 0.00 0.00 0.00 179.25 178.70 1h5a n PRO 92 N 3.77 1.29 -4.22 0.00 -0.02 -0.69 -3.07 135.00 132.06 1h5a n PRO 92 Ca 0.16 0.46 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 1h5a n PRO 92 Cb 0.41 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1h5a n PRO 92 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1h5a n ARG 93 N 1.92 -2.62 -0.02 -0.52 1.74 -1.26 -4.86 116.66 111.04 1h5a n ARG 93 Ca 0.15 0.32 -0.05 0.00 -0.77 0.00 0.00 57.85 57.50 1h5a n ARG 93 Cb 0.25 -4.76 -0.02 0.00 -1.02 0.00 0.00 32.46 26.91 1h5a n ARG 93 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1h5a n THR 94 N -4.37 0.23 -3.37 0.55 -1.04 -1.17 -4.99 114.28 100.12 1h5a n THR 94 Ca -0.04 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.52 1h5a n THR 94 Cb 0.55 -1.53 -0.08 0.00 -1.82 0.00 0.00 70.33 67.44 1h5a n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1h5a s VAL 95 N -2.08 5.17 0.71 12.58 1.01 -1.26 -5.04 120.40 131.50 1h5a s VAL 95 Ca -0.06 0.66 -0.13 0.00 0.00 0.00 0.00 61.98 62.45 1h5a s VAL 95 Cb 0.02 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1h5a s VAL 95 CO 0.07 0.18 1.11 -0.94 0.00 0.00 0.00 175.10 175.53 1h5a s SER 96 N 1.41 4.73 0.30 3.32 1.04 -1.26 -4.81 113.70 118.43 1h5a s SER 96 Ca 0.17 1.98 0.04 0.00 0.48 0.00 0.00 55.95 58.63 1h5a s SER 96 Cb -0.15 -2.55 0.46 0.00 0.10 0.00 0.00 66.02 63.89 1h5a s SER 96 CO 0.09 -1.88 1.74 0.00 0.98 0.00 0.00 173.24 174.16 1h5a h ALA 98 N 1.36 0.57 -0.30 0.00 0.00 -1.86 -0.36 119.26 118.68 1h5a h ALA 98 Ca 0.05 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1h5a h ALA 98 Cb 0.67 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1h5a h ALA 98 CO 0.05 0.04 -0.43 -0.44 0.00 0.00 0.00 179.25 178.47 1h5a h ASP 99 N 0.61 0.91 -0.50 0.00 3.32 -1.75 -2.58 116.42 116.43 1h5a h ASP 99 Ca 0.16 -0.51 0.06 0.00 0.02 0.00 0.00 57.03 56.77 1h5a h ASP 99 Cb -0.04 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.20 1h5a h ASP 99 CO -0.03 1.23 0.20 0.25 -1.72 0.00 0.00 179.24 179.17 1h5a h LEU 100 N 0.60 0.24 -1.05 1.55 5.85 -0.82 0.02 115.31 121.71 1h5a h LEU 100 Ca 0.03 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1h5a h LEU 100 Cb 1.03 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1h5a h LEU 100 CO 0.10 0.17 -0.19 0.25 -0.34 0.00 0.00 178.44 178.43 1h5a h LEU 101 N 0.40 0.45 -0.28 2.25 5.85 -1.04 -0.05 115.31 122.89 1h5a h LEU 101 Ca 0.23 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1h5a h LEU 101 Cb 0.22 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1h5a h LEU 101 CO -0.21 0.65 -0.04 0.74 -0.34 0.00 0.00 178.44 179.24 1h5a h THR 102 N 0.41 1.27 -0.64 1.05 2.02 -0.90 -1.26 112.91 114.87 1h5a h THR 102 Ca 0.07 -1.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.16 1h5a h THR 102 Cb 0.56 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1h5a h THR 102 CO 0.04 0.33 0.15 0.40 0.37 0.00 0.00 175.52 176.80 1h5a h ILE 103 N 0.29 1.26 -0.91 3.11 2.04 -0.80 -2.35 117.51 120.14 1h5a h ILE 103 Ca 0.07 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1h5a h ILE 103 Cb 0.50 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1h5a h ILE 103 CO 0.02 0.36 0.60 0.00 0.00 0.00 0.00 178.15 179.13 1h5a h ALA 104 N 1.05 1.36 -0.30 1.87 0.00 -0.86 0.27 119.26 122.65 1h5a h ALA 104 Ca 0.20 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1h5a h ALA 104 Cb 0.37 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1h5a h ALA 104 CO 0.00 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1h5a h ALA 105 N 1.44 0.41 -0.31 0.00 0.00 -0.91 -0.53 119.26 119.35 1h5a h ALA 105 Ca 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1h5a h ALA 105 Cb -0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1h5a h ALA 105 CO -0.08 0.15 0.08 0.37 0.00 0.00 0.00 179.25 179.77 1h5a h GLN 106 N 0.32 0.50 -0.45 0.00 -0.00 -1.01 -1.83 115.11 112.65 1h5a h GLN 106 Ca 0.09 -0.12 -0.04 0.00 -0.00 0.00 0.00 58.65 58.57 1h5a h GLN 106 Cb 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 1h5a h GLN 106 CO 0.02 0.57 0.10 1.96 0.00 0.00 0.00 178.83 181.47 1h5a h GLN 107 N 0.35 0.67 -0.36 1.69 1.08 -0.92 -1.46 115.11 116.16 1h5a h GLN 107 Ca 0.10 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1h5a h GLN 107 Cb 0.29 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1h5a h GLN 107 CO 0.00 0.62 0.13 0.77 -0.95 0.00 0.00 178.83 179.40 1h5a h SER 108 N 0.65 0.51 -0.51 1.46 0.02 -0.82 0.44 113.55 115.30 1h5a h SER 108 Ca 0.15 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1h5a h SER 108 Cb 0.26 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1h5a h SER 108 CO -0.00 0.56 0.31 0.58 -1.14 0.00 0.00 176.83 177.14 1h5a h VAL 109 N 0.43 1.16 -0.39 2.27 2.07 -0.92 -2.00 116.25 118.88 1h5a h VAL 109 Ca 0.12 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1h5a h VAL 109 Cb 0.22 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1h5a h VAL 109 CO -0.01 0.16 0.07 0.74 0.02 0.00 0.00 177.57 178.56 1h5a h THR 110 N 0.69 1.24 -0.02 2.57 2.02 -1.07 0.19 112.91 118.52 1h5a h THR 110 Ca 0.18 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1h5a h THR 110 Cb -0.01 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1h5a h THR 110 CO -0.03 0.28 -0.08 -0.07 0.37 0.00 0.00 175.52 175.99 1h5a h LEU 111 N 0.48 0.03 -0.27 2.58 3.38 -0.74 -0.73 115.31 120.04 1h5a h LEU 111 Ca 0.12 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1h5a h LEU 111 Cb 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1h5a h LEU 111 CO 0.01 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1h5a n ALA 112 N -2.52 2.60 0.00 1.53 0.00 -0.77 -4.86 120.51 116.50 1h5a n ALA 112 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1h5a n ALA 112 Cb 0.17 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1h5a n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h5a n GLY 113 N 0.91 0.78 0.56 0.00 0.00 -0.28 -0.58 105.19 106.57 1h5a n GLY 113 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1h5a n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5a n GLY 114 N -1.74 -0.79 3.74 -0.02 0.00 0.65 -4.78 105.19 102.24 1h5a n GLY 114 Ca 0.00 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 1h5a n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h5a s PRO 115 N -3.29 1.91 -0.12 1.61 0.04 -1.26 -4.47 135.00 129.43 1h5a s PRO 115 Ca 0.11 1.32 0.03 0.00 0.04 0.00 0.00 61.00 62.49 1h5a s PRO 115 Cb -0.00 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 1h5a s PRO 115 CO 0.07 -1.92 -0.21 0.45 0.04 0.00 0.00 177.00 175.43 1h5a s SER 116 N -3.07 3.32 0.19 6.66 0.15 -1.26 -3.97 113.70 115.72 1h5a s SER 116 Ca 0.64 -0.51 -0.20 0.00 0.70 0.00 0.00 55.95 56.57 1h5a s SER 116 Cb -0.20 -1.47 0.04 0.00 -1.71 0.00 0.00 66.02 62.69 1h5a s SER 116 CO 0.55 0.14 0.58 -1.66 1.20 0.00 0.00 173.24 174.05 1h5a s TRP 117 N 0.45 -0.31 -0.32 3.44 -2.14 -1.26 -5.13 118.94 113.67 1h5a s TRP 117 Ca -0.15 0.00 -0.14 0.00 2.66 0.00 0.00 56.10 58.47 1h5a s TRP 117 Cb -0.17 0.50 -0.02 0.00 -3.10 0.00 0.00 33.47 30.68 1h5a s TRP 117 CO 0.06 -0.92 0.32 1.03 -2.66 0.00 0.00 176.95 174.78 1h5a s ARG 118 N -3.82 3.69 0.46 3.25 0.52 -1.26 -4.98 118.95 116.81 1h5a s ARG 118 Ca 0.06 -0.35 -0.21 0.00 -0.52 0.00 0.00 55.73 54.70 1h5a s ARG 118 Cb -0.02 -3.76 -0.09 0.00 0.52 0.00 0.00 34.95 31.61 1h5a s ARG 118 CO -0.06 -0.42 1.02 0.14 0.02 0.00 0.00 175.30 176.01 1h5a s VAL 119 N 1.95 3.88 0.50 3.52 -7.23 -1.26 -4.82 120.40 116.94 1h5a s VAL 119 Ca 0.11 1.23 -0.23 