#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5m s LEU 2 N 0.00 3.96 -0.05 1.08 1.43 -1.26 -4.98 118.68 118.85 1h5m s LEU 2 Ca 0.00 1.98 -0.05 0.00 -1.03 0.00 0.00 54.13 55.03 1h5m s LEU 2 Cb 0.00 -4.42 0.01 0.00 0.03 0.00 0.00 46.19 41.82 1h5m s LEU 2 CO 0.00 -0.68 0.14 0.28 0.23 0.00 0.00 176.35 176.32 1h5m s THR 3 N -1.85 0.00 0.52 5.49 -1.32 -0.07 -4.73 115.64 113.68 1h5m s THR 3 Ca 0.64 -0.01 0.35 0.00 -1.21 0.00 0.00 61.69 61.46 1h5m s THR 3 Cb -0.19 -0.20 0.38 0.00 -1.51 0.00 0.00 72.50 70.98 1h5m s THR 3 CO 0.23 -0.00 2.23 -0.65 -2.21 0.00 0.00 174.62 174.21 1h5m h PRO 4 N 5.91 0.00 -0.38 7.08 0.11 -1.84 0.13 132.00 143.01 1h5m h PRO 4 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1h5m h PRO 4 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1h5m h PRO 4 CO 0.42 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 178.49 1h5m n THR 5 N -3.44 0.51 -0.33 -1.15 -2.24 -1.26 -4.62 114.28 101.74 1h5m n THR 5 Ca -0.02 -0.58 0.25 0.00 -2.27 0.00 0.00 64.05 61.42 1h5m n THR 5 Cb 0.14 0.44 0.49 0.00 -2.10 0.00 0.00 70.33 69.30 1h5m n THR 5 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1h5m h PHE 6 N 2.93 0.89 -0.43 4.78 3.57 -1.78 -1.02 116.94 125.87 1h5m h PHE 6 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1h5m h PHE 6 Cb 0.66 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1h5m h PHE 6 CO 0.25 -0.23 0.00 0.66 -2.23 0.00 0.00 178.31 176.76 1h5m n TYR 7 N -5.10 0.84 0.31 0.41 4.01 -1.26 -4.64 117.16 111.74 1h5m n TYR 7 Ca 0.32 -0.61 0.18 0.00 -0.16 0.00 0.00 57.90 57.64 1h5m n TYR 7 Cb 1.02 -0.14 1.03 0.00 -0.31 0.00 0.00 39.34 40.94 1h5m n TYR 7 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1h5m h ASP 8 N 2.65 0.00 0.00 7.72 3.32 -1.45 0.63 116.42 129.29 1h5m h ASP 8 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1h5m h ASP 8 Cb 1.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 1h5m h ASP 8 CO 0.10 0.01 -2.02 0.59 -1.72 0.00 0.00 179.24 176.19 1h5m n ASN 9 N -3.54 2.38 0.13 6.45 3.02 -1.26 -4.18 115.26 118.26 1h5m n ASN 9 Ca -0.03 -0.03 0.01 0.00 -0.03 0.00 0.00 54.58 54.49 1h5m n ASN 9 Cb 0.09 -0.33 0.07 0.00 -0.61 0.00 0.00 39.78 39.00 1h5m n ASN 9 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1h5m h SER 10 N -0.13 0.00 0.00 6.41 4.64 -1.82 -3.41 113.55 119.24 1h5m h SER 10 Ca -0.41 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.71 1h5m h SER 10 Cb 1.58 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.53 1h5m h SER 10 CO -0.10 0.60 -0.41 0.00 -0.87 0.00 0.00 176.83 176.05 1h5m h PRO 12 N 3.71 0.00 -0.50 0.00 0.13 -1.56 -2.47 132.00 131.30 1h5m h PRO 12 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1h5m h PRO 12 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1h5m h PRO 12 CO 0.23 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.09 1h5m n ASN 13 N -3.26 3.16 -0.09 1.44 5.03 -1.26 -4.54 115.26 115.75 1h5m n ASN 13 Ca -0.03 -1.97 -0.07 0.00 0.87 0.00 0.00 54.58 53.38 1h5m n ASN 13 Cb 0.08 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 38.51 1h5m n ASN 13 CO 0.00 0.00 0.00 1.62 -1.83 0.00 0.00 177.26 177.05 1h5m h VAL 14 N 3.70 0.93 -0.84 2.41 3.04 -1.80 -1.52 116.25 122.17 1h5m h VAL 14 Ca 0.00 -0.09 0.01 0.00 -1.01 0.00 0.00 66.70 65.61 1h5m h VAL 14 Cb 0.83 0.63 -0.04 0.00 -2.01 0.00 0.00 31.29 30.70 1h5m h VAL 14 CO 0.00 0.05 0.56 -1.28 -1.01 0.00 0.00 177.57 175.89 1h5m h SER 15 N 0.27 0.96 0.00 3.17 0.87 -1.84 -1.53 113.55 115.45 1h5m h SER 15 Ca 0.14 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 1h5m h SER 15 Cb 0.10 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1h5m h SER 15 CO -0.13 0.69 -0.49 0.78 -0.53 0.00 0.00 176.83 177.15 1h5m h ASN 16 N 1.13 0.60 -0.53 6.23 2.35 -1.78 -1.30 115.58 122.28 1h5m h ASN 16 Ca 0.31 -0.30 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 1h5m h ASN 16 Cb -0.12 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1h5m h ASN 16 CO -0.07 0.99 -0.14 0.40 -1.65 0.00 0.00 177.43 176.96 1h5m h ILE 17 N 0.44 1.27 -0.28 2.81 2.04 -0.79 -0.90 117.51 122.10 1h5m h ILE 17 Ca 0.02 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 1h5m h ILE 17 Cb 1.01 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1h5m h ILE 17 CO 0.09 0.46 0.04 0.58 0.00 0.00 0.00 178.15 179.32 1h5m h VAL 18 N 0.90 1.24 -0.25 1.67 2.07 -1.21 -2.24 116.25 118.43 1h5m h VAL 18 Ca 0.13 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1h5m h VAL 18 Cb 0.71 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1h5m h VAL 18 CO 0.05 0.26 0.15 -0.09 0.02 0.00 0.00 177.57 177.96 1h5m h ARG 19 N 0.27 0.29 -0.97 1.57 2.43 -1.11 -2.14 114.38 114.73 1h5m h ARG 19 Ca 0.08 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1h5m h ARG 19 Cb 0.35 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 1h5m h ARG 19 CO 0.01 0.19 0.62 -0.44 -1.51 0.00 0.00 179.97 178.85 1h5m h ASP 20 N 0.30 1.01 -0.59 -3.80 3.32 -1.08 0.07 116.42 115.66 1h5m h ASP 20 Ca 0.10 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1h5m h ASP 20 Cb -0.00 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1h5m h ASP 20 CO -0.05 0.66 0.26 0.74 -1.72 0.00 0.00 179.24 179.14 1h5m h THR 21 N 1.16 1.22 -0.33 0.35 2.02 -0.98 -1.96 112.91 114.39 1h5m h THR 21 Ca 0.41 -0.64 -0.16 0.00 0.77 0.00 0.00 66.41 66.78 1h5m h THR 21 Cb 0.12 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1h5m h THR 21 CO -0.16 0.26 -0.44 0.40 0.37 0.00 0.00 175.52 175.95 1h5m h ILE 22 N 0.81 1.28 -0.54 3.11 2.04 -0.78 -2.07 117.51 121.36 1h5m h ILE 22 Ca 0.20 -1.62 0.03 0.00 1.00 0.00 0.00 64.86 64.47 1h5m h ILE 22 Cb 0.16 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1h5m h ILE 22 CO -0.02 0.53 0.32 0.58 0.00 0.00 0.00 178.15 179.56 1h5m h VAL 23 N 0.67 1.03 -0.28 1.67 2.07 -0.86 0.16 116.25 120.71 1h5m h VAL 23 Ca 0.04 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1h5m h VAL 23 Cb 1.04 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1h5m h VAL 23 CO 0.10 0.11 0.08 0.78 0.02 0.00 0.00 177.57 178.67 1h5m h ASN 24 N 0.62 0.40 -0.52 0.57 2.35 -1.30 -3.06 115.58 114.65 1h5m h ASN 24 Ca 0.22 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1h5m h ASN 24 Cb 0.05 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1h5m h ASN 24 CO -0.11 0.50 0.15 -0.08 -1.65 0.00 0.00 177.43 176.24 1h5m h GLU 25 N 0.28 0.87 -0.13 0.81 4.57 -1.04 -2.73 114.58 117.21 1h5m h GLU 25 Ca 0.09 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1h5m h GLU 25 Cb 0.25 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1h5m h GLU 25 CO -0.00 0.77 0.15 -0.07 -1.18 0.00 0.00 179.01 178.68 1h5m h LEU 26 N 0.84 0.00 -1.00 1.64 3.38 -0.86 0.76 115.31 120.07 1h5m h LEU 26 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1h5m h LEU 26 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1h5m h LEU 26 CO -0.00 0.00 -0.10 0.03 0.09 0.00 0.00 178.44 178.45 1h5m h ARG 27 N 0.00 0.60 0.00 1.13 3.08 -1.51 -3.13 114.38 114.55 1h5m h ARG 27 Ca 0.06 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 1h5m h ARG 27 Cb 0.37 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1h5m h ARG 27 CO -0.00 0.70 -2.14 -1.13 -1.07 0.00 0.00 179.97 176.33 1h5m n SER 28 N -4.19 0.09 -3.60 7.04 3.41 -0.69 -4.79 113.62 110.89 1h5m n SER 28 Ca 0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.33 1h5m n SER 28 Cb 0.33 1.57 -0.13 0.00 -0.26 0.00 0.00 64.21 65.71 1h5m n SER 28 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h5m s ASP 29 N -4.88 3.43 0.00 4.04 2.15 0.18 -4.98 116.67 116.61 1h5m s ASP 29 Ca -0.09 -2.12 0.09 0.00 0.43 0.00 0.00 52.55 50.87 1h5m s ASP 29 Cb 0.10 -0.67 0.44 0.00 -0.30 0.00 0.00 42.92 42.50 1h5m s ASP 29 CO 0.86 -0.33 1.18 -0.81 -0.17 0.00 0.00 175.17 175.90 1h5m n PRO 30 N 4.18 0.11 0.01 