0.00 -1.81 0.00 0.00 61.98 61.28 1h5a s VAL 119 Cb -0.16 -3.53 -0.06 0.00 0.56 0.00 0.00 36.38 33.18 1h5a s VAL 119 CO 0.11 -0.20 1.29 -2.84 -0.31 0.00 0.00 175.10 173.15 1h5a s PRO 120 N -3.05 3.45 0.23 4.82 0.02 -1.26 -4.14 135.00 135.07 1h5a s PRO 120 Ca 0.64 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.76 1h5a s PRO 120 Cb -0.16 -2.37 -0.05 0.00 0.02 0.00 0.00 34.50 31.94 1h5a s PRO 120 CO 0.20 -0.89 0.06 -0.51 -0.33 0.00 0.00 177.00 175.53 1h5a s LEU 121 N -3.22 1.84 0.00 -5.54 1.43 0.27 -4.78 118.68 108.68 1h5a s LEU 121 Ca 0.67 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1h5a s LEU 121 Cb -0.36 -0.04 0.00 0.00 0.03 0.00 0.00 46.19 45.82 1h5a s LEU 121 CO 0.44 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1h5a n GLY 122 N -0.40 0.81 3.79 -3.19 0.00 -1.26 -0.99 105.19 103.95 1h5a n GLY 122 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1h5a n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h5a s ARG 123 N 0.00 3.26 0.31 1.61 0.52 -1.26 -4.50 118.95 118.89 1h5a s ARG 123 Ca 0.00 1.35 0.08 0.00 -0.52 0.00 0.00 55.73 56.64 1h5a s ARG 123 Cb 0.00 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.39 1h5a s ARG 123 CO 0.00 -0.88 -0.08 1.03 0.02 0.00 0.00 175.30 175.40 1h5a s ARG 124 N -3.81 1.69 0.11 3.54 0.52 0.33 -4.51 118.95 116.81 1h5a s ARG 124 Ca 0.67 -1.87 -0.21 0.00 -0.52 0.00 0.00 55.73 53.80 1h5a s ARG 124 Cb -0.19 -1.45 -0.07 0.00 0.52 0.00 0.00 34.95 33.76 1h5a s ARG 124 CO 0.34 0.09 0.65 -0.51 0.02 0.00 0.00 175.30 175.89 1h5a s ASP 125 N -3.53 7.18 0.78 0.23 1.01 0.30 -4.45 116.67 118.20 1h5a s ASP 125 Ca 0.31 1.40 -0.12 0.00 0.71 0.00 0.00 52.55 54.85 1h5a s ASP 125 Cb 0.03 -2.41 0.07 0.00 1.01 0.00 0.00 42.92 41.62 1h5a s ASP 125 CO 0.14 0.25 1.13 -0.94 0.21 0.00 0.00 175.17 175.96 1h5a s SER 126 N -1.14 4.12 0.00 0.27 1.04 -0.18 -2.07 113.70 115.74 1h5a s SER 126 Ca 0.32 2.06 0.20 0.00 0.48 0.00 0.00 55.95 59.01 1h5a s SER 126 Cb -0.21 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 63.85 1h5a s SER 126 CO 0.22 -2.30 1.41 0.18 0.98 0.00 0.00 173.24 173.73 1h5a n LEU 127 N -3.35 3.52 -3.70 2.42 4.77 -1.26 -4.84 117.00 114.56 1h5a n LEU 127 Ca 0.11 -1.79 -0.06 0.00 -0.03 0.00 0.00 56.01 54.24 1h5a n LEU 127 Cb 0.52 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1h5a n LEU 127 CO 0.50 0.84 0.63 0.00 -1.33 0.00 0.00 177.39 178.03 1h5a s GLN 128 N -1.15 1.25 0.25 3.23 -2.07 -1.26 -4.98 119.66 114.93 1h5a s GLN 128 Ca 0.39 -0.64 0.09 0.00 -1.82 0.00 0.00 55.36 53.38 1h5a s GLN 128 Cb 0.21 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.55 1h5a s GLN 128 CO 0.29 -0.57 0.02 0.00 -1.32 0.00 0.00 175.29 173.71 1h5a s ALA 129 N -3.42 3.22 -0.58 2.60 0.00 -1.26 -4.75 121.76 117.57 1h5a s ALA 129 Ca 0.10 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.51 1h5a s ALA 129 Cb -0.02 -0.87 0.17 0.00 0.00 0.00 0.00 23.12 22.40 1h5a s ALA 129 CO -0.00 0.29 0.43 1.19 0.00 0.00 0.00 175.76 177.67 1h5a n PHE 130 N -0.85 1.41 -0.02 0.00 3.01 -1.26 -4.82 117.46 114.93 1h5a n PHE 130 Ca -0.07 -3.87 -0.11 0.00 1.01 0.00 0.00 57.45 54.41 1h5a n PHE 130 Cb 0.58 -0.24 -0.05 0.00 -0.01 0.00 0.00 39.48 39.76 1h5a n PHE 130 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1h5a h LEU 131 N 5.45 0.15 -0.85 4.37 5.85 -1.83 -1.19 115.31 127.25 1h5a h LEU 131 Ca 0.20 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1h5a h LEU 131 Cb 0.82 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1h5a h LEU 131 CO 0.57 0.20 0.51 0.44 -0.34 0.00 0.00 178.44 179.81 1h5a h ASP 132 N 0.09 1.03 -0.19 1.25 3.32 -1.93 -1.33 116.42 118.65 1h5a h ASP 132 Ca 0.04 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1h5a h ASP 132 Cb 0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1h5a h ASP 132 CO -0.01 0.80 -0.09 0.25 -1.72 0.00 0.00 179.24 178.48 1h5a h LEU 133 N 1.18 0.52 -0.55 1.55 5.85 -1.94 -1.64 115.31 120.28 1h5a h LEU 133 Ca 0.31 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 1h5a h LEU 133 Cb -0.03 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1h5a h LEU 133 CO -0.06 0.65 -0.11 0.00 -0.34 0.00 0.00 178.44 178.58 1h5a h ALA 134 N 1.41 0.75 -0.04 1.25 0.00 -0.46 0.19 119.26 122.35 1h5a h ALA 134 Ca 0.10 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1h5a h ALA 134 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1h5a h ALA 134 CO 0.02 0.67 -0.31 -0.91 0.00 0.00 0.00 179.25 178.73 1h5a h ASN 135 N 0.92 0.07 0.38 0.00 2.35 -0.84 -2.23 115.58 116.23 1h5a h ASN 135 Ca 0.14 -0.02 -0.32 0.00 -0.55 0.00 0.00 56.30 55.55 1h5a h ASN 135 Cb 0.68 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 1h5a h ASN 135 CO 0.05 0.38 -1.59 0.00 -1.65 0.00 0.00 177.43 174.62 1h5a h ALA 136 N 1.62 0.24 0.00 -0.83 0.00 -1.00 -3.40 119.26 115.89 1h5a h ALA 136 Ca 0.01 -1.12 -0.21 0.00 0.00 0.00 0.00 54.91 53.59 1h5a h ALA 136 Cb 0.58 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1h5a h ALA 136 CO 0.04 1.11 -1.48 -0.91 0.00 0.00 0.00 179.25 178.01 1h5a h ASN 137 N 0.08 0.00 -3.15 0.00 4.21 -0.59 -3.46 115.58 112.66 1h5a h ASN 137 Ca -0.27 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 56.69 1h5a h ASN 137 Cb 2.04 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 39.23 1h5a h ASN 137 CO 0.17 0.71 0.63 -0.76 -1.29 0.00 0.00 177.43 176.88 1h5a s LEU 138 N -5.90 4.31 0.87 1.61 1.43 -0.84 -4.95 118.68 115.21 1h5a s LEU 138 Ca -0.03 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 54.80 1h5a s LEU 138 Cb 0.08 -3.56 0.11 0.00 0.03 0.00 0.00 46.19 42.85 1h5a s LEU 138 CO 0.81 -0.52 1.09 -2.16 0.23 0.00 0.00 176.35 175.81 1h5a s PRO 139 N 1.79 1.50 0.15 1.29 0.04 -1.26 -4.97 135.00 133.54 1h5a s PRO 139 Ca 0.56 0.89 0.11 0.00 0.04 0.00 0.00 61.00 62.59 1h5a s PRO 139 Cb -0.25 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1h5a s PRO 139 CO 0.24 -2.09 -0.24 0.00 0.04 0.00 0.00 177.00 174.94 1h5a s ALA 140 N -2.94 2.33 0.64 8.56 0.00 -1.26 -5.00 121.76 124.10 1h5a s ALA 140 Ca 0.63 -1.51 0.38 0.00 0.00 0.00 0.00 51.96 51.47 1h5a s ALA 140 Cb -0.18 -0.33 2.16 0.00 0.00 0.00 0.00 23.12 24.78 1h5a s ALA 140 CO 0.57 0.45 2.30 -1.00 0.00 0.00 0.00 175.76 178.08 1h5a h PRO 141 N 3.61 0.00 -0.21 0.00 0.13 -1.97 -1.54 132.00 132.02 1h5a h PRO 141 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1h5a h PRO 141 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1h5a h PRO 141 CO 0.43 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.17 1h5a n PHE 142 N -3.35 0.27 -2.08 1.56 1.16 -1.26 -1.93 117.46 111.83 1h5a n PHE 142 Ca -0.03 -0.14 -0.38 0.00 -1.87 0.00 0.00 57.45 55.04 1h5a n PHE 142 Cb 0.11 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 37.98 1h5a n PHE 142 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1h5a s PHE 143 N -1.73 2.70 0.79 2.97 0.40 -0.58 -4.97 117.98 117.56 1h5a s PHE 143 Ca 0.32 1.47 -0.11 0.00 -0.60 0.00 0.00 56.93 58.01 1h5a s PHE 143 Cb 0.17 -3.56 0.08 0.00 0.51 0.00 0.00 43.02 40.23 1h5a s PHE 143 CO 0.26 -2.01 1.14 0.95 0.70 0.00 0.00 175.22 176.26 1h5a s THR 144 N -1.42 2.07 0.19 0.64 -4.23 -1.26 -4.44 115.64 107.20 1h5a s THR 144 Ca 0.64 -0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.97 1h5a s THR 144 Cb -0.34 -3.00 0.11 0.00 1.34 0.00 0.00 72.50 70.61 1h5a s THR 144 CO 0.41 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.56 1h5a h LEU 145 N -0.96 0.79 -1.37 4.79 5.85 -1.96 0.07 115.31 122.53 1h5a h LEU 145 Ca -0.46 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.21 1h5a h LEU 145 Cb 1.32 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1h5a h LEU 145 CO 0.64 0.63 0.44 -0.65 -0.34 0.00 0.00 178.44 179.16 1h5a h PRO 146 N 0.89 0.83 -0.30 5.25 0.11 -1.94 -0.35 132.00 136.50 1h5a h PRO 146 Ca 0.23 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.16 1h5a h PRO 146 Cb -0.00 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 1h5a h PRO 146 CO -0.04 0.55 -0.37 1.96 -0.21 0.00 0.00 178.00 179.89 1h5a h GLN 147 N 0.86 0.69 -0.37 1.05 4.20 -1.69 -0.91 115.11 118.94 1h5a h GLN 147 Ca 0.25 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 1h5a h GLN 147 Cb -0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1h5a h GLN 147 CO -0.06 0.95 0.08 -0.07 -0.67 0.00 0.00 178.83 179.06 1h5a h LEU 148 N 0.57 0.57 -0.68 1.46 3.38 -0.25 -0.97 115.31 119.39 1h5a h LEU 148 Ca 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1h5a h LEU 148 Cb 0.89 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1h5a h LEU 148 CO 0.08 0.66 0.36 0.11 0.09 0.00 0.00 178.44 179.75 1h5a h LYS 149 N 0.45 0.95 -0.62 1.13 1.57 -0.98 -2.23 116.57 116.85 1h5a h LYS 149 Ca 0.12 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1h5a h LYS 149 Cb 0.32 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1h5a h LYS 149 CO 0.00 0.72 0.40 -0.44 -0.57 0.00 0.00 179.45 179.57 1h5a h ASP 150 N 0.93 0.68 -0.81 0.86 3.32 -0.91 -0.63 116.42 119.86 1h5a h ASP 150 Ca 0.24 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1h5a h ASP 150 Cb 0.05 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1h5a h ASP 150 CO -0.04 0.49 0.40 0.77 -1.72 0.00 0.00 179.24 179.14 1h5a h SER 151 N 0.81 1.05 -0.20 6.45 4.64 -0.80 0.29 113.55 125.79 1h5a h SER 151 Ca 0.23 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 1h5a h SER 151 Cb -0.06 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.76 1h5a h SER 151 CO -0.06 0.89 -0.32 -0.26 -0.87 0.00 0.00 176.83 176.20 1h5a h PHE 152 N 1.14 0.70 -0.64 4.77 -1.00 -1.13 -3.11 116.94 117.68 1h5a h PHE 152 Ca 0.28 -0.24 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1h5a h PHE 152 Cb 0.11 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.50 1h5a h PHE 152 CO 0.01 0.97 0.34 0.00 -1.61 0.00 0.00 178.31 178.02 1h5a h ARG 153 N 0.23 0.89 -0.55 1.51 3.08 -0.92 -0.76 114.38 117.86 1h5a h ARG 153 Ca 0.02 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.05 1h5a h ARG 153 Cb 0.90 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 1h5a h ARG 153 CO 0.07 0.66 0.37 -0.97 -1.07 0.00 0.00 179.97 179.04 1h5a h ASN 154 N 0.89 0.35 -0.02 7.04 -1.24 -0.87 -1.51 115.58 120.23 1h5a h ASN 154 Ca 0.23 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1h5a h ASN 154 Cb 0.04 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.02 1h5a h ASN 154 CO -0.04 0.22 -0.02 1.33 -1.29 0.00 0.00 177.43 177.63 1h5a n VAL 155 N -4.47 0.00 0.00 2.57 0.24 -0.95 -4.96 118.33 110.77 1h5a n VAL 155 Ca 0.09 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1h5a n VAL 155 Cb 0.33 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 1h5a n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h5a n GLY 156 N 1.31 1.04 3.21 7.63 0.00 -0.57 -4.87 105.19 112.94 1h5a n GLY 156 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1h5a n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h5a s LEU 157 N 0.00 5.89 0.31 0.99 1.43 -0.33 -4.92 118.68 122.04 1h5a s LEU 157 Ca 0.00 -2.51 0.17 0.00 -1.03 0.00 0.00 54.13 50.76 1h5a s LEU 157 Cb 0.00 -2.02 0.26 0.00 0.03 0.00 0.00 46.19 44.45 1h5a s LEU 157 CO 0.00 -0.54 1.53 0.78 0.23 0.00 0.00 176.35 178.35 1h5a h ASN 158 N 7.73 0.00 -3.62 2.29 2.35 -1.86 -2.93 115.58 119.53 1h5a h ASN 158 Ca -0.04 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.20 1h5a h ASN 158 Cb 1.02 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.37 1h5a h ASN 158 CO 0.78 0.45 0.37 -0.13 -1.65 0.00 0.00 177.43 177.24 1h5a s ARG 159 N -3.14 4.74 0.51 0.81 0.52 -1.26 -4.93 118.95 116.20 1h5a s ARG 159 Ca 0.03 1.49 0.24 0.00 -0.52 0.00 0.00 55.73 56.97 1h5a s ARG 159 Cb 0.08 -3.34 1.36 0.00 0.52 0.00 0.00 34.95 33.57 1h5a s ARG 159 CO 0.72 0.30 2.06 0.77 0.02 0.00 0.00 175.30 179.17 1h5a h SER 160 N 5.09 0.00 0.02 0.23 0.02 -1.96 -0.41 113.55 116.55 1h5a h SER 160 Ca -0.44 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.44 1h5a h SER 160 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1h5a h SER 160 CO 0.71 0.13 -0.21 -1.28 -1.14 0.00 0.00 176.83 175.03 1h5a h SER 161 N 0.00 0.33 0.08 3.07 0.87 -1.94 0.46 113.55 116.42 1h5a h SER 161 Ca -0.00 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1h5a h SER 161 Cb 0.32 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1h5a h SER 161 CO 0.02 0.56 -0.04 0.44 -0.53 0.00 0.00 176.83 177.27 1h5a h ASP 162 N 0.31 -0.10 -0.06 6.23 3.32 -1.45 0.22 116.42 124.89 1h5a h ASP 162 Ca 0.05 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1h5a h ASP 162 Cb 0.55 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1h5a h ASP 162 CO 0.04 -0.01 0.03 0.25 -1.72 0.00 0.00 179.24 177.83 1h5a h LEU 163 N -0.18 0.08 -0.37 1.55 5.85 -1.30 -1.01 115.31 119.94 1h5a h LEU 163 Ca -0.01 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1h5a h LEU 163 Cb 0.15 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1h5a h LEU 163 CO 0.02 0.20 -0.05 0.58 -0.34 0.00 0.00 178.44 178.85 1h5a h VAL 164 N -0.05 1.27 -0.20 1.05 2.07 -0.89 -1.95 116.25 117.55 1h5a h VAL 164 Ca 0.02 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 1h5a h VAL 164 Cb 0.15 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1h5a h VAL 164 CO -0.00 0.36 -0.08 0.00 0.02 0.00 0.00 177.57 177.88 1h5a h ALA 165 N 0.84 0.28 0.00 1.67 0.00 -0.97 -3.12 119.26 117.96 1h5a h ALA 165 Ca 0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1h5a h ALA 165 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1h5a h ALA 165 CO 0.03 0.09 -0.36 -0.07 0.00 0.00 0.00 179.25 178.94 1h5a h LEU 166 N 0.12 0.00 -1.36 0.00 3.38 -1.23 -1.20 115.31 115.02 1h5a h LEU 166 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1h5a h LEU 166 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1h5a h LEU 166 CO 0.03 0.36 0.00 0.28 0.09 0.00 0.00 178.44 179.19 1h5a h SER 167 N 0.00 0.00 0.20 -0.43 0.02 -1.29 -0.95 113.55 111.10 1h5a h SER 167 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1h5a h SER 167 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1h5a h SER 167 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1h5a n GLY 168 N -0.68 -0.64 0.14 -3.77 0.00 -0.45 -1.64 105.19 98.15 1h5a n GLY 168 Ca -0.00 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1h5a n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5a n GLY 169 N -0.60 -1.03 1.05 -0.02 0.00 -0.36 -1.42 105.19 102.81 1h5a n GLY 169 Ca 0.03 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1h5a n GLY 169 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1h5a n HIS 170 N -2.20 0.78 1.38 1.61 8.25 -0.65 -3.57 115.22 120.82 1h5a n HIS 170 Ca 0.00 -0.34 0.15 0.00 -0.26 0.00 0.00 57.72 57.27 1h5a n HIS 170 Cb 0.12 -0.28 0.71 0.00 1.12 0.00 0.00 29.99 31.66 1h5a n HIS 170 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1h5a n THR 171 N 0.19 0.00 -3.94 1.59 5.66 -0.51 -3.80 114.28 113.46 1h5a n THR 171 Ca 0.11 -0.01 -0.11 0.00 -3.05 0.00 0.00 64.05 60.99 1h5a n THR 171 Cb 0.62 -0.39 -0.01 0.00 -1.55 0.00 0.00 70.33 69.00 1h5a n THR 171 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1h5a