4.34 -0.04 -1.19 -2.30 135.00 140.12 1h5m n PRO 30 Ca 0.06 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 1h5m n PRO 30 Cb 0.38 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 1h5m n PRO 30 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1h5m n ARG 31 N -1.31 0.17 -0.14 0.54 0.63 -1.26 -4.54 116.66 110.76 1h5m n ARG 31 Ca 0.04 -0.01 0.12 0.00 -0.92 0.00 0.00 57.85 57.07 1h5m n ARG 31 Cb 0.08 -1.54 0.46 0.00 0.45 0.00 0.00 32.46 31.90 1h5m n ARG 31 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1h5m h ILE 32 N 0.00 0.89 -0.27 5.15 6.09 -1.82 -1.85 117.51 125.70 1h5m h ILE 32 Ca 0.00 -0.18 -0.02 0.00 -1.37 0.00 0.00 64.86 63.30 1h5m h ILE 32 Cb 0.64 0.34 -0.01 0.00 0.47 0.00 0.00 36.82 38.25 1h5m h ILE 32 CO 0.00 0.09 0.10 0.00 -3.07 0.00 0.00 178.15 175.27 1h5m h ALA 33 N 1.66 0.36 -0.40 0.18 0.00 -1.83 -0.39 119.26 118.83 1h5m h ALA 33 Ca 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1h5m h ALA 33 Cb 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1h5m h ALA 33 CO -0.10 -0.03 0.18 0.00 0.00 0.00 0.00 179.25 179.29 1h5m h ALA 34 N 0.94 0.51 -0.79 0.00 0.00 -1.76 -2.09 119.26 116.07 1h5m h ALA 34 Ca 0.09 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1h5m h ALA 34 Cb 0.20 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1h5m h ALA 34 CO -0.01 0.09 0.50 0.77 0.00 0.00 0.00 179.25 180.60 1h5m h SER 35 N 0.50 0.81 -0.47 0.00 0.02 -1.09 -1.84 113.55 111.47 1h5m h SER 35 Ca 0.13 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.97 1h5m h SER 35 Cb 0.14 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1h5m h SER 35 CO -0.02 0.55 -0.17 0.40 -1.14 0.00 0.00 176.83 176.45 1h5m h ILE 36 N 0.96 1.27 -0.81 3.27 2.04 -0.87 -1.73 117.51 121.64 1h5m h ILE 36 Ca 0.32 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1h5m h ILE 36 Cb 0.05 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1h5m h ILE 36 CO -0.13 0.45 0.52 0.25 0.00 0.00 0.00 178.15 179.25 1h5m h LEU 37 N 0.79 0.94 -1.01 1.44 5.85 -1.05 -2.11 115.31 120.17 1h5m h LEU 37 Ca 0.11 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1h5m h LEU 37 Cb 0.74 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1h5m h LEU 37 CO 0.06 0.69 0.02 -0.09 -0.34 0.00 0.00 178.44 178.78 1h5m h ARG 38 N 1.10 0.74 -0.97 1.25 2.43 -1.10 -2.34 114.38 115.49 1h5m h ARG 38 Ca 0.29 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1h5m h ARG 38 Cb -0.10 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.30 1h5m h ARG 38 CO -0.06 0.74 0.61 -0.07 -1.51 0.00 0.00 179.97 179.68 1h5m h LEU 39 N 0.70 1.14 -0.57 3.80 3.38 -0.65 -0.37 115.31 122.75 1h5m h LEU 39 Ca 0.14 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1h5m h LEU 39 Cb 0.40 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1h5m h LEU 39 CO 0.01 0.85 0.09 -0.74 0.09 0.00 0.00 178.44 178.75 1h5m h HIS 40 N 1.33 0.99 0.05 1.13 2.76 -1.08 -0.28 115.15 120.05 1h5m h HIS 40 Ca 0.35 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1h5m h HIS 40 Cb -0.10 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.58 1h5m h HIS 40 CO 0.00 0.87 -0.02 0.35 -1.30 0.00 0.00 177.93 177.83 1h5m h PHE 41 N 0.83 -0.06 0.00 5.26 3.57 -0.91 -0.50 116.94 125.13 1h5m h PHE 41 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1h5m h PHE 41 Cb 0.41 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1h5m h PHE 41 CO 0.03 0.02 0.00 0.45 -2.23 0.00 0.00 178.31 176.58 1h5m h HIS 42 N -0.12 0.00 0.03 0.41 3.86 -0.93 -1.89 115.15 116.50 1h5m h HIS 42 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1h5m h HIS 42 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1h5m h HIS 42 CO -0.06 0.00 -0.01 0.22 0.86 0.00 0.00 177.93 178.94 1h5m h ASP 43 N 0.00 -0.03 -0.22 2.45 3.58 -0.43 -3.36 116.42 118.41 1h5m h ASP 43 Ca 0.00 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 56.81 1h5m h ASP 43 Cb 0.36 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1h5m h ASP 43 CO 0.00 0.75 0.15 0.00 -2.88 0.00 0.00 179.24 177.26 1h5m n PHE 45 N -4.50 0.00 -3.73 0.00 3.01 -0.73 -2.84 117.46 108.66 1h5m n PHE 45 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.17 1h5m n PHE 45 Cb 0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.39 1h5m n PHE 45 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1h5m s VAL 46 N -2.00 0.84 -1.49 -4.37 1.01 -0.93 -4.69 120.40 108.77 1h5m s VAL 46 Ca 0.38 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1h5m s VAL 46 Cb 0.18 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1h5m s VAL 46 CO 0.30 -0.67 0.00 -3.20 0.00 0.00 0.00 175.10 171.53 1h5m n ASN 47 N 4.87 -5.16 0.00 3.32 5.15 -1.26 -4.74 115.26 117.43 1h5m n ASN 47 Ca -0.02 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1h5m n ASN 47 Cb 0.42 -3.89 0.00 0.00 -0.53 0.00 0.00 39.78 35.78 1h5m n ASN 47 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h5m n GLY 48 N -0.63 -0.58 3.57 8.20 0.00 -1.13 -4.65 105.19 109.97 1h5m n GLY 48 Ca -0.14 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1h5m n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5m n ASP 50 N 8.73 1.34 -1.71 0.00 5.75 -1.26 -4.75 116.55 124.66 1h5m n ASP 50 Ca 0.38 -2.30 -0.21 0.00 -0.01 0.00 0.00 54.79 52.65 1h5m n ASP 50 Cb 0.49 -0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 40.28 1h5m n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h5m n ALA 51 N -0.68 -0.36 0.14 2.12 0.00 -1.26 -0.91 120.51 119.56 1h5m n ALA 51 Ca 0.06 0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.85 1h5m n ALA 51 Cb 0.56 -2.07 0.43 0.00 0.00 0.00 0.00 19.45 18.37 1h5m n ALA 51 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h5m h SER 52 N 0.00 0.19 0.58 0.00 4.64 -1.86 -2.27 113.55 114.83 1h5m h SER 52 Ca -0.43 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 1h5m h SER 52 Cb 1.36 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1h5m h SER 52 CO 0.62 0.32 -0.10 -0.29 -0.87 0.00 0.00 176.83 176.51 1h5m h ILE 53 N 0.20 0.35 0.00 0.95 2.10 -1.89 -2.79 117.51 116.44 1h5m h ILE 53 Ca 0.04 -0.57 0.00 0.00 1.08 0.00 0.00 64.86 65.41 1h5m h ILE 53 Cb 0.31 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 1h5m h ILE 53 CO 0.02 0.09 0.00 0.18 -1.08 0.00 0.00 178.15 177.36 1h5m n LEU 54 N -3.39 0.77 -4.76 2.19 4.77 -0.85 -4.59 117.00 111.14 1h5m n LEU 54 Ca -0.01 0.57 -0.41 0.00 -0.03 0.00 0.00 56.01 56.14 1h5m n LEU 54 Cb 0.27 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1h5m n LEU 54 CO 0.29 -0.18 0.88 -0.76 -1.33 0.00 0.00 177.39 176.29 1h5m s LEU 55 N -4.44 4.49 0.59 2.23 1.43 -1.05 -4.00 118.68 117.92 1h5m s LEU 55 Ca 0.11 2.44 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1h5m s LEU 55 Cb 0.13 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.77 1h5m s LEU 55 CO 0.59 -0.33 0.83 -1.81 0.23 0.00 0.00 176.35 175.86 1h5m s ASP 56 N -0.60 5.02 0.62 2.29 1.01 -0.40 -4.46 116.67 120.15 1h5m s ASP 56 Ca 0.47 -0.17 -0.18 0.00 0.71 0.00 0.00 52.55 53.38 1h5m s ASP 56 Cb -0.35 -0.57 -0.03 0.00 1.01 0.00 0.00 42.92 42.97 1h5m s ASP 56 CO 0.45 -1.34 1.11 0.59 0.21 0.00 0.00 175.17 176.20 1h5m n ASN 57 N -2.46 1.37 -4.11 0.27 3.02 -1.26 -4.65 115.26 107.44 1h5m n ASN 57 Ca 0.10 0.82 -0.10 0.00 -0.03 0.00 0.00 54.58 55.38 1h5m n ASN 57 Cb 0.60 -1.46 -0.09 0.00 -0.61 0.00 0.00 39.78 38.22 1h5m n ASN 57 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1h5m s THR 58 N -1.45 0.07 -0.88 3.41 -4.23 -0.98 -4.99 115.64 106.60 1h5m s THR 58 Ca 0.78 -1.79 0.21 0.00 -1.18 0.00 0.00 61.69 59.71 1h5m s THR 58 Cb -0.40 -2.10 0.19 0.00 1.34 0.00 0.00 72.50 71.52 1h5m s THR 58 CO 0.45 -0.31 1.65 0.35 -0.54 0.00 0.00 174.62 176.21 1h5m n THR 59 N -0.17 0.70 -0.07 3.99 -2.24 -1.26 -3.31 114.28 111.92 1h5m n THR 59 Ca -0.04 0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1h5m