s PHE 172 N -2.59 0.50 0.00 1.09 -0.71 -1.23 -4.46 117.98 110.58 1h5a s PHE 172 Ca 0.27 -0.95 0.00 0.00 -1.04 0.00 0.00 56.93 55.21 1h5a s PHE 172 Cb 0.20 0.39 0.00 0.00 -1.21 0.00 0.00 43.02 42.40 1h5a s PHE 172 CO 0.48 -1.31 0.00 0.41 -1.34 0.00 0.00 175.22 173.46 1h5a n GLY 173 N -0.52 0.32 3.59 1.99 0.00 -1.14 -4.68 105.19 104.75 1h5a n GLY 173 Ca -0.04 -1.92 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 1h5a n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h5a s LYS 174 N -1.58 2.12 -0.04 1.61 -0.14 -1.26 -2.34 119.74 118.11 1h5a s LYS 174 Ca 0.00 -1.48 -0.02 0.00 -1.36 0.00 0.00 55.97 53.10 1h5a s LYS 174 Cb 0.00 -2.07 0.02 0.00 -1.68 0.00 0.00 37.83 34.10 1h5a s LYS 174 CO 0.00 0.36 0.09 1.21 -0.76 0.00 0.00 175.35 176.25 1h5a s ASN 175 N -3.53 -0.06 0.35 2.83 2.47 0.12 -4.88 114.94 112.24 1h5a s ASN 175 Ca 0.30 0.18 -0.26 0.00 0.42 0.00 0.00 52.86 53.50 1h5a s ASN 175 Cb -0.06 0.13 -0.09 0.00 -1.45 0.00 0.00 41.25 39.77 1h5a s ASN 175 CO 0.18 -0.08 1.03 -1.10 -3.72 0.00 0.00 177.10 173.41 1h5a s GLN 176 N 0.55 4.39 0.39 0.43 -0.21 -1.26 -0.36 119.66 123.60 1h5a s GLN 176 Ca -0.04 1.52 0.16 0.00 0.02 0.00 0.00 55.36 57.02 1h5a s GLN 176 Cb -0.06 -2.77 1.03 0.00 1.00 0.00 0.00 33.01 32.22 1h5a s GLN 176 CO -0.02 0.06 1.81 0.00 -2.12 0.00 0.00 175.29 175.02 1h5a h ARG 178 N 0.47 0.19 0.00 0.00 2.43 -1.34 -0.90 114.38 115.24 1h5a h ARG 178 Ca 0.54 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 1h5a h ARG 178 Cb 1.25 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1h5a h ARG 178 CO -0.25 0.13 0.00 1.19 -1.51 0.00 0.00 179.97 179.53 1h5a n PHE 179 N -5.19 0.00 -0.28 2.20 3.72 -0.66 -3.63 117.46 113.62 1h5a n PHE 179 Ca 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 1h5a n PHE 179 Cb 0.91 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 1h5a n PHE 179 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1h5a n ILE 180 N -1.28 0.17 -0.26 4.37 -5.35 -0.37 -4.79 119.36 111.84 1h5a n ILE 180 Ca 0.13 -0.45 0.11 0.00 -0.27 0.00 0.00 62.75 62.27 1h5a n ILE 180 Cb 0.21 1.13 0.37 0.00 -1.74 0.00 0.00 39.64 39.60 1h5a n ILE 180 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1h5a h MET 181 N 0.00 0.69 -0.34 6.28 2.86 -1.54 -1.20 114.93 121.68 1h5a h MET 181 Ca 0.00 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1h5a h MET 181 Cb 0.26 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1h5a h MET 181 CO 0.00 0.46 -0.02 0.38 1.06 0.00 0.00 176.91 178.79 1h5a h ASP 182 N 0.71 0.61 -0.25 1.22 2.03 -1.84 -1.66 116.42 117.23 1h5a h ASP 182 Ca 0.44 -0.32 -0.02 0.00 -0.73 0.00 0.00 57.03 56.40 1h5a h ASP 182 Cb 0.66 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 38.98 1h5a h ASP 182 CO -0.20 0.79 0.12 0.03 -1.03 0.00 0.00 179.24 178.95 1h5a h ARG 183 N 0.42 0.42 0.08 4.15 3.08 -1.52 -0.98 114.38 120.03 1h5a h ARG 183 Ca 0.09 -0.05 -0.26 0.00 0.07 0.00 0.00 59.98 59.83 1h5a h ARG 183 Cb 0.49 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1h5a h ARG 183 CO 0.02 0.36 -1.25 -0.07 -1.07 0.00 0.00 179.97 177.96 1h5a h LEU 184 N 0.43 0.26 0.00 3.04 3.38 -1.07 0.51 115.31 121.86 1h5a h LEU 184 Ca 0.11 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1h5a h LEU 184 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1h5a h LEU 184 CO -0.01 1.24 -0.62 -1.22 0.09 0.00 0.00 178.44 177.92 1h5a n TYR 185 N -3.44 0.00 -3.09 1.13 4.01 -0.65 -4.43 117.16 110.70 1h5a n TYR 185 Ca -0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.60 1h5a n TYR 185 Cb 1.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.01 1h5a n TYR 185 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1h5a s ASN 186 N -2.03 -0.85 -0.13 7.72 2.47 -0.50 -3.46 114.94 118.16 1h5a s ASN 186 Ca 0.00 -1.43 -0.21 0.00 0.42 0.00 0.00 52.86 51.64 1h5a s ASN 186 Cb 0.00 1.53 -0.03 0.00 -1.45 0.00 0.00 41.25 41.30 1h5a s ASN 186 CO 0.00 -0.14 0.63 0.12 -3.72 0.00 0.00 177.10 173.99 1h5a s PHE 187 N 1.30 3.49 -1.57 0.43 5.36 0.48 -4.19 117.98 123.27 1h5a s PHE 187 Ca 0.22 1.06 -0.11 0.00 -0.96 0.00 0.00 56.93 57.14 1h5a s PHE 187 Cb -0.04 -2.75 0.09 0.00 -0.34 0.00 0.00 43.02 39.98 1h5a s PHE 187 CO -0.06 0.01 0.69 0.45 -1.46 0.00 0.00 175.22 174.84 1h5a n SER 188 N 4.22 -2.46 -3.65 6.13 2.88 -1.26 -1.91 113.62 117.57 1h5a n SER 188 Ca -0.02 -0.97 -0.26 0.00 -1.33 0.00 0.00 58.87 56.28 1h5a n SER 188 Cb 0.51 -3.06 0.05 0.00 -0.75 0.00 0.00 64.21 60.96 1h5a n SER 188 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1h5a n ASN 189 N -2.81 -5.69 -0.00 -3.46 3.02 -1.26 -4.89 115.26 100.16 1h5a n ASN 189 Ca -0.07 -0.60 0.07 0.00 -0.03 0.00 0.00 54.58 53.95 1h5a n ASN 189 Cb 0.57 -4.51 -0.10 0.00 -0.61 0.00 0.00 39.78 35.12 1h5a n ASN 189 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1h5a n THR 190 N -4.80 0.00 -0.94 3.41 -2.24 -0.80 -4.96 114.28 103.94 1h5a n THR 190 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1h5a n THR 190 Cb 0.55 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1h5a n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h5a n GLY 191 N 1.48 0.55 3.39 3.38 0.00 -1.26 -4.95 105.19 107.79 1h5a n GLY 191 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1h5a n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h5a s LEU 192 N 0.00 2.50 0.81 0.99 1.43 -1.22 -4.61 118.68 118.58 1h5a s LEU 192 Ca 0.00 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.05 1h5a s LEU 192 Cb 0.00 -0.94 0.08 0.00 0.03 0.00 0.00 46.19 45.36 1h5a s LEU 192 CO 0.00 -0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.50 1h5a s PRO 193 N -3.14 1.95 -0.03 1.29 0.04 -1.26 -0.39 135.00 133.45 1h5a s PRO 193 Ca 0.22 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 1h5a s PRO 193 Cb -0.05 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 1h5a s PRO 193 CO 0.10 -1.82 1.88 0.34 0.04 0.00 0.00 177.00 177.53 1h5a s ASP 194 N -3.44 6.41 0.35 6.66 -1.08 0.17 -4.76 116.67 120.99 1h5a s ASP 194 Ca 0.62 2.40 0.25 0.00 -0.52 0.00 0.00 52.55 55.30 1h5a s ASP 194 Cb -0.17 -2.53 1.28 0.00 -1.46 0.00 0.00 42.92 40.04 1h5a s ASP 194 CO 0.56 -1.12 1.76 1.55 0.52 0.00 0.00 175.17 178.44 1h5a h PRO 195 N 10.74 0.00 -0.26 4.34 0.13 -1.91 -1.85 132.00 143.19 1h5a h PRO 195 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1h5a h PRO 195 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1h5a h PRO 195 CO 0.95 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 1h5a n THR 196 N -2.37 0.34 -3.64 1.56 -2.24 -1.26 -4.78 114.28 101.89 1h5a n THR 196 Ca -0.01 -0.41 -0.37 0.00 -2.27 0.00 0.00 64.05 60.98 1h5a n THR 196 Cb 0.08 0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 1h5a n THR 196 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1h5a s LEU 197 N -1.32 3.95 0.03 3.22 2.96 -0.70 -4.71 118.68 122.11 1h5a s LEU 197 Ca 0.29 -0.01 -0.37 0.00 -0.22 0.00 0.00 54.13 53.81 1h5a s LEU 197 Cb 0.15 -2.08 -0.17 0.00 0.50 0.00 0.00 46.19 44.59 1h5a s LEU 197 CO 0.22 -0.02 1.38 -3.20 -1.32 0.00 0.00 176.35 173.41 1h5a n ASN 198 N 4.86 1.67 0.24 3.68 2.85 0.20 -4.76 115.26 124.00 1h5a n ASN 198 Ca -0.15 1.12 0.07 0.00 -0.11 0.00 0.00 54.58 55.51 1h5a n ASN 198 Cb 0.52 -1.17 0.60 0.00 1.24 0.00 0.00 39.78 40.97 1h5a n ASN 198 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1h5a h THR 199 N 3.58 1.00 -0.11 -0.44 1.35 -1.93 0.15 112.91 116.51 1h5a h THR 199 Ca -0.48 -0.35 -0.17 0.00 -0.55 0.00 0.00 66.41 64.86 1h5a h THR 199 Cb 1.34 1.19 0.01 0.00 -1.73 