n THR 59 Cb 0.64 -0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 67.84 1h5m n THR 59 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1h5m n SER 60 N -1.71 0.15 -3.85 3.42 3.41 -1.26 -4.99 113.62 108.79 1h5m n SER 60 Ca 0.04 0.07 -0.12 0.00 -0.26 0.00 0.00 58.87 58.60 1h5m n SER 60 Cb 0.24 0.99 -0.11 0.00 -0.26 0.00 0.00 64.21 65.07 1h5m n SER 60 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1h5m s PHE 61 N -2.69 -0.05 0.37 7.33 -0.12 -1.21 -5.14 117.98 116.47 1h5m s PHE 61 Ca -0.09 0.08 -0.13 0.00 -0.05 0.00 0.00 56.93 56.75 1h5m s PHE 61 Cb 0.08 -0.00 -0.08 0.00 -0.63 0.00 0.00 43.02 42.39 1h5m s PHE 61 CO 0.84 -0.23 0.76 1.03 -0.05 0.00 0.00 175.22 177.57 1h5m s ARG 62 N -0.92 3.90 0.40 1.99 1.81 -1.26 -2.30 118.95 122.56 1h5m s ARG 62 Ca -0.10 0.59 -0.24 0.00 -1.72 0.00 0.00 55.73 54.26 1h5m s ARG 62 Cb -0.05 -2.40 -0.09 0.00 -0.45 0.00 0.00 34.95 31.95 1h5m s ARG 62 CO 0.01 0.05 1.01 -0.08 -0.68 0.00 0.00 175.30 175.61 1h5m s THR 63 N -2.19 3.93 -0.75 0.02 -1.32 -1.26 -4.12 115.64 109.95 1h5m s THR 63 Ca 0.53 1.43 0.21 0.00 -1.21 0.00 0.00 61.69 62.65 1h5m s THR 63 Cb -0.10 -3.71 0.21 0.00 -1.51 0.00 0.00 72.50 67.38 1h5m s THR 63 CO 0.24 -0.04 1.65 -0.62 -2.21 0.00 0.00 174.62 173.65 1h5m n GLU 64 N -0.12 0.11 0.20 7.08 1.02 -1.26 -2.75 120.64 124.93 1h5m n GLU 64 Ca 0.05 0.29 0.14 0.00 -0.02 0.00 0.00 57.16 57.63 1h5m n GLU 64 Cb 0.51 -1.69 0.68 0.00 -0.02 0.00 0.00 31.44 30.92 1h5m n GLU 64 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1h5m h LYS 65 N 0.00 0.00 -0.62 3.49 1.57 -1.85 -1.20 116.57 117.96 1h5m h LYS 65 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h5m h LYS 65 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1h5m h LYS 65 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1h5m n ASP 66 N -2.51 4.94 -4.81 0.86 8.00 -1.11 -2.49 116.55 119.42 1h5m n ASP 66 Ca -0.00 -2.56 -0.32 0.00 0.71 0.00 0.00 54.79 52.62 1h5m n ASP 66 Cb 0.14 -0.60 0.01 0.00 -0.02 0.00 0.00 41.12 40.65 1h5m n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h5m s ALA 67 N -2.05 2.79 0.45 2.24 0.00 -0.45 -4.70 121.76 120.03 1h5m s ALA 67 Ca 0.52 0.30 0.14 0.00 0.00 0.00 0.00 51.96 52.92 1h5m s ALA 67 Cb 0.35 -3.20 1.05 0.00 0.00 0.00 0.00 23.12 21.32 1h5m s ALA 67 CO 0.23 -0.78 2.02 0.74 0.00 0.00 0.00 175.76 177.97 1h5m h PHE 68 N 0.33 0.37 0.00 0.00 0.04 -1.91 0.22 116.94 115.99 1h5m h PHE 68 Ca -0.46 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1h5m h PHE 68 Cb 1.21 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.24 1h5m h PHE 68 CO 0.60 0.19 -0.25 0.41 -0.60 0.00 0.00 178.31 178.66 1h5m n GLY 69 N -1.52 -1.44 0.06 -1.45 0.00 -1.26 -4.29 105.19 95.29 1h5m n GLY 69 Ca 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1h5m n GLY 69 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h5m n ASN 70 N -1.70 2.92 -4.67 1.61 3.02 -0.41 -4.55 115.26 111.48 1h5m n ASN 70 Ca 0.06 -0.06 -0.46 0.00 -0.03 0.00 0.00 54.58 54.09 1h5m n ASN 70 Cb 0.37 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.41 1h5m n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h5m n ALA 71 N -2.82 1.38 -3.28 5.41 0.00 0.65 -0.37 120.51 121.48 1h5m n ALA 71 Ca -0.22 0.44 -0.23 0.00 0.00 0.00 0.00 53.44 53.42 1h5m n ALA 71 Cb 0.76 -2.36 0.01 0.00 0.00 0.00 0.00 19.45 17.86 1h5m n ALA 71 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1h5m n ASN 72 N 3.57 -4.61 0.19 0.00 5.15 -1.26 -4.69 115.26 113.60 1h5m n ASN 72 Ca 0.17 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.77 1h5m n ASN 72 Cb 0.29 -3.77 0.00 0.00 -0.53 0.00 0.00 39.78 35.77 1h5m n ASN 72 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1h5m n SER 73 N -2.41 -1.97 -4.77 1.20 2.88 -0.57 -5.10 113.62 102.88 1h5m n SER 73 Ca -0.04 0.69 -0.40 0.00 -1.33 0.00 0.00 58.87 57.78 1h5m n SER 73 Cb 0.57 1.97 0.01 0.00 -0.75 0.00 0.00 64.21 66.00 1h5m n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h5m s ALA 74 N -1.99 3.25 0.26 -1.46 0.00 0.50 -5.00 121.76 117.32 1h5m s ALA 74 Ca 0.00 1.39 -0.15 0.00 0.00 0.00 0.00 51.96 53.19 1h5m s ALA 74 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1h5m s ALA 74 CO 0.00 -1.06 0.56 -0.98 0.00 0.00 0.00 175.76 174.27 1h5m s ARG 75 N -2.37 1.63 0.00 0.00 1.70 -1.26 -4.96 118.95 113.69 1h5m s ARG 75 Ca 0.59 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 1h5m s ARG 75 Cb -0.42 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1h5m s ARG 75 CO 0.54 -0.70 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 1h5m n GLY 76 N -0.41 0.71 0.32 3.88 0.00 -1.26 -4.58 105.19 103.85 1h5m n GLY 76 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1h5m n GLY 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1h5m h PHE 77 N 0.00 0.91 -0.10 1.61 0.04 -1.98 -1.37 116.94 116.05 1h5m h PHE 77 Ca 0.00 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 1h5m h PHE 77 Cb 0.00 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 1h5m h PHE 77 CO 0.00 0.35 -0.19 -1.35 -0.60 0.00 0.00 178.31 176.52 1h5m h PRO 78 N 0.81 0.16 -0.40 1.51 0.11 -1.99 -1.77 132.00 130.42 1h5m h PRO 78 Ca 0.43 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.40 1h5m h PRO 78 Cb 0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1h5m h PRO 78 CO -0.27 0.35 -0.17 0.28 -0.21 0.00 0.00 178.00 177.98 1h5m h VAL 79 N 0.15 1.26 -0.45 3.15 2.07 -1.68 -0.89 116.25 119.86 1h5m h VAL 79 Ca 0.03 -1.24 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 1h5m h VAL 79 Cb 0.42 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1h5m h VAL 79 CO 0.03 0.42 -0.17 0.40 0.02 0.00 0.00 177.57 178.27 1h5m h ILE 80 N 0.67 1.27 -0.90 4.57 1.08 -1.00 -2.13 117.51 121.06 1h5m h ILE 80 Ca 0.10 -1.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.28 1h5m h ILE 80 Cb 0.65 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 1h5m h ILE 80 CO 0.05 0.44 0.53 0.44 -0.69 0.00 0.00 178.15 178.92 1h5m h ASP 81 N 0.77 1.09 0.09 1.72 3.32 -0.83 -0.74 116.42 121.83 1h5m h ASP 81 Ca 0.11 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1h5m h ASP 81 Cb 0.69 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1h5m h ASP 81 CO 0.05 0.85 -0.04 -0.09 -1.72 0.00 0.00 179.24 178.28 1h5m h ARG 82 N 1.24 -0.11 -0.27 3.56 2.43 -0.80 -0.91 114.38 119.52 1h5m h ARG 82 Ca 0.32 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1h5m h ARG 82 Cb -0.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1h5m h ARG 82 CO -0.06 0.03 -0.18 0.00 -1.51 0.00 0.00 179.97 178.26 1h5m h MET 83 N -0.24 0.47 -0.50 0.20 -0.00 -1.25 -1.82 114.93 111.79 1h5m h MET 83 Ca -0.01 -0.15 -0.02 0.00 -0.00 0.00 0.00 59.70 59.52 1h5m h MET 83 Cb 0.20 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 31.74 1h5m h MET 83 CO 0.02 0.63 0.22 -0.22 -0.00 0.00 0.00 176.91 177.56 1h5m h LYS 84 N 0.43 0.73 -0.60 -0.10 1.63 -0.92 0.82 116.57 118.55 1h5m h LYS 84 Ca 0.07 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1h5m h LYS 84 Cb 0.56 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 1h5m h LYS 84 CO 0.04 0.62 0.31 0.00 -3.45 0.00 0.00 179.45 176.97 1h5m h ALA 85 N 1.06 0.77 -0.70 5.00 0.00 -0.87 0.14 119.26 124.67 1h5m h ALA 85 Ca 0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1h5m h ALA 85 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1h5m h ALA 85 CO -0.02 0.32 0.25 0.00 0.00 0.00 0.00 179.25 179.80 1h5m h ALA 86 N 1.13 0.91 -0.24 0.00 0.00 -0.98 -1.59 119.26 118.49 1h5m h ALA 86 Ca 0.21 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1h5m h ALA 86 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1h5m h ALA 86 CO -0.03 0.56 -0.46 0.28 0.00 0.00 0.00 179.25 179.60 1h5m h VAL 87 N 1.01 1.30 -0.08 0.00 2.07 -0.47 -2.38 116.25 117.69 1h5m h VAL 