0.00 0.00 68.15 68.96 1h5a h THR 199 CO 0.80 0.10 -0.61 0.74 -0.25 0.00 0.00 175.52 176.29 1h5a h THR 200 N 0.00 1.34 -0.16 6.82 2.02 -1.99 -2.96 112.91 117.98 1h5a h THR 200 Ca -0.00 -1.90 -0.09 0.00 0.77 0.00 0.00 66.41 65.19 1h5a h THR 200 Cb 0.18 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1h5a h THR 200 CO 0.01 0.58 -0.32 0.22 0.37 0.00 0.00 175.52 176.39 1h5a h TYR 201 N 0.25 0.35 -0.67 3.16 3.20 -1.82 -2.69 116.97 118.75 1h5a h TYR 201 Ca -0.04 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.81 1h5a h TYR 201 Cb 1.25 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.38 1h5a h TYR 201 CO 0.11 0.60 0.37 1.25 -1.64 0.00 0.00 178.16 178.84 1h5a h LEU 202 N 0.27 0.54 -0.49 2.82 5.85 -0.62 0.01 115.31 123.69 1h5a h LEU 202 Ca 0.04 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1h5a h LEU 202 Cb 0.70 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1h5a h LEU 202 CO 0.05 0.34 0.24 1.56 -0.34 0.00 0.00 178.44 180.30 1h5a h GLN 203 N 0.67 0.70 -0.20 1.25 7.50 -1.32 -0.39 115.11 123.32 1h5a h GLN 203 Ca 0.31 -0.10 -0.00 0.00 0.50 0.00 0.00 58.65 59.36 1h5a h GLN 203 Cb 0.21 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 1h5a h GLN 203 CO -0.19 0.58 0.12 1.15 -1.50 0.00 0.00 178.83 178.98 1h5a h THR 204 N 0.65 1.09 -0.36 -0.54 2.02 -1.20 -2.14 112.91 112.42 1h5a h THR 204 Ca 0.17 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 1h5a h THR 204 Cb 0.10 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1h5a h THR 204 CO -0.02 0.09 -0.04 -0.07 0.37 0.00 0.00 175.52 175.84 1h5a h LEU 205 N 0.24 0.56 -1.30 2.58 3.38 -0.84 -2.06 115.31 117.87 1h5a h LEU 205 Ca 0.07 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1h5a h LEU 205 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1h5a h LEU 205 CO -0.01 0.66 -0.27 0.03 0.09 0.00 0.00 178.44 178.94 1h5a h ARG 206 N 0.56 0.12 -0.01 1.13 3.08 -0.81 0.21 114.38 118.65 1h5a h ARG 206 Ca 0.11 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1h5a h ARG 206 Cb 0.42 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1h5a h ARG 206 CO 0.02 0.39 -0.66 0.78 -1.07 0.00 0.00 179.97 179.43 1h5a h GLY 207 N 0.93 0.03 1.57 0.04 0.00 -0.72 -2.37 103.07 102.55 1h5a h GLY 207 Ca 0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 47.33 47.06 1h5a h GLY 207 CO 0.04 0.04 -1.30 1.41 0.00 0.00 0.00 176.54 176.73 1h5a h LEU 208 N 0.02 0.03 -6.17 3.11 3.38 -0.97 -3.40 115.31 111.31 1h5a h LEU 208 Ca -0.01 -0.04 -0.58 0.00 0.09 0.00 0.00 57.88 57.34 1h5a h LEU 208 Cb 1.17 -0.01 -0.41 0.00 0.09 0.00 0.00 40.66 41.50 1h5a h LEU 208 CO 0.09 1.03 -0.81 0.00 0.09 0.00 0.00 178.44 178.84 1h5a s PRO 210 N -1.81 2.61 0.33 0.00 0.04 -0.90 -4.64 135.00 130.62 1h5a s PRO 210 Ca 0.37 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1h5a s PRO 210 Cb 0.14 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.67 1h5a s PRO 210 CO -0.07 -1.45 1.49 -1.17 0.04 0.00 0.00 177.00 175.84 1h5a s LEU 211 N -4.70 4.35 -0.77 -3.56 2.96 -1.26 -1.41 118.68 114.29 1h5a s LEU 211 Ca 0.73 2.92 0.00 0.00 -0.22 0.00 0.00 54.13 57.56 1h5a s LEU 211 Cb -0.27 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.77 1h5a s LEU 211 CO 0.40 -0.82 0.00 0.59 -1.32 0.00 0.00 176.35 175.20 1h5a n ASN 212 N 1.29 -4.50 -1.64 3.68 5.03 -1.26 -5.00 115.26 112.86 1h5a n ASN 212 Ca 0.04 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.67 1h5a n ASN 212 Cb 0.39 -2.64 0.00 0.00 -1.02 0.00 0.00 39.78 36.51 1h5a n ASN 212 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1h5a n GLY 213 N -1.26 0.77 3.58 7.41 0.00 -0.50 -4.98 105.19 110.21 1h5a n GLY 213 Ca -0.07 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 1h5a n GLY 213 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h5a s ASN 214 N -1.00 5.77 0.48 1.61 3.04 -1.26 -4.85 114.94 118.72 1h5a s ASN 214 Ca 0.00 0.76 0.32 0.00 0.04 0.00 0.00 52.86 53.98 1h5a s ASN 214 Cb 0.00 -2.53 1.38 0.00 -1.54 0.00 0.00 41.25 38.56 1h5a s ASN 214 CO 0.00 -1.91 1.94 -0.07 -3.04 0.00 0.00 177.10 174.03 1h5a h LEU 215 N 14.36 0.00 -0.67 3.21 3.38 -1.94 -2.61 115.31 131.04 1h5a h LEU 215 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1h5a h LEU 215 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1h5a h LEU 215 CO 1.12 0.00 -0.15 -1.20 0.09 0.00 0.00 178.44 178.30 1h5a n SER 216 N -2.84 1.19 -4.74 -0.43 7.64 -1.26 -0.97 113.62 112.21 1h5a n SER 216 Ca 0.01 -1.12 -0.40 0.00 1.01 0.00 0.00 58.87 58.37 1h5a n SER 216 Cb 0.25 0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.55 1h5a n SER 216 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h5a n ALA 217 N -0.34 1.71 -2.81 -0.43 0.00 -0.99 -4.71 120.51 112.94 1h5a n ALA 217 Ca 0.15 0.21 -0.36 0.00 0.00 0.00 0.00 53.44 53.45 1h5a n ALA 217 Cb 0.35 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.38 1h5a n ALA 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h5a s LEU 218 N -2.65 4.09 0.08 0.00 1.43 -1.26 -0.91 118.68 119.45 1h5a s LEU 218 Ca 0.64 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 1h5a s LEU 218 Cb -0.45 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1h5a s LEU 218 CO 0.55 0.37 -0.16 -0.69 0.23 0.00 0.00 176.35 176.65 1h5a s VAL 219 N -1.04 1.31 0.17 -1.59 1.01 0.52 -4.91 120.40 115.86 1h5a s VAL 219 Ca 0.17 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 1h5a s VAL 219 Cb -0.12 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1h5a s VAL 219 CO 0.06 -0.18 1.15 -1.81 0.00 0.00 0.00 175.10 174.33 1h5a s ASP 220 N -1.80 7.17 0.26 3.32 1.01 -1.26 -0.70 116.67 124.66 1h5a s ASP 220 Ca 0.01 2.14 -0.01 0.00 0.71 0.00 0.00 52.55 55.40 1h5a s ASP 220 Cb -0.10 -2.60 0.34 0.00 1.01 0.00 0.00 42.92 41.57 1h5a s ASP 220 CO 0.03 -0.31 1.72 -0.26 0.21 0.00 0.00 175.17 176.56 1h5a h PHE 221 N 5.31 0.73 -3.72 4.23 0.04 -1.74 -3.40 116.94 118.40 1h5a h PHE 221 Ca -0.44 -0.13 -0.68 0.00 2.80 0.00 0.00 57.97 59.52 1h5a h PHE 221 Cb 1.21 -0.19 -0.35 0.00 2.20 0.00 0.00 35.95 38.82 1h5a h PHE 221 CO 0.63 0.77 -0.69 0.34 -0.60 0.00 0.00 178.31 178.76 1h5a s ASP 222 N -6.73 4.85 0.37 2.17 2.15 -1.25 -4.35 116.67 113.88 1h5a s ASP 222 Ca -0.08 -1.59 0.28 0.00 0.43 0.00 0.00 52.55 51.58 1h5a s ASP 222 Cb 0.14 -1.69 1.16 0.00 -0.30 0.00 0.00 42.92 42.23 1h5a s ASP 222 CO 0.81 -0.32 1.82 0.17 -0.17 0.00 0.00 175.17 177.48 1h5a h LEU 223 N 7.90 0.00 0.00 -1.34 -0.00 -1.90 -2.66 115.31 117.31 1h5a h LEU 223 Ca -0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1h5a h LEU 223 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1h5a h LEU 223 CO 0.55 0.00 -0.09 0.03 -0.00 0.00 0.00 178.44 178.92 1h5a h ARG 224 N 0.00 0.00 -2.71 0.17 3.08 -1.93 -3.43 114.38 109.55 1h5a h ARG 224 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1h5a h ARG 224 Cb 0.39 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.04 1h5a h ARG 224 CO 0.00 0.09 -0.80 0.95 -1.07 0.00 0.00 179.97 179.13 1h5a s THR 225 N -1.71 1.25 0.46 2.04 -4.23 -1.24 -5.02 115.64 107.19 1h5a s THR 225 Ca -0.04 -2.99 0.29 0.00 -1.18 0.00 0.00 61.69 57.76 1h5a s THR 225 Cb 0.00 -1.85 0.48 0.00 1.34 0.00 0.00 72.50 72.48 1h5a s THR 225 CO 0.09 -1.08 1.73 -0.65 -0.54 0.00 0.00 174.62 174.17 1h5a h PRO 226 N 5.93 0.17 0.00 3.99 0.11 -1.71 -2.98 132.00 137.51 1h5a h PRO 226 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1h5a h PRO 226 Cb 0.88 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1h5a h PRO 226 CO 0.48 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 178.64 1h5a n THR 227 N -4.47 0.21 -3.78 -1.15 -2.24 -1.26 -2.87 114.28 98.72 1h5a n THR 227 Ca 0.29 -0.57 -0.35 0.00 -2.27 0.00 0.00 64.05 61.15 1h5a n THR 227 Cb 1.19 0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 70.29 1h5a n THR 227 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1h5a s ILE 228 N -0.21 5.37 -0.63 2.28 1.01 -1.13 -4.87 121.20 123.02 1h5a s ILE 228 Ca 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.57 1h5a s ILE 228 Cb 0.00 -3.43 0.04 0.00 0.01 0.00 0.00 42.46 39.08 1h5a s ILE 228 CO 0.00 0.47 1.10 0.12 0.00 0.00 0.00 174.94 176.63 1h5a s PHE 229 N 0.12 2.58 0.16 3.97 2.19 0.25 -4.56 117.98 122.69 1h5a s PHE 229 Ca 0.09 -0.04 -0.01 0.00 0.33 0.00 0.00 56.93 57.30 1h5a s PHE 229 Cb -0.11 -4.38 0.00 0.00 -1.31 0.00 0.00 43.02 37.22 1h5a s PHE 229 CO -0.01 -1.67 0.22 -0.40 1.83 0.00 0.00 175.22 175.19 1h5a n ASP 230 N 8.28 -0.62 -0.62 6.13 5.68 -1.26 -3.58 116.55 130.55 1h5a n ASP 230 Ca 0.02 -1.83 0.05 0.00 -0.50 0.00 0.00 54.79 52.53 1h5a n ASP 230 Cb 0.48 1.15 0.15 0.00 -1.14 0.00 0.00 41.12 41.75 1h5a n ASP 230 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1h5a n ASN 231 N -1.88 1.80 0.28 -1.12 6.94 -1.26 -4.25 115.26 115.77 1h5a n ASN 231 Ca 0.00 -2.02 0.12 0.00 -0.02 0.00 0.00 54.58 52.66 1h5a n ASN 231 Cb 0.26 -0.23 0.79 0.00 -2.36 0.00 0.00 39.78 38.23 1h5a n ASN 231 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1h5a h LYS 232 N 1.90 0.00 -0.90 -3.83 1.79 -1.93 -2.17 116.57 111.42 1h5a h LYS 232 Ca 0.00 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.62 1h5a h LYS 232 Cb 0.47 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.02 1h5a h LYS 232 CO 0.01 0.01 0.50 -0.92 -1.08 0.00 0.00 179.45 177.97 1h5a h TYR 233 N 0.00 0.88 -0.00 -1.35 3.20 -1.90 -1.49 116.97 116.31 1h5a h TYR 233 Ca -0.00 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.74 1h5a h TYR 233 Cb 0.02 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 1h5a h TYR 233 CO 0.00 0.23 -0.76 1.88 -1.64 0.00 0.00 178.16 177.87 1h5a h TYR 234 N 0.70 0.03 -0.60 -3.82 0.05 -1.73 -2.84 116.97 108.75 1h5a h TYR 234 Ca 0.49 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 59.18 1h5a h TYR 234 Cb 0.69 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 1h5a h TYR 234 CO -0.06 0.77 0.06 0.28 -1.05 0.00 0.00 178.16 178.16 1h5a h VAL 235 N 0.01 1.26 -0.40 -2.88 2.07 -1.34 -2.50 116.25 112.47 1h5a h VAL 235 Ca -0.01 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1h5a h VAL 235 Cb 1.34 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1h5a h VAL 235 CO 0.10 0.38 0.26 0.78 0.02 0.00 0.00 177.57 179.11 1h5a h ASN 236 N 0.94 0.46 -0.90 0.57 2.35 -1.17 -2.69 115.58 115.13 1h5a h ASN 236 Ca 0.18 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.96 1h5a h ASN 236 Cb 0.46 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 1h5a h ASN 236 CO 0.02 0.35 0.57 -0.07 -1.65 0.00 0.00 177.43 176.65 1h5a h LEU 237 N 0.54 0.92 -2.44 1.61 3.38 -1.25 0.26 115.31 118.32 1h5a h LEU 237 Ca 0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1h5a h LEU 237 Cb -0.05 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1h5a h LEU 237 CO -0.03 0.60 -0.03 -0.33 0.09 0.00 0.00 178.44 178.74 1h5a h GLU 238 N 1.06 0.00 -0.53 1.13 5.08 -1.12 -0.63 114.58 119.57 1h5a h GLU 238 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1h5a h GLU 238 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1h5a h GLU 238 CO -0.16 0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.27 1h5a n GLU 239 N -3.58 3.49 -2.81 2.33 1.02 -0.38 -4.94 120.64 115.77 1h5a n GLU 239 Ca -0.03 -2.75 -0.18 0.00 -0.02 0.00 0.00 57.16 54.19 1h5a n GLU 239 Cb 0.12 -1.79 0.03 0.00 -0.02 0.00 0.00 31.44 29.78 1h5a n GLU 239 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1h5a n GLN 240 N 0.73 -3.68 -0.55 3.49 1.13 -0.24 -4.58 117.38 113.68 1h5a n GLN 240 Ca 0.23 0.74 0.03 0.00 -1.94 0.00 0.00 57.00 56.06 1h5a n GLN 240 Cb 0.82 -5.22 0.21 0.00 0.11 0.00 0.00 30.24 26.16 1h5a n GLN 240 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1h5a n LYS 241 N -3.30 2.15 -2.23 -1.09 5.02 0.76 -0.62 118.16 118.84 1h5a n LYS 241 Ca -0.10 -2.97 -0.40 0.00 -2.02 0.00 0.00 58.31 52.82 1h5a n LYS 241 Cb 0.60 -1.77 -0.02 0.00 -0.02 0.00 0.00 35.03 33.82 1h5a n LYS 241 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h5a s GLY 242 N -2.40 2.97 -0.04 0.72 0.00 -1.26 -4.69 107.32 102.62 1h5a s GLY 242 Ca 0.41 1.10 -0.22 0.00 0.00 0.00 0.00 44.72 46.02 1h5a s GLY 242 CO 0.03 1.70 0.92 -2.00 0.00 0.00 0.00 173.10 173.76 1h5a h LEU 243 N 3.19 -0.20-10.21 0.66 5.85 -1.93 -3.43 115.31 109.24 1h5a h LEU 243 Ca -0.48 -0.34 -0.46 0.00 0.84 0.00 0.00 57.88 57.44 1h5a h LEU 243 Cb 1.23 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1h5a h LEU 243 CO 0.65 0.33 -0.41 0.27 -0.34 0.00 0.00 178.44 178.94 1h5a s ILE 244 N -3.58 4.95 0.21 4.05 -4.36 -1.26 -4.95 121.20 116.25 1h5a s ILE 244 Ca -0.13 -1.01 -0.11 0.00 -0.26 0.00 0.00 60.65 59.15 1h5a s ILE 244 Cb 0.01 -3.74 0.17 0.00 1.25 0.00 0.00 42.46 40.15 1h5a s ILE 244 CO 0.49 -0.29 1.69 -0.61 0.24 0.00 0.00 174.94 176.46 1h5a h GLN 245 N 1.12 0.17 0.00 0.37 4.15 -1.87 -0.56 115.11 118.49 1h5a h GLN 245 Ca -0.50 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.90 1h5a h GLN 245 Cb 1.24 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 1h5a h GLN 245 CO 0.59 0.11 -0.03 0.66 -1.93 0.00 0.00 178.83 178.24 1h5a h SER 246 N 0.18 0.00 0.14 -0.69 4.64 -1.60 -1.20 113.55 115.03 1h5a h SER 246 Ca 0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1h5a h SER 246 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1h5a h SER 246 CO -0.45 0.03 -0.07 0.44 -0.87 0.00 0.00 176.83 175.91 1h5a h ASP 247 N 0.00 -0.16 0.18 4.97 3.32 -1.43 -3.34 116.42 119.95 1h5a h ASP 247 Ca -0.00 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 1h5a h ASP 247 Cb 0.09 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1h5a h ASP 247 CO 0.00 0.41 -0.11 -0.61 -1.72 0.00 0.00 179.24 177.22 1h5a h GLN 248 N -0.97 0.00 0.00 3.56 5.75 -1.20 -2.52 115.11 119.72 1h5a h GLN 248 Ca -0.02 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1h5a h GLN 248 Cb 0.43 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.98 1h5a h GLN 248 CO 0.03 0.11 -0.04 0.93 -2.65 0.00 0.00 178.83 177.21 1h5a h GLU 249 N 0.00 0.00 0.00 1.69 4.39 -1.34 -0.03 114.58 119.29 1h5a h GLU 249 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1h5a h GLU 249 Cb 0.