87 Ca 0.23 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 1h5m h VAL 87 Cb 0.26 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1h5m h VAL 87 CO -0.01 0.52 -0.23 -0.33 0.02 0.00 0.00 177.57 177.55 1h5m h GLU 88 N 0.50 0.14 -0.19 1.57 4.39 -0.43 0.38 114.58 120.94 1h5m h GLU 88 Ca 0.03 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1h5m h GLU 88 Cb 0.99 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1h5m h GLU 88 CO 0.09 0.37 -0.28 1.03 -1.16 0.00 0.00 179.01 179.06 1h5m h SER 89 N 0.13 0.58 0.20 1.42 0.87 -1.06 -1.97 113.55 113.72 1h5m h SER 89 Ca 0.02 -0.52 -0.21 0.00 -1.23 0.00 0.00 61.79 59.85 1h5m h SER 89 Cb 0.48 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1h5m h SER 89 CO 0.03 0.99 -0.84 0.00 -0.53 0.00 0.00 176.83 176.48 1h5m h ALA 90 N 0.61 0.43 -2.24 6.23 0.00 -1.11 -3.40 119.26 119.79 1h5m h ALA 90 Ca 0.02 -0.65 -0.53 0.00 0.00 0.00 0.00 54.91 53.75 1h5m h ALA 90 Cb 0.86 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.26 1h5m h ALA 90 CO 0.07 0.76 -0.90 0.00 0.00 0.00 0.00 179.25 179.18 1h5m n PRO 92 N 3.09 1.37 -4.22 0.00 -0.02 -0.74 -2.94 135.00 131.54 1h5m n PRO 92 Ca 0.25 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.88 1h5m n PRO 92 Cb 0.47 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 1h5m n PRO 92 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1h5m n ARG 93 N 2.21 -2.65 -0.03 -0.52 1.74 -1.26 -4.86 116.66 111.29 1h5m n ARG 93 Ca 0.16 0.32 -0.06 0.00 -0.77 0.00 0.00 57.85 57.50 1h5m n ARG 93 Cb 0.24 -4.77 -0.02 0.00 -1.02 0.00 0.00 32.46 26.89 1h5m n ARG 93 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1h5m n THR 94 N -4.37 0.36 -3.33 0.55 -1.04 -1.15 -5.00 114.28 100.31 1h5m n THR 94 Ca -0.04 -0.06 -0.39 0.00 -2.04 0.00 0.00 64.05 61.52 1h5m n THR 94 Cb 0.55 -1.59 -0.08 0.00 -1.82 0.00 0.00 70.33 67.39 1h5m n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1h5m s VAL 95 N -2.11 5.15 0.68 12.58 1.01 -1.26 -5.04 120.40 131.40 1h5m s VAL 95 Ca -0.08 0.75 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 1h5m s VAL 95 Cb 0.03 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1h5m s VAL 95 CO 0.10 0.18 1.11 -0.94 0.00 0.00 0.00 175.10 175.54 1h5m s SER 96 N 1.32 5.02 0.29 3.32 1.04 -1.26 -4.80 113.70 118.63 1h5m s SER 96 Ca 0.19 1.97 0.02 0.00 0.48 0.00 0.00 55.95 58.62 1h5m s SER 96 Cb -0.15 -2.55 0.45 0.00 0.10 0.00 0.00 66.02 63.87 1h5m s SER 96 CO 0.09 -1.69 1.76 0.00 0.98 0.00 0.00 173.24 174.38 1h5m h ALA 98 N 1.35 0.50 -0.36 0.00 0.00 -1.86 -0.27 119.26 118.62 1h5m h ALA 98 Ca 0.08 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1h5m h ALA 98 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1h5m h ALA 98 CO 0.04 -0.03 -0.26 -0.44 0.00 0.00 0.00 179.25 178.55 1h5m h ASP 99 N 0.52 0.85 -0.58 0.00 3.32 -1.74 -2.48 116.42 116.32 1h5m h ASP 99 Ca 0.14 -0.44 0.06 0.00 0.02 0.00 0.00 57.03 56.81 1h5m h ASP 99 Cb -0.04 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 1h5m h ASP 99 CO -0.03 1.11 0.29 0.25 -1.72 0.00 0.00 179.24 179.14 1h5m h LEU 100 N 0.60 0.41 -1.03 1.55 5.85 -0.80 -0.07 115.31 121.82 1h5m h LEU 100 Ca 0.07 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 1h5m h LEU 100 Cb 0.83 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1h5m h LEU 100 CO 0.07 0.27 -0.31 0.25 -0.34 0.00 0.00 178.44 178.38 1h5m h LEU 101 N 0.55 0.30 -0.27 2.25 5.85 -1.00 0.29 115.31 123.28 1h5m h LEU 101 Ca 0.26 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1h5m h LEU 101 Cb 0.19 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1h5m h LEU 101 CO -0.19 0.61 -0.06 0.74 -0.34 0.00 0.00 178.44 179.20 1h5m h THR 102 N 0.26 1.28 -0.55 1.05 2.02 -0.85 -1.16 112.91 114.97 1h5m h THR 102 Ca 0.04 -1.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.10 1h5m h THR 102 Cb 0.69 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1h5m h THR 102 CO 0.05 0.34 0.15 0.40 0.37 0.00 0.00 175.52 176.83 1h5m h ILE 103 N 0.27 1.24 -0.91 3.11 2.04 -0.82 -2.20 117.51 120.23 1h5m h ILE 103 Ca 0.07 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1h5m h ILE 103 Cb 0.53 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1h5m h ILE 103 CO 0.03 0.31 0.60 0.00 0.00 0.00 0.00 178.15 179.09 1h5m h ALA 104 N 1.02 1.41 -0.21 1.87 0.00 -0.81 0.79 119.26 123.32 1h5m h ALA 104 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1h5m h ALA 104 Cb 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1h5m h ALA 104 CO -0.00 0.51 0.02 0.00 0.00 0.00 0.00 179.25 179.78 1h5m h ALA 105 N 1.46 0.28 -0.39 0.00 0.00 -0.87 -0.47 119.26 119.27 1h5m h ALA 105 Ca 0.36 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1h5m h ALA 105 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1h5m h ALA 105 CO -0.10 -0.03 0.14 0.37 0.00 0.00 0.00 179.25 179.63 1h5m h GLN 106 N 0.14 0.60 -0.37 0.00 -0.00 -0.89 -1.61 115.11 112.98 1h5m h GLN 106 Ca 0.06 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.65 58.54 1h5m h GLN 106 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.72 1h5m h GLN 106 CO 0.01 0.58 -0.00 1.96 0.00 0.00 0.00 178.83 181.38 1h5m h GLN 107 N 0.49 0.58 -0.41 1.69 1.08 -0.82 -1.35 115.11 116.37 1h5m h GLN 107 Ca 0.13 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1h5m h GLN 107 Cb 0.22 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1h5m h GLN 107 CO -0.01 0.61 0.14 0.77 -0.95 0.00 0.00 178.83 179.39 1h5m h SER 108 N 0.55 0.58 -0.36 1.46 0.02 -0.73 0.11 113.55 115.18 1h5m h SER 108 Ca 0.12 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1h5m h SER 108 Cb 0.36 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1h5m h SER 108 CO 0.01 0.62 0.21 0.58 -1.14 0.00 0.00 176.83 177.12 1h5m h VAL 109 N 0.51 1.13 -0.31 2.27 2.07 -0.86 -1.93 116.25 119.13 1h5m h VAL 109 Ca 0.13 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1h5m h VAL 109 Cb 0.24 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1h5m h VAL 109 CO -0.01 0.13 0.11 0.74 0.02 0.00 0.00 177.57 178.56 1h5m h THR 110 N 0.47 1.19 -0.25 2.57 2.02 -1.04 0.17 112.91 118.04 1h5m h THR 110 Ca 0.13 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 66.72 1h5m h THR 110 Cb 0.02 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1h5m h THR 110 CO -0.02 0.21 0.17 -0.07 0.37 0.00 0.00 175.52 176.17 1h5m h LEU 111 N 0.36 0.25 -0.25 2.58 3.38 -0.64 -0.21 115.31 120.78 1h5m h LEU 111 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1h5m h LEU 111 Cb 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1h5m h LEU 111 CO -0.01 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1h5m n ALA 112 N -2.51 2.56 -0.00 1.53 0.00 -0.74 -4.85 120.51 116.50 1h5m n ALA 112 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1h5m n ALA 112 Cb 0.10 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1h5m n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h5m n GLY 113 N 0.79 0.73 0.17 0.00 0.00 -0.09 -0.31 105.19 106.47 1h5m n GLY 113 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1h5m n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5m n GLY 114 N -2.00 -0.69 3.74 -0.02 0.00 0.57 -4.79 105.19 102.00 1h5m n GLY 114 Ca 0.00 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 1h5m n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h5m s PRO 115 N -2.98 1.95 -0.10 1.61 0.04 -1.26 -4.47 135.00 129.78 1h5m s PRO 115 Ca 0.03 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1h5m s PRO 115 Cb -0.00 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1h5m s PRO 115 CO 0.02 -1.89 -0.22 0.45 0.04 0.00 0.00 177.00 175.39 1h5m s SER 116 N -3.19 3.22 0.21 6.66 0.15 -1.26 -3.91 113.70 115.59 1h5m s SER 116 Ca 0.63 -0.52 -0.21 0.00 0.70 0.00 0.00 55.95 56.54 1h5m s SER 116 Cb -0.19 -1.42 0.04 0.00 -1.71 0.00 0.00 66.02 62.74 1h5m s SER 116 CO 0.56 0.16 0.63 -1.66 1.20 0.00 0.00 173.24 174.13 1h5m s TRP 117 N 0.33 -0.33 -0.32 3.44 -2.14 -1.26 -5.13 118.94 113.53 1h5m s TRP 117 Ca -0.17 -0.00 -0.13 0.00 2.66 0.00 0.00 56.10 58.46 1h5m s TRP 117 Cb -0.18 0.58 -0.03 0.00 -3.10 0.00 0.00 33.47 30.75 1h5m s TRP 117 CO 0.08 -1.01 0.26 1.03 -2.66 0.00 0.00 176.95 174.66 1h5m s ARG 118 N -3.84 3.69 0.46 3.25 0.52 -1.26 -4.98 118.95 116.79 1h5m s ARG 118 Ca 0.06 -0.44 -0.21 0.00 -0.52 0.00 0.00 55.73 54.62 1h5m s ARG 118 Cb -0.03 -3.75 -0.09 0.00 0.52 0.00 0.00 34.95 31.60 1h5m s ARG 118 CO -0.04 -0.37 1.02 0.14 0.02 0.00 0.00 175.30 176.07 1h5m s VAL 119 N 1.83 3.93 0.47 3.52 -7.23 -1.26 -4.83 120.40 116.83 1h5m s VAL 119 Ca 0.08 1.25 -0.24 0.00 -1.81 0.00 0.00 61.98 61.27 1h5m s VAL 119 Cb -0.17 -3.53 -0.07 0.00 0.56 0.00 0.00 36.38 33.17 1h5m s VAL 119 CO 0.11 -0.21 1.30 -2.84 -0.31 0.00 0.00 175.10 173.14 1h5m s PRO 120 N -3.08 3.62 0.28 4.82 0.02 -1.26 -4.14 135.00 135.26 1h5m s PRO 120 Ca 0.64 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.79 1h5m s PRO 120 Cb -0.15 -2.49 -0.06 0.00 0.02 0.00 0.00 34.50 31.82 1h5m s PRO 120 CO 0.19 -0.77 0.08 -0.51 -0.33 0.00 0.00 177.00 175.67 1h5m s LEU 121 N -2.97 1.81 0.00 -5.54 1.43 0.44 -4.78 118.68 109.07 1h5m s LEU 121 Ca 0.64 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1h5m s LEU 121 Cb -0.37 -0.10 0.00 0.00 0.03 0.00 0.00 46.19 45.75 1h5m s LEU 121 CO 0.46 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1h5m n GLY 122 N -0.53 1.00 3.79 -3.19 0.00 -1.26 -0.89 105.19 104.11 1h5m n GLY 122 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1h5m n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h5m s ARG 123 N 0.00 3.33 0.33 1.61 0.52 -1.26 -4.47 118.95 119.00 1h5m s ARG 123 Ca 0.00 1.36 0.08 0.00 -0.52 0.00 0.00 55.73 56.65 1h5m s ARG 123 Cb 0.00 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.38 1h5m s ARG 123 CO 0.00 -0.82 -0.07 1.03 0.02 0.00 0.00 175.30 175.46 1h5m s ARG 124 N -3.73 1.74 0.09 3.54 0.52 0.40 -4.49 118.95 117.01 1h5m s ARG 124 Ca 0.67 -1.90 -0.21 0.00 -0.52 0.00 0.00 55.73 53.77 1h5m s ARG 124 Cb -0.19 -1.48 -0.07 0.00 0.52 0.00 0.00 34.95 33.74 1h5m s ARG 124 CO 0.32 0.07 0.61 -0.51 0.02 0.00 0.00 175.30 175.82 1h5m s ASP 125 N -3.56 7.13 0.83 0.23 1.01 0.68 -4.44 116.67 118.55 1h5m s ASP 125 Ca 0.32 1.34 -0.12 0.00 0.71 0.00 0.00 52.55 54.81 1h5m s ASP 125 Cb 0.04 -2.39 0.09 0.00 1.01 0.00 0.00 42.92 41.67 1h5m s ASP 125 CO 0.15 0.26 1.15 -0.94 0.21 0.00 0.00 175.17 176.00 1h5m s SER 126 N -1.10 3.69 0.00 0.27 1.04 -0.09 -1.73 113.70 115.79 1h5m s SER 126 Ca 0.30 2.14 0.21 0.00 0.48 0.00 0.00 55.95 59.08 1h5m s SER 126 Cb -0.20 -2.56 0.39 0.00 0.10 0.00 0.00 66.02 63.75 1h5m s SER 126 CO 0.20 -2.59 1.35 0.18 0.98 0.00 0.00 173.24 173.36 1h5m n LEU 127 N -3.63 3.32 -3.75 2.42 4.77 -1.26 -4.80 117.00 114.08 1h5m n LEU 127 Ca 0.12 -1.51 -0.05 0.00 -0.03 0.00 0.00 56.01 54.54 1h5m n LEU 127 Cb 0.52 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1h5m n LEU 127 CO 0.50 0.72 0.65 0.00 -1.33 0.00 0.00 177.39 177.93 1h5m s GLN 128 N -1.40 1.30 0.23 3.23 -2.07 -1.26 -4.98 119.66 114.72 1h5m s GLN 128 Ca 0.36 -0.70 0.09 0.00 -1.82 0.00 0.00 55.36 53.28 1h5m s GLN 128 Cb 0.21 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.54 1h5m s GLN 128 CO 0.29 -0.59 0.01 0.00 -1.32 0.00 0.00 175.29 173.67 1h5m s ALA 129 N -3.42 3.19 -0.59 2.60 0.00 -1.26 -4.75 121.76 117.52 1h5m s ALA 129 Ca 0.11 -1.53 0.05 0.00 0.00 0.00 0.00 51.96 50.59 1h5m s ALA 129 Cb -0.02 -0.89 0.17 0.00 0.00 0.00 0.00 23.12 22.38 1h5m s ALA 129 CO 0.02 0.35 0.44 -0.06 0.00 0.00 0.00 175.76 176.51 1h5m s PHE 130 N -2.07 2.64 0.08 0.00 0.40 -1.26 -4.80 117.98 112.97 1h5m s PHE 130 Ca 0.30 -2.96 -0.23 0.00 -0.60 0.00 0.00 56.93 53.44 1h5m s PHE 130 Cb -0.08 -2.03 -0.15 0.00 0.51 0.00 0.00 43.02 41.27 1h5m s PHE 130 CO 0.20 -0.65 1.67 1.25 0.70 0.00 0.00 175.22 178.38 1h5m h LEU 131 N 5.49 0.03 -0.77 -0.37 5.85 -1.83 -0.81 115.31 122.91 1h5m h LEU 131 Ca 0.19 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1h5m h LEU 131 Cb 0.81 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1h5m h LEU 131 CO 0.59 0.10 0.47 0.44 -0.34 0.00 0.00 178.44 179.70 1h5m h ASP 132 N -0.04 0.92 -0.34 1.25 3.32 -1.93 -1.00 116.42 118.61 1h5m h ASP 132 Ca 0.01 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1h5m h ASP 132 Cb 0.08 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1h5m h ASP 132 CO -0.00 0.71 0.03 0.25 -1.72 0.00 0.00 179.24 178.51 1h5m h LEU 133 N 1.05 0.64 -0.55 1.55 5.85 -1.94 -1.64 115.31 120.27 1h5m h LEU 133 Ca 0.28 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1h5m h LEU 133 Cb -0.04 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1h5m h LEU 133 CO -0.05 0.69 -0.04 0.00 -0.34 0.00 0.00 178.44 178.70 1h5m h ALA 134 N 1.39 0.74 -0.02 1.25 0.00 -0.35 0.26 119.26 122.53 1h5m h ALA 134 Ca 0.13 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1h5m h ALA 134 Cb 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1h5m h ALA 134 CO 0.01 0.60 -0.28 -0.91 0.00 0.00 0.00 179.25 178.67 1h5m h ASN 135 N 0.87 0.04 0.34 0.00 2.35 -0.75 -1.93 115.58 116.50 1h5m h ASN 135 Ca 0.15 -0.01 -0.33 0.00 -0.55 0.00 0.00 56.30 55.56 1h5m h ASN 135 Cb 0.59 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1h5m h ASN 135 CO 0.04 0.32 -1.63 0.00 -1.65 0.00 0.00 177.43 174.51 1h5m h ALA 136 N 1.69 0.21 0.00 -0.83 0.00 -0.96 -3.40 119.26 115.96 1h5m h ALA 136 Ca 0.00 -1.12 -0.20 0.00 0.00 0.00 0.00 54.91 53.60 1h5m h ALA 136 Cb 0.51 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1h5m h ALA 136 CO 0.04 1.08 -1.44 -0.91 0.00 0.00 0.00 179.25 178.02 1h5m h ASN 137 N 0.09 0.00 -3.18 0.00 4.21 -0.42 -3.46 115.58 112.82 1h5m h ASN 137 Ca -0.29 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.68 1h5m h ASN 137 Cb 2.06 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.25 1h5m h ASN 137 CO 0.17 0.69 0.58 -0.76 -1.29 0.00 0.00 177.43 176.83 1h5m s LEU 138 N -5.91 4.34 0.76 1.61 1.43 -0.73 -4.94 118.68 115.23 1h5m s LEU 138 Ca -0.03 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 54.89 1h5m s LEU 138 Cb 0.08 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.78 1h5m s LEU 138 CO 0.81 -0.49 1.08 -2.16 0.23 0.00 0.00 176.35 175.83 1h5m s PRO 139 N 1.41 2.38 0.17 1.29 0.04 -1.26 -4.97 135.00 134.06 1h5m s PRO 139 Ca 0.57 1.00 0.11 0.00 0.04 0.00 0.00 61.00 62.73 1h5m s PRO 139 Cb -0.27 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1h5m s PRO 139 CO 0.27 -1.51 -0.25 0.00 0.04 0.00 0.00 177.00 175.55 1h5m s ALA 140 N -2.98 2.47 0.61 8.56 0.00 -1.26 -4.98 121.76 124.18 1h5m s ALA 140 Ca 0.60 -1.57 0.32 0.00 0.00 0.00 0.00 51.96 51.31 1h5m s ALA 140 Cb -0.16 -0.35 1.89 0.00 0.00 0.00 0.00 23.12 24.50 1h5m s ALA 140 CO 0.56 0.47 2.22 -1.00 0.00 0.00 0.00 175.76 178.01 1h5m h PRO 141 N 3.47 0.00 -0.20 0.00 0.13 -1.97 -1.70 132.00 131.73 1h5m h PRO 141 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1h5m h PRO 141 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1h5m h PRO 141 CO 0.44 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.18 1h5m n PHE 142 N -3.64 0.26 -2.14 1.56 1.16 -1.26 -1.83 117.46 111.57 1h5m n PHE 142 Ca -0.02 -0.13 -0.38 0.00 -1.87 0.00 0.00 57.45 55.06 1h5m n PHE 142 Cb 0.16 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.03 1h5m n PHE 142 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1h5m s PHE 143 N -1.74 2.77 0.77 2.97 0.40 -0.64 -4.97 117.98 117.54 1h5m s PHE 143 Ca 0.30 1.49 -0.10 0.00 -0.60 0.00 0.00 56.93 58.02 1h5m s PHE 143 Cb 0.16 -3.50 0.07 0.00 0.51 0.00 0.00 43.02 40.26 1h5m s PHE 143 CO 0.23 -1.84 1.12 0.95 0.70 0.00 0.00 175.22 