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1h5a h GLU 249 CO 0.01 0.04 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.75 1h5a h LEU 250 N 0.00 0.00 0.00 1.33 3.38 -1.59 -1.90 115.31 116.53 1h5a h LEU 250 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1h5a h LEU 250 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1h5a h LEU 250 CO 0.01 0.08 -1.61 0.33 0.09 0.00 0.00 178.44 177.34 1h5a n PHE 251 N -3.80 0.00 0.64 1.13 7.35 -0.67 -3.56 117.46 118.54 1h5a n PHE 251 Ca -0.02 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.73 1h5a n PHE 251 Cb 0.18 -0.43 -0.06 0.00 0.35 0.00 0.00 39.48 39.51 1h5a n PHE 251 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1h5a n SER 252 N -2.31 0.78 -4.76 -2.13 7.64 -0.11 -4.86 113.62 107.87 1h5a n SER 252 Ca -0.14 -0.89 -0.37 0.00 1.01 0.00 0.00 58.87 58.48 1h5a n SER 252 Cb 0.76 0.91 0.02 0.00 -1.01 0.00 0.00 64.21 64.89 1h5a n SER 252 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1h5a s SER 253 N -2.19 5.67 0.51 6.43 0.15 -0.72 -4.88 113.70 118.67 1h5a s SER 253 Ca 0.06 2.48 0.34 0.00 0.70 0.00 0.00 55.95 59.53 1h5a s SER 253 Cb 0.10 -2.61 1.69 0.00 -1.71 0.00 0.00 66.02 63.49 1h5a s SER 253 CO 0.52 -1.27 2.03 -0.65 1.20 0.00 0.00 173.24 175.07 1h5a h PRO 254 N 1.62 0.00 -0.68 5.44 0.11 -1.96 -0.72 132.00 135.81 1h5a h PRO 254 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h5a h PRO 254 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1h5a h PRO 254 CO 0.58 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.66 1h5a n ASN 255 N -2.79 4.48 -1.07 -2.05 4.05 -1.26 -4.53 115.26 112.09 1h5a n ASN 255 Ca -0.01 -2.32 0.03 0.00 0.45 0.00 0.00 54.58 52.73 1h5a n ASN 255 Cb 0.15 -0.55 0.18 0.00 1.23 0.00 0.00 39.78 40.78 1h5a n ASN 255 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1h5a n ALA 256 N 1.26 3.04 -0.19 5.20 0.00 -0.28 -4.41 120.51 125.13 1h5a n ALA 256 Ca 0.25 -0.83 0.11 0.00 0.00 0.00 0.00 53.44 52.97 1h5a n ALA 256 Cb 0.81 -1.05 0.42 0.00 0.00 0.00 0.00 19.45 19.63 1h5a n ALA 256 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1h5a h THR 257 N 1.85 0.90 0.00 0.00 2.02 -1.82 -0.50 112.91 115.36 1h5a h THR 257 Ca 0.00 -0.21 -0.14 0.00 0.77 0.00 0.00 66.41 66.83 1h5a h THR 257 Cb 1.08 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1h5a h THR 257 CO 0.19 0.11 -1.18 -2.24 0.37 0.00 0.00 175.52 172.78 1h5a h ASP 258 N 0.61 0.00 0.66 4.18 2.03 -1.97 -3.38 116.42 118.54 1h5a h ASP 258 Ca 0.36 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.43 1h5a h ASP 258 Cb 0.56 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.02 1h5a h ASP 258 CO -0.13 0.50 -1.48 0.71 -1.03 0.00 0.00 179.24 177.81 1h5a h THR 259 N 0.00 0.74 -0.30 1.15 1.35 -1.67 -3.38 112.91 110.79 1h5a h THR 259 Ca -0.11 -2.40 0.04 0.00 -0.55 0.00 0.00 66.41 63.39 1h5a h THR 259 Cb 1.48 2.27 -0.04 0.00 -1.73 0.00 0.00 68.15 70.13 1h5a h THR 259 CO 0.05 0.42 0.06 0.40 -0.25 0.00 0.00 175.52 176.19 1h5a h ILE 260 N 0.00 0.85 0.00 6.82 2.04 -1.16 -0.25 117.51 125.81 1h5a h ILE 260 Ca -0.20 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1h5a h ILE 260 Cb 1.78 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1h5a h ILE 260 CO 0.07 0.03 -0.15 1.55 0.00 0.00 0.00 178.15 179.65 1h5a h PRO 261 N 0.17 0.00 -0.18 2.37 0.13 -1.78 -1.09 132.00 131.62 1h5a h PRO 261 Ca 0.14 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.14 1h5a h PRO 261 Cb 0.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1h5a h PRO 261 CO -0.19 0.15 -0.42 -0.07 -0.23 0.00 0.00 178.00 177.24 1h5a h LEU 262 N 0.00 0.68 -0.43 1.56 3.38 -1.52 -1.13 115.31 117.85 1h5a h LEU 262 Ca -0.00 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.42 1h5a h LEU 262 Cb 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1h5a h LEU 262 CO 0.02 1.12 0.26 0.58 0.09 0.00 0.00 178.44 180.51 1h5a h VAL 263 N 0.27 1.06 -0.44 1.22 2.07 -0.54 -1.23 116.25 118.65 1h5a h VAL 263 Ca -0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1h5a h VAL 263 Cb 1.03 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1h5a h VAL 263 CO 0.09 0.10 0.20 0.03 0.02 0.00 0.00 177.57 178.01 1h5a h ARG 264 N 0.52 0.65 -0.61 1.57 3.08 -1.18 -1.15 114.38 117.27 1h5a h ARG 264 Ca 0.17 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1h5a h ARG 264 Cb -0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1h5a h ARG 264 CO -0.07 0.57 0.28 0.66 -1.07 0.00 0.00 179.97 180.35 1h5a h SER 265 N 0.58 0.77 0.97 7.04 4.64 -0.85 0.36 113.55 127.05 1h5a h SER 265 Ca 0.15 -0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 1h5a h SER 265 Cb 0.15 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1h5a h SER 265 CO -0.02 0.66 -0.68 -0.26 -0.87 0.00 0.00 176.83 175.67 1h5a h PHE 266 N 0.85 0.00 0.01 4.77 0.04 -1.01 -2.45 116.94 119.16 1h5a h PHE 266 Ca 0.21 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.78 1h5a h PHE 266 Cb 0.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1h5a h PHE 266 CO 0.01 0.68 -0.93 0.00 -0.60 0.00 0.00 178.31 177.47 1h5a h ALA 267 N 1.32 0.48 0.00 2.45 0.00 -0.66 -3.29 119.26 119.56 1h5a h ALA 267 Ca -0.01 -0.80 -0.17 0.00 0.00 0.00 0.00 54.91 53.93 1h5a h ALA 267 Cb 1.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1h5a h ALA 267 CO 0.09 1.05 -0.81 -0.91 0.00 0.00 0.00 179.25 178.67 1h5a h ASN 268 N 0.04 0.00 -3.31 0.00 -0.26 -0.88 -3.45 115.58 107.71 1h5a h ASN 268 Ca -0.03 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.37 1h5a h ASN 268 Cb 1.60 0.00 -0.37 0.00 -1.06 0.00 0.00 38.32 38.49 1h5a h ASN 268 CO 0.13 0.81 -0.71 -0.55 -1.06 0.00 0.00 177.43 176.05 1h5a s SER 269 N -6.68 0.81 0.19 5.81 0.15 -0.93 -5.01 113.70 108.03 1h5a s SER 269 Ca 0.01 0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.68 1h5a s SER 269 Cb 0.10 -0.03 0.10 0.00 -1.71 0.00 0.00 66.02 64.49 1h5a s SER 269 CO 0.79 -0.22 1.77 0.74 1.20 0.00 0.00 173.24 177.51 1h5a h THR 270 N 6.38 1.23 -0.67 6.45 2.02 -1.87 -2.02 112.91 124.43 1h5a h THR 270 Ca -0.20 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.33 1h5a h THR 270 Cb 1.12 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1h5a h THR 270 CO 0.22 0.27 0.44 -0.61 0.37 0.00 0.00 175.52 176.21 1h5a h GLN 271 N 0.92 0.88 -0.45 6.66 4.15 -1.95 0.21 115.11 125.54 1h5a h GLN 271 Ca 0.23 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1h5a h GLN 271 Cb 0.14 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1h5a h GLN 271 CO -0.03 0.58 0.22 1.15 -1.93 0.00 0.00 178.83 178.82 1h5a h THR 272 N 0.90 1.18 0.26 2.39 2.02 -1.81 -0.93 112.91 116.92 1h5a h THR 272 Ca 0.25 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1h5a h THR 272 Cb -0.10 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1h5a h THR 272 CO -0.06 0.20 -0.13 0.15 0.37 0.00 0.00 175.52 176.05 1h5a h PHE 273 N 0.58 -0.32 -0.83 3.16 3.57 -0.87 -2.20 116.94 120.02 1h5a h PHE 273 Ca 0.15 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.75 1h5a h PHE 273 Cb 0.11 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.89 1h5a h PHE 273 CO -0.01 -0.06 0.47 0.74 -2.23 0.00 0.00 178.31 177.22 1h5a h PHE 274 N -0.57 0.84 -0.52 0.41 -1.00 -0.52 0.23 116.94 115.82 1h5a h PHE 274 Ca -0.04 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1h5a h PHE 274 Cb 0.41 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 1h5a h PHE 274 CO -0.00 0.33 0.18 -0.91 -1.61 0.00 0.00 178.31 176.30 1h5a h ASN 275 N 0.77 0.74 -0.11 2.17 2.35 -1.13 -1.92 115.58 118.45 1h5a h ASN 275 Ca 0.41 -0.19 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 1h5a h ASN 275 Cb 0.40 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1h5a h ASN 275 CO -0.26 0.73 -0.25 0.00 -1.65 0.00 0.00 177.43 176.00 1h5a h ALA 276 N 1.04 1.02 -0.36 -0.83 0.00 -0.66 -1.92 119.26 117.55 1h5a h ALA 276 Ca 0.17 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1h5a h ALA 276 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1h5a h ALA 276 CO -0.01 0.58 -0.02 0.35 0.00 0.00 0.00 179.25 180.16 1h5a h PHE 277 N 0.49 0.71 -0.44 0.00 3.57 -0.33 0.01 116.94 120.96 1h5a h PHE 277 Ca 0.07 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 1h5a h PHE 277 Cb 0.70 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1h5a h PHE 277 CO 0.03 0.76 0.13 0.28 -2.23 0.00 0.00 178.31 177.27 1h5a h VAL 278 N 0.46 1.22 -0.38 1.41 2.07 -1.25 0.23 116.25 120.01 1h5a h VAL 278 Ca 0.10 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1h5a h VAL 278 Cb 0.49 