176.39 1h5m s THR 144 N -1.45 2.11 0.20 0.64 -4.23 -1.26 -4.42 115.64 107.23 1h5m s THR 144 Ca 0.64 -0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.96 1h5m s THR 144 Cb -0.32 -3.00 0.15 0.00 1.34 0.00 0.00 72.50 70.66 1h5m s THR 144 CO 0.39 -0.00 1.84 0.25 -0.54 0.00 0.00 174.62 176.56 1h5m h LEU 145 N -0.90 0.90 -1.31 4.79 5.85 -1.95 0.07 115.31 122.75 1h5m h LEU 145 Ca -0.45 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.21 1h5m h LEU 145 Cb 1.32 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1h5m h LEU 145 CO 0.64 0.71 0.47 -0.65 -0.34 0.00 0.00 178.44 179.27 1h5m h PRO 146 N 1.02 0.90 -0.29 5.25 0.11 -1.94 -0.35 132.00 136.70 1h5m h PRO 146 Ca 0.27 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.18 1h5m h PRO 146 Cb -0.02 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 1h5m h PRO 146 CO -0.05 0.60 -0.39 1.96 -0.21 0.00 0.00 178.00 179.91 1h5m h GLN 147 N 0.93 0.68 -0.35 1.05 4.20 -1.68 -0.68 115.11 119.26 1h5m h GLN 147 Ca 0.27 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1h5m h GLN 147 Cb -0.06 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1h5m h GLN 147 CO -0.06 0.96 0.11 -0.07 -0.67 0.00 0.00 178.83 179.09 1h5m h LEU 148 N 0.56 0.51 -0.64 1.46 3.38 -0.32 -0.54 115.31 119.73 1h5m h LEU 148 Ca 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1h5m h LEU 148 Cb 0.92 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1h5m h LEU 148 CO 0.08 0.58 0.37 0.11 0.09 0.00 0.00 178.44 179.68 1h5m h LYS 149 N 0.42 0.88 -0.64 1.13 1.57 -0.95 -2.05 116.57 116.93 1h5m h LYS 149 Ca 0.11 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1h5m h LYS 149 Cb 0.25 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1h5m h LYS 149 CO -0.00 0.64 0.41 -0.44 -0.57 0.00 0.00 179.45 179.49 1h5m h ASP 150 N 0.87 0.70 -0.79 0.86 3.32 -0.83 -0.56 116.42 119.98 1h5m h ASP 150 Ca 0.23 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1h5m h ASP 150 Cb 0.00 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1h5m h ASP 150 CO -0.04 0.50 0.38 0.77 -1.72 0.00 0.00 179.24 179.13 1h5m h SER 151 N 0.83 1.04 -0.20 6.45 4.64 -0.63 0.53 113.55 126.20 1h5m h SER 151 Ca 0.24 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.31 1h5m h SER 151 Cb -0.05 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.77 1h5m h SER 151 CO -0.07 0.88 -0.33 -0.26 -0.87 0.00 0.00 176.83 176.17 1h5m h PHE 152 N 1.12 0.72 -0.56 4.77 -1.00 -1.10 -3.10 116.94 117.80 1h5m h PHE 152 Ca 0.27 -0.25 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 1h5m h PHE 152 Cb 0.12 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.51 1h5m h PHE 152 CO 0.01 0.98 0.24 0.00 -1.61 0.00 0.00 178.31 177.93 1h5m h ARG 153 N 0.26 0.81 -0.47 1.51 3.08 -0.91 -0.32 114.38 118.33 1h5m h ARG 153 Ca 0.02 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 60.02 1h5m h ARG 153 Cb 0.92 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1h5m h ARG 153 CO 0.08 0.65 0.32 -0.97 -1.07 0.00 0.00 179.97 178.98 1h5m h ASN 154 N 0.80 0.29 -0.01 7.04 -1.24 -0.81 -1.34 115.58 120.32 1h5m h ASN 154 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1h5m h ASN 154 Cb 0.14 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1h5m h ASN 154 CO -0.02 0.19 -0.09 1.33 -1.29 0.00 0.00 177.43 177.55 1h5m n VAL 155 N -4.47 0.00 0.00 2.57 0.24 -0.95 -4.95 118.33 110.76 1h5m n VAL 155 Ca 0.07 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1h5m n VAL 155 Cb 0.30 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 1h5m n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h5m n GLY 156 N 1.32 0.93 3.27 7.63 0.00 -0.50 -4.86 105.19 112.98 1h5m n GLY 156 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1h5m n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h5m s LEU 157 N 0.00 6.24 0.30 0.99 1.43 -0.17 -4.92 118.68 122.55 1h5m s LEU 157 Ca 0.00 -2.41 0.16 0.00 -1.03 0.00 0.00 54.13 50.85 1h5m s LEU 157 Cb 0.00 -2.12 0.22 0.00 0.03 0.00 0.00 46.19 44.31 1h5m s LEU 157 CO 0.00 -0.62 1.51 0.78 0.23 0.00 0.00 176.35 178.25 1h5m h ASN 158 N 7.99 0.00 -3.60 2.29 2.35 -1.87 -2.93 115.58 119.82 1h5m h ASN 158 Ca -0.05 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.19 1h5m h ASN 158 Cb 1.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 1h5m h ASN 158 CO 0.82 0.50 0.37 -0.13 -1.65 0.00 0.00 177.43 177.35 1h5m s ARG 159 N -3.11 4.72 0.52 0.81 0.52 -1.26 -4.93 118.95 116.21 1h5m s ARG 159 Ca 0.03 1.49 0.24 0.00 -0.52 0.00 0.00 55.73 56.97 1h5m s ARG 159 Cb 0.09 -3.34 1.41 0.00 0.52 0.00 0.00 34.95 33.62 1h5m s ARG 159 CO 0.73 0.26 2.09 0.77 0.02 0.00 0.00 175.30 179.18 1h5m h SER 160 N 5.23 0.00 0.03 0.23 0.02 -1.96 0.28 113.55 117.38 1h5m h SER 160 Ca -0.43 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.44 1h5m h SER 160 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1h5m h SER 160 CO 0.71 0.11 -0.21 -1.28 -1.14 0.00 0.00 176.83 175.01 1h5m h SER 161 N 0.00 0.32 0.11 3.07 0.87 -1.93 0.44 113.55 116.43 1h5m h SER 161 Ca -0.00 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1h5m h SER 161 Cb 0.24 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1h5m h SER 161 CO 0.01 0.55 -0.05 0.44 -0.53 0.00 0.00 176.83 177.25 1h5m h ASP 162 N 0.30 -0.12 -0.05 6.23 3.32 -1.32 0.40 116.42 125.17 1h5m h ASP 162 Ca 0.05 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1h5m h ASP 162 Cb 0.55 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1h5m h ASP 162 CO 0.04 -0.03 0.02 0.25 -1.72 0.00 0.00 179.24 177.80 1h5m h LEU 163 N -0.21 0.06 -0.40 1.55 5.85 -1.28 -1.02 115.31 119.88 1h5m h LEU 163 Ca -0.01 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1h5m h LEU 163 Cb 0.17 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1h5m h LEU 163 CO 0.02 0.19 -0.04 0.58 -0.34 0.00 0.00 178.44 178.86 1h5m h VAL 164 N -0.07 1.27 -0.15 1.05 2.07 -0.89 -1.97 116.25 117.56 1h5m h VAL 164 Ca 0.02 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1h5m h VAL 164 Cb 0.15 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1h5m h VAL 164 CO -0.00 0.36 -0.07 0.00 0.02 0.00 0.00 177.57 177.88 1h5m h ALA 165 N 0.87 0.21 0.00 1.67 0.00 -0.93 -3.14 119.26 117.94 1h5m h ALA 165 Ca 0.11 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1h5m h ALA 165 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1h5m h ALA 165 CO 0.03 0.00 -0.31 -0.07 0.00 0.00 0.00 179.25 178.90 1h5m h LEU 166 N -0.02 0.00 -1.71 0.00 3.38 -1.23 -0.94 115.31 114.79 1h5m h LEU 166 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1h5m h LEU 166 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1h5m h LEU 166 CO 0.02 0.31 0.00 0.28 0.09 0.00 0.00 178.44 179.14 1h5m h SER 167 N 0.00 0.00 0.17 -0.43 0.02 -1.30 -0.57 113.55 111.44 1h5m h SER 167 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1h5m h SER 167 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1h5m h SER 167 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 1h5m n GLY 168 N -0.73 -0.61 0.17 -3.77 0.00 -0.36 -1.53 105.19 98.38 1h5m n GLY 168 Ca -0.01 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1h5m n GLY 168 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1h5m h GLY 169 N 1.05 0.00 -2.04 -0.02 0.00 -1.28 -1.38 103.07 99.40 1h5m h GLY 169 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1h5m h GLY 169 CO 0.00 0.00 0.04 1.42 0.00 0.00 0.00 176.54 178.00 1h5m n HIS 170 N -2.37 0.80 1.34 5.60 8.25 -0.58 -3.63 115.22 124.63 1h5m n HIS 170 Ca -0.00 -0.37 0.14 0.00 -0.26 0.00 0.00 57.72 57.23 1h5m n HIS 170 Cb 0.12 -0.29 0.69 0.00 1.12 0.00 0.00 29.99 31.63 1h5m n HIS 170 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1h5m n THR 171 N 0.17 0.00 -3.98 1.59 5.66 -0.52 -3.88 114.28 113.32 1h5m n THR 171 Ca 0.12 -0.01 -0.12 0.00 -3.05 0.00 0.00 64.05 60.99 1h5m n THR 171 Cb 0.64 -0.38 -0.02 0.00 -1.55 0.00 0.00 70.33 69.02 1h5m n THR 171 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1h5m s PHE 172 N -2.64 0.63 0.00 1.09 -0.71 -1.24 -4.45 117.98 110.67 1h5m s PHE 172 Ca 0.26 -1.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 1h5m s PHE 172 Cb 0.20 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 1h5m s PHE 172 CO 0.48 -1.27 0.00 0.41 -1.34 0.00 0.00 175.22 173.50 1h5m n GLY 173 N -0.53 0.11 3.54 1.99 0.00 -1.11 -4.68 105.19 104.53 1h5m n GLY 173 Ca -0.03 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.84 1h5m n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h5m s LYS 174 N -1.44 1.95 -0.02 1.61 -0.14 -1.26 -2.28 119.74 118.16 1h5m s LYS 174 Ca 0.00 -1.52 -0.01 0.00 -1.36 0.00 0.00 55.97 53.08 1h5m s LYS 174 Cb 0.00 -1.99 0.01 0.00 -1.68 0.00 0.00 37.83 34.17 1h5m s LYS 174 CO 0.00 0.37 0.03 1.21 -0.76 0.00 0.00 175.35 176.20 1h5m s ASN 175 N -3.34 0.00 0.36 2.83 2.47 0.20 -4.88 114.94 112.59 1h5m s ASN 175 Ca 0.28 0.06 -0.25 0.00 0.42 0.00 0.00 52.86 53.37 1h5m s ASN 175 Cb -0.07 0.01 -0.09 0.00 -1.45 0.00 0.00 41.25 39.66 1h5m s ASN 175 CO 0.16 -0.06 1.04 -1.10 -3.72 0.00 0.00 177.10 173.42 1h5m s GLN 176 N 0.45 4.32 0.37 0.43 -0.21 -1.26 -0.44 119.66 123.32 1h5m s GLN 176 Ca -0.04 1.52 0.12 0.00 0.02 0.00 0.00 55.36 56.99 1h5m s GLN 176 Cb -0.05 -2.69 0.92 0.00 1.00 0.00 0.00 33.01 32.19 1h5m s GLN 176 CO -0.01 0.00 1.83 0.00 -2.12 0.00 0.00 175.29 174.99 1h5m h ARG 178 N 0.58 0.38 0.00 0.00 0.11 -1.32 -0.85 114.38 113.28 1h5m h ARG 178 Ca 0.50 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.56 1h5m h ARG 178 Cb 1.00 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.00 1h5m h ARG 178 CO -0.24 0.25 0.00 1.19 0.10 0.00 0.00 179.97 181.27 1h5m n PHE 179 N -4.74 0.00 -0.31 4.08 3.72 -0.68 -3.57 117.46 115.97 1h5m n PHE 179 Ca 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.68 1h5m n PHE 179 Cb 0.93 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 1h5m n PHE 179 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1h5m n ILE 180 N -1.26 0.11 -0.31 4.37 -5.35 -0.35 -4.80 119.36 111.77 1h5m n ILE 180 Ca 0.13 -0.40 0.11 0.00 -0.27 0.00 0.00 62.75 62.33 1h5m n ILE 180 Cb 0.20 1.20 0.33 0.00 -1.74 0.00 0.00 39.64 39.64 1h5m n ILE 180 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 1h5m h MET 181 N 0.00 0.76 -0.34 6.28 2.86 -1.53 -1.05 114.93 121.91 1h5m h MET 181 Ca 0.00 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1h5m h MET 181 Cb 0.24 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1h5m h MET 181 CO 0.00 0.50 0.02 0.38 1.06 0.00 0.00 176.91 178.87 1h5m h ASP 182 N 0.78 0.57 -0.19 1.22 2.03 -1.84 -1.63 116.42 117.36 1h5m h ASP 182 Ca 0.50 -0.29 -0.01 0.00 -0.73 0.00 0.00 57.03 56.49 1h5m h ASP 182 Cb 0.73 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.06 1h5m h ASP 182 CO -0.26 0.72 0.09 0.03 -1.03 0.00 0.00 179.24 178.79 1h5m h ARG 183 N 0.40 0.33 0.09 4.15 3.08 -1.49 -0.97 114.38 119.97 1h5m h ARG 183 Ca 0.10 -0.04 -0.27 0.00 0.07 0.00 0.00 59.98 59.85 1h5m h ARG 183 Cb 0.42 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1h5m h ARG 183 CO 0.01 0.29 -1.28 -0.07 -1.07 0.00 0.00 179.97 177.85 1h5m h LEU 184 N 0.33 0.30 0.00 3.04 3.38 -1.01 0.11 115.31 121.46 1h5m h LEU 184 Ca 0.08 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1h5m h LEU 184 Cb 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1h5m h LEU 184 CO -0.01 1.28 -0.66 -1.22 0.09 0.00 0.00 178.44 177.91 1h5m n TYR 185 N -3.45 0.00 -3.15 1.13 4.01 -0.64 -4.42 117.16 110.64 1h5m n TYR 185 Ca -0.09 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.60 1h5m n TYR 185 Cb 1.01 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.02 1h5m n TYR 185 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1h5m s ASN 186 N -2.29 -0.80 -0.14 7.72 2.47 -0.48 -3.64 114.94 117.78 1h5m s ASN 186 Ca 0.00 -1.28 -0.20 0.00 0.42 0.00 0.00 52.86 51.81 1h5m s ASN 186 Cb 0.00 1.54 -0.04 0.00 -1.45 0.00 0.00 41.25 41.30 1h5m s ASN 186 CO 0.00 -0.16 0.55 0.12 -3.72 0.00 0.00 177.10 173.89 1h5m s PHE 187 N 1.45 3.47 -1.55 0.43 5.36 0.30 -4.22 117.98 123.22 1h5m s PHE 187 Ca 0.20 0.93 -0.11 0.00 -0.96 0.00 0.00 56.93 56.99 1h5m s PHE 187 Cb -0.05 -2.66 0.09 0.00 -0.34 0.00 0.00 43.02 40.05 1h5m s PHE 187 CO -0.06 0.04 0.77 0.45 -1.46 0.00 0.00 175.22 174.96 1h5m n SER 188 N 4.15 -3.00 -2.84 6.13 2.88 -1.26 -1.53 113.62 118.15 1h5m n SER 188 Ca -0.05 -0.91 -0.20 0.00 -1.33 0.00 0.00 58.87 56.38 1h5m n SER 188 Cb 0.51 -3.33 0.01 0.00 -0.75 0.00 0.00 64.21 60.65 1h5m n SER 188 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1h5m n ASN 189 N -2.82 -5.05 0.01 -3.46 3.02 -1.26 -4.86 115.26 100.84 1h5m n ASN 189 Ca -0.05 -0.15 0.11 0.00 -0.03 0.00 0.00 54.58 54.46 1h5m n ASN 189 Cb 0.56 -4.16 -0.07 0.00 -0.61 0.00 0.00 39.78 35.50 1h5m n ASN 189 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1h5m n THR 190 N -4.03 0.08 -0.96 3.41 -2.24 -0.58 -4.95 114.28 105.01 1h5m n THR 190 Ca -0.13 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1h5m n THR 190 Cb 0.61 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1h5m n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h5m n GLY 191 N 1.37 0.55 3.36 3.38 0.00 -1.26 -4.95 105.19 107.64 1h5m n GLY 191 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1h5m n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h5m s LEU 192 N 0.00 2.54 0.84 0.99 1.43 -1.24 -4.66 118.68 118.58 1h5m s LEU 192 Ca 0.00 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.00 1h5m s LEU 192 Cb 0.00 -0.78 0.10 0.00 0.03 0.00 0.00 46.19 45.54 1h5m s LEU 192 CO 0.00 -0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.41 1h5m s PRO 193 N -3.43 1.69 -0.02 1.29 0.04 -1.26 -0.54 135.00 132.77 1h5m s PRO 193 Ca 0.22 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 1h5m s PRO 193 Cb -0.03 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1h5m s PRO 193 CO 0.08 -1.96 1.87 0.34 0.04 0.00 0.00 177.00 177.37 1h5m s ASP 194 N -3.50 6.46 0.37 6.66 -1.08 0.39 -4.76 116.67 121.21 1h5m s ASP 194 Ca 0.62 2.44 0.26 0.00 -0.52 0.00 0.00 52.55 55.35 1h5m s ASP 194 Cb -0.17 -2.53 1.32 0.00 -1.46 0.00 0.00 42.92 40.08 1h5m s ASP 194 CO 0.56 -1.08 1.79 1.55 0.52 0.00 0.00 175.17 178.52 1h5m h PRO 195 N 10.53 0.00 -0.20 4.34 0.13 -1.91 -1.94 132.00 142.96 1h5m h PRO 195 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1h5m h PRO 195 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1h5m h PRO 195 CO 0.95 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.97 1h5m n THR 196 N -2.42 0.25 -3.64 1.56 -2.24 -1.26 -4.77 114.28 101.77 1h5m n THR 196 Ca -0.01 -0.34 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 1h5m n THR 196 Cb 0.10 0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.49 1h5m n THR 196 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1h5m s LEU 197 N -1.40 3.95 0.02 3.22 2.96 -0.73 -4.71 118.68 121.99 1h5m s LEU 197 Ca 0.29 -0.01 -0.37 0.00 -0.22 0.00 0.00 54.13 53.81 1h5m s LEU 197 Cb 0.15 -2.09 -0.17 0.00 0.50 0.00 0.00 46.19 44.59 1h5m s LEU 197 CO 0.22 -0.02 1.40 -3.20 -1.32 0.00 0.00 176.35 173.43 1h5m n ASN 198 N 4.83 1.70 0.25 3.68 2.85 0.20 -4.77 115.26 123.99 1h5m n ASN 198 Ca -0.15 1.11 0.08 0.00 -0.11 0.00 0.00 54.58 55.52 1h5m n ASN 198 Cb 0.52 -1.17 0.62 0.00 1.24 0.00 0.00 39.78 40.99 1h5m n ASN 198 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1h5m h THR 199 N 3.63 0.93 -0.08 -0.44 1.35 -1.93 0.15 112.91 116.52 1h5m h THR 199 Ca -0.48 -0.43 -0.16 0.00 -0.55 0.00 0.00 66.41 64.80 1h5m h THR 199 Cb 1.34 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 69.01 1h5m h THR 199 