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1h5a h VAL 278 CO 0.02 0.27 0.23 -0.08 0.02 0.00 0.00 177.57 178.03 1h5a h GLU 279 N 0.57 0.51 -0.35 1.57 4.81 -1.21 -1.06 114.58 119.41 1h5a h GLU 279 Ca 0.14 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1h5a h GLU 279 Cb 0.28 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1h5a h GLU 279 CO -0.00 0.38 -0.36 0.00 -0.73 0.00 0.00 179.01 178.29 1h5a h ALA 280 N 1.10 0.71 -0.61 2.92 0.00 -0.83 -2.19 119.26 120.36 1h5a h ALA 280 Ca 0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1h5a h ALA 280 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1h5a h ALA 280 CO -0.03 0.66 0.32 0.52 0.00 0.00 0.00 179.25 180.73 1h5a h MET 281 N 0.67 0.86 -0.08 0.00 2.86 -0.30 0.13 114.93 119.06 1h5a h MET 281 Ca 0.06 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1h5a h MET 281 Cb 0.91 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1h5a h MET 281 CO 0.08 0.67 -0.42 -0.44 1.06 0.00 0.00 176.91 177.86 1h5a h ASP 282 N 0.83 0.18 -0.36 1.22 3.32 -1.12 0.39 116.42 120.88 1h5a h ASP 282 Ca 0.21 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1h5a h ASP 282 Cb 0.07 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1h5a h ASP 282 CO -0.03 0.59 -0.19 0.03 -1.72 0.00 0.00 179.24 177.92 1h5a h ARG 283 N 0.15 0.77 -0.54 3.56 3.08 -0.87 -2.37 114.38 118.16 1h5a h ARG 283 Ca 0.01 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.63 1h5a h ARG 283 Cb 0.81 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1h5a h ARG 283 CO 0.06 0.96 -0.02 1.98 -1.07 0.00 0.00 179.97 181.88 1h5a h MET 284 N 0.56 0.94 0.00 0.04 4.05 -0.68 -1.99 114.93 117.84 1h5a h MET 284 Ca 0.08 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1h5a h MET 284 Cb 0.74 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1h5a h MET 284 CO 0.06 0.94 0.00 0.41 0.23 0.00 0.00 176.91 178.54 1h5a n GLY 285 N -0.49 -0.83 1.16 1.39 0.00 0.10 -2.25 105.19 104.27 1h5a n GLY 285 Ca 0.03 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1h5a n GLY 285 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h5a n ASN 286 N -1.32 3.63 -4.66 1.61 4.05 -0.75 -4.83 115.26 113.00 1h5a n ASN 286 Ca 0.07 -1.99 -0.43 0.00 0.45 0.00 0.00 54.58 52.68 1h5a n ASN 286 Cb 0.13 -0.39 -0.02 0.00 1.23 0.00 0.00 39.78 40.73 1h5a n ASN 286 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1h5a s ILE 287 N -1.06 4.19 -0.33 -1.44 1.01 -0.95 -4.38 121.20 118.23 1h5a s ILE 287 Ca 0.41 1.44 -0.07 0.00 0.00 0.00 0.00 60.65 62.43 1h5a s ILE 287 Cb 0.22 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.76 1h5a s ILE 287 CO 0.29 -0.14 0.20 0.35 0.00 0.00 0.00 174.94 175.64 1h5a n THR 288 N 5.42 -0.84 -2.69 2.92 -2.24 -1.26 -2.97 114.28 112.62 1h5a n THR 288 Ca 0.14 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.47 1h5a n THR 288 Cb 0.45 -0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 67.90 1h5a n THR 288 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1h5a s PRO 289 N -4.86 4.12 -0.06 -0.78 0.04 -1.26 -4.51 135.00 127.69 1h5a s PRO 289 Ca 0.10 1.11 -0.18 0.00 0.04 0.00 0.00 61.00 62.07 1h5a s PRO 289 Cb -0.06 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 1h5a s PRO 289 CO 0.29 -0.13 0.48 -0.51 0.04 0.00 0.00 177.00 177.17 1h5a s LEU 290 N -3.42 4.35 0.31 -3.56 1.43 -1.26 -4.98 118.68 111.55 1h5a s LEU 290 Ca 0.62 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.68 1h5a s LEU 290 Cb -0.10 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 1h5a s LEU 290 CO 0.18 0.10 0.19 0.42 0.23 0.00 0.00 176.35 177.48 1h5a s THR 291 N 0.03 0.18 0.00 5.49 -4.23 -1.26 -0.52 115.64 115.34 1h5a s THR 291 Ca 0.26 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1h5a s THR 291 Cb -0.16 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1h5a s THR 291 CO 0.12 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 1h5a n GLY 292 N -0.58 1.64 0.64 3.99 0.00 -1.26 -1.34 105.19 108.27 1h5a n GLY 292 Ca 0.03 0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.38 1h5a n GLY 292 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h5a n THR 293 N 0.00 0.41 -2.46 2.61 -2.24 -1.26 -4.99 114.28 106.35 1h5a n THR 293 Ca 0.00 -0.71 -0.39 0.00 -2.27 0.00 0.00 64.05 60.69 1h5a n THR 293 Cb 0.00 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 69.15 1h5a n THR 293 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1h5a s GLN 294 N -1.07 4.39 2.89 -0.78 -0.21 -0.45 -4.80 119.66 119.63 1h5a s GLN 294 Ca 0.21 1.72 0.00 0.00 0.02 0.00 0.00 55.36 57.31 1h5a s GLN 294 Cb 0.13 -2.90 0.00 0.00 1.00 0.00 0.00 33.01 31.23 1h5a s GLN 294 CO 0.18 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.77 1h5a n GLY 295 N 0.83 0.41 3.51 3.09 0.00 -1.26 -4.43 105.19 107.34 1h5a n GLY 295 Ca 0.02 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 1h5a n GLY 295 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h5a s GLN 296 N 0.00 1.86 -0.60 1.61 -2.07 -0.88 -4.89 119.66 114.69 1h5a s GLN 296 Ca 0.00 -1.68 -0.13 0.00 -1.82 0.00 0.00 55.36 51.74 1h5a s GLN 296 Cb 0.00 0.45 0.15 0.00 -1.09 0.00 0.00 33.01 32.52 1h5a s GLN 296 CO 0.00 -0.78 0.53 0.42 -1.32 0.00 0.00 175.29 174.14 1h5a s ILE 297 N -3.16 4.95 0.23 3.63 -1.09 -1.26 -0.54 121.20 123.96 1h5a s ILE 297 Ca 0.29 -1.94 -0.31 0.00 -2.23 0.00 0.00 60.65 56.46 1h5a s ILE 297 Cb -0.00 -4.16 -0.10 0.00 -1.58 0.00 0.00 42.46 36.61 1h5a s ILE 297 CO 0.18 -0.89 1.52 -0.60 -1.23 0.00 0.00 174.94 173.93 1h5a s ARG 298 N 1.03 4.21 -0.01 2.79 3.52 -1.26 -4.93 118.95 124.31 1h5a s ARG 298 Ca 0.09 2.39 -0.07 0.00 -0.13 0.00 0.00 55.73 58.01 1h5a s ARG 298 Cb -0.23 -3.10 -0.30 0.00 -1.56 0.00 0.00 34.95 29.76 1h5a s ARG 298 CO -0.02 -0.53 0.83 -0.07 -0.81 0.00 0.00 175.30 174.70 1h5a h LEU 299 N 5.60 0.51 -7.91 -0.88 3.38 -1.95 -3.42 115.31 110.65 1h5a h LEU 299 Ca -0.45 -0.70 -0.66 0.00 0.09 0.00 0.00 57.88 56.16 1h5a h LEU 299 Cb 1.21 -0.17 -0.36 0.00 0.09 0.00 0.00 40.66 41.43 1h5a h LEU 299 CO 0.83 1.58 -0.82 0.21 0.09 0.00 0.00 178.44 180.33 1h5a s ASN 300 N -7.15 3.95 0.49 -0.43 3.84 -1.26 -4.91 114.94 109.47 1h5a s ASN 300 Ca -0.11 -1.13 0.30 0.00 0.21 0.00 0.00 52.86 52.13 1h5a s ASN 300 Cb 0.06 -1.48 1.62 0.00 -0.55 0.00 0.00 41.25 40.90 1h5a s ASN 300 CO 0.87 -0.13 1.90 0.00 -2.79 0.00 0.00 177.10 176.94 1h5a h ARG 302 N 0.00 0.00 -4.24 0.00 3.08 -1.96 -3.30 114.38 107.97 1h5a h ARG 302 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1h5a h ARG 302 Cb 0.17 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.02 1h5a h ARG 302 CO 0.00 0.00 -0.71 0.14 -1.07 0.00 0.00 179.97 178.33 1h5a s VAL 303 N -3.21 0.29 0.42 2.04 -7.23 -0.80 -1.21 120.40 110.70 1h5a s VAL 303 Ca 0.06 -1.18 -0.23 0.00 -1.81 0.00 0.00 61.98 58.82 1h5a s VAL 303 Cb 0.09 -0.67 -0.08 0.00 0.56 0.00 0.00 36.38 36.28 1h5a s VAL 303 CO 0.69 -0.57 1.09 -0.69 -0.31 0.00 0.00 175.10 175.31 1h5a s VAL 304 N -1.99 3.49 0.58 1.32 1.01 -1.26 -4.52 120.40 119.03 1h5a s VAL 304 Ca -0.09 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 62.82 1h5a s VAL 304 Cb -0.06 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1h5a s VAL 304 CO -0.02 -0.01 1.27 0.20 0.00 0.00 0.00 175.10 176.54 1h5a s ASN 305 N -1.50 5.13 0.00 3.32 0.01 -1.26 -5.04 114.94 115.60 1h5a s ASN 305 Ca 0.60 2.56 0.00 0.00 -0.71 0.00 0.00 52.86 55.31 1h5a s ASN 305 Cb -0.24 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.80 1h5a s ASN 305 CO 0.30 -1.64 0.23 -1.54 -1.51 0.00 0.00 177.10 172.94