CO 0.80 0.12 -0.58 0.74 -0.25 0.00 0.00 175.52 176.35 1h5m h THR 200 N 0.00 1.37 -0.13 6.82 2.02 -1.99 -2.94 112.91 118.06 1h5m h THR 200 Ca -0.00 -1.92 -0.08 0.00 0.77 0.00 0.00 66.41 65.18 1h5m h THR 200 Cb 0.23 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1h5m h THR 200 CO 0.02 0.58 -0.29 0.22 0.37 0.00 0.00 175.52 176.41 1h5m h TYR 201 N 0.11 0.27 -0.59 3.16 3.20 -1.83 -2.59 116.97 118.70 1h5m h TYR 201 Ca -0.05 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.82 1h5m h TYR 201 Cb 1.24 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.39 1h5m h TYR 201 CO 0.12 0.51 0.30 1.25 -1.64 0.00 0.00 178.16 178.70 1h5m h LEU 202 N 0.22 0.42 -0.46 2.82 5.85 -0.64 0.27 115.31 123.78 1h5m h LEU 202 Ca 0.03 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1h5m h LEU 202 Cb 0.62 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1h5m h LEU 202 CO 0.05 0.28 0.27 1.56 -0.34 0.00 0.00 178.44 180.25 1h5m h GLN 203 N 0.56 0.64 -0.23 1.25 7.50 -1.29 -0.16 115.11 123.38 1h5m h GLN 203 Ca 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.35 1h5m h GLN 203 Cb 0.19 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.58 1h5m h GLN 203 CO -0.19 0.49 0.14 1.15 -1.50 0.00 0.00 178.83 178.92 1h5m h THR 204 N 0.62 1.07 -0.36 -0.54 2.02 -1.18 -2.06 112.91 112.48 1h5m h THR 204 Ca 0.17 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1h5m h THR 204 Cb 0.02 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1h5m h THR 204 CO -0.03 0.07 -0.07 -0.07 0.37 0.00 0.00 175.52 175.79 1h5m h LEU 205 N 0.30 0.58 -1.31 2.58 3.38 -0.74 -2.13 115.31 117.97 1h5m h LEU 205 Ca 0.08 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1h5m h LEU 205 Cb -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1h5m h LEU 205 CO -0.02 0.70 -0.28 0.03 0.09 0.00 0.00 178.44 178.97 1h5m h ARG 206 N 0.56 0.11 -0.02 1.13 3.08 -0.76 0.22 114.38 118.70 1h5m h ARG 206 Ca 0.11 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.98 1h5m h ARG 206 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1h5m h ARG 206 CO 0.02 0.38 -0.63 0.78 -1.07 0.00 0.00 179.97 179.46 1h5m h GLY 207 N 0.93 0.10 1.62 0.04 0.00 -0.74 -2.25 103.07 102.77 1h5m h GLY 207 Ca 0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 47.33 46.99 1h5m h GLY 207 CO 0.04 0.12 -1.19 1.41 0.00 0.00 0.00 176.54 176.91 1h5m h LEU 208 N 0.07 0.00 -6.10 3.11 3.38 -0.93 -3.39 115.31 111.44 1h5m h LEU 208 Ca -0.01 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 1h5m h LEU 208 Cb 1.13 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.47 1h5m h LEU 208 CO 0.09 0.91 -0.83 0.00 0.09 0.00 0.00 178.44 178.70 1h5m s PRO 210 N -1.89 2.49 0.35 0.00 0.04 -0.85 -4.64 135.00 130.49 1h5m s PRO 210 Ca 0.38 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.85 1h5m s PRO 210 Cb 0.16 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.71 1h5m s PRO 210 CO -0.06 -1.56 1.48 -1.17 0.04 0.00 0.00 177.00 175.74 1h5m s LEU 211 N -4.80 4.34 -0.77 -3.56 0.20 -1.26 -1.36 118.68 111.47 1h5m s LEU 211 Ca 0.74 2.99 0.00 0.00 0.69 0.00 0.00 54.13 58.55 1h5m s LEU 211 Cb -0.28 -3.66 0.00 0.00 -0.43 0.00 0.00 46.19 41.82 1h5m s LEU 211 CO 0.41 -0.84 0.00 0.59 -0.29 0.00 0.00 176.35 176.22 1h5m n ASN 212 N 0.82 -4.74 -1.68 3.68 5.03 -1.26 -4.99 115.26 112.13 1h5m n ASN 212 Ca 0.02 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.65 1h5m n ASN 212 Cb 0.39 -2.88 0.00 0.00 -1.02 0.00 0.00 39.78 36.27 1h5m n ASN 212 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1h5m n GLY 213 N -0.94 0.57 3.58 7.41 0.00 -0.46 -4.98 105.19 110.37 1h5m n GLY 213 Ca -0.07 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1h5m n GLY 213 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h5m s ASN 214 N -1.00 5.91 0.44 1.61 3.04 -1.26 -4.85 114.94 118.83 1h5m s ASN 214 Ca 0.00 0.79 0.30 0.00 0.04 0.00 0.00 52.86 53.98 1h5m s ASN 214 Cb 0.00 -2.53 1.20 0.00 -1.54 0.00 0.00 41.25 38.37 1h5m s ASN 214 CO 0.00 -1.78 1.88 -0.07 -3.04 0.00 0.00 177.10 174.08 1h5m h LEU 215 N 13.78 0.00 -0.66 3.21 3.38 -1.94 -2.67 115.31 130.41 1h5m h LEU 215 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1h5m h LEU 215 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1h5m h LEU 215 CO 1.11 0.00 -0.12 -1.20 0.09 0.00 0.00 178.44 178.32 1h5m n SER 216 N -2.77 1.16 -4.76 -0.43 7.64 -1.26 -0.93 113.62 112.27 1h5m n SER 216 Ca 0.01 -1.13 -0.40 0.00 1.01 0.00 0.00 58.87 58.36 1h5m n SER 216 Cb 0.29 0.05 0.02 0.00 -1.01 0.00 0.00 64.21 63.56 1h5m n SER 216 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h5m n ALA 217 N -0.32 1.96 -2.81 -0.43 0.00 -1.01 -4.71 120.51 113.19 1h5m n ALA 217 Ca 0.16 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.47 1h5m n ALA 217 Cb 0.34 -2.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.33 1h5m n ALA 217 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h5m s LEU 218 N -2.75 4.11 0.09 0.00 1.43 -1.26 -0.80 118.68 119.50 1h5m s LEU 218 Ca 0.63 0.35 0.07 0.00 -1.03 0.00 0.00 54.13 54.15 1h5m s LEU 218 Cb -0.45 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 1h5m s LEU 218 CO 0.56 0.39 -0.19 0.54 0.23 0.00 0.00 176.35 177.89 1h5m s VAL 219 N -0.93 1.51 0.18 -1.59 0.11 0.42 -4.92 120.40 115.18 1h5m s VAL 219 Ca 0.14 -1.46 -0.30 0.00 -2.93 0.00 0.00 61.98 57.43 1h5m s VAL 219 Cb -0.12 -1.39 -0.08 0.00 -1.53 0.00 0.00 36.38 33.26 1h5m s VAL 219 CO 0.03 -0.12 1.10 -1.81 -3.33 0.00 0.00 175.10 170.98 1h5m s ASP 220 N -1.85 7.26 0.27 3.54 1.01 -1.26 -0.63 116.67 125.00 1h5m s ASP 220 Ca 0.04 2.10 -0.00 0.00 0.71 0.00 0.00 52.55 55.40 1h5m s ASP 220 Cb -0.10 -2.60 0.37 0.00 1.01 0.00 0.00 42.92 41.59 1h5m s ASP 220 CO 0.04 -0.22 1.74 -0.26 0.21 0.00 0.00 175.17 176.67 1h5m h PHE 221 N 5.06 0.70 -3.74 4.23 0.04 -1.73 -3.40 116.94 118.10 1h5m h PHE 221 Ca -0.44 -0.12 -0.68 0.00 2.80 0.00 0.00 57.97 59.53 1h5m h PHE 221 Cb 1.21 -0.18 -0.35 0.00 2.20 0.00 0.00 35.95 38.83 1h5m h PHE 221 CO 0.62 0.74 -0.71 0.34 -0.60 0.00 0.00 178.31 178.71 1h5m s ASP 222 N -6.74 4.81 0.38 2.17 -1.08 -1.25 -4.36 116.67 110.60 1h5m s ASP 222 Ca -0.08 -1.56 0.28 0.00 -0.52 0.00 0.00 52.55 50.67 1h5m s ASP 222 Cb 0.14 -1.67 1.15 0.00 -1.46 0.00 0.00 42.92 41.08 1h5m s ASP 222 CO 0.80 -0.30 1.83 0.17 0.52 0.00 0.00 175.17 178.19 1h5m h LEU 223 N 7.88 0.00 0.00 -1.34 -0.00 -1.90 -2.62 115.31 117.33 1h5m h LEU 223 Ca -0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1h5m h LEU 223 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1h5m h LEU 223 CO 0.54 0.00 -0.07 0.03 -0.00 0.00 0.00 178.44 178.94 1h5m h ARG 224 N 0.00 0.00 -2.69 0.17 3.08 -1.93 -3.43 114.38 109.58 1h5m h ARG 224 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1h5m h ARG 224 Cb 0.41 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.07 1h5m h ARG 224 CO 0.00 0.10 -0.82 0.95 -1.07 0.00 0.00 179.97 179.14 1h5m s THR 225 N -1.69 1.14 0.44 2.04 -4.23 -1.24 -5.02 115.64 107.08 1h5m s THR 225 Ca -0.04 -2.90 0.26 0.00 -1.18 0.00 0.00 61.69 57.83 1h5m s THR 225 Cb 0.00 -1.78 0.45 0.00 1.34 0.00 0.00 72.50 72.51 1h5m s THR 225 CO 0.09 -1.08 1.73 -0.65 -0.54 0.00 0.00 174.62 174.17 1h5m h PRO 226 N 5.97 0.22 0.00 3.99 0.11 -1.71 -2.96 132.00 137.63 1h5m h PRO 226 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1h5m h PRO 226 Cb 0.88 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1h5m h PRO 226 CO 0.46 0.15 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 1h5m n THR 227 N -4.55 0.29 -3.78 -1.15 -2.24 -1.26 -2.73 114.28 98.86 1h5m n THR 227 Ca 0.29 -0.64 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 1h5m n THR 227 Cb 1.12 0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 70.14 1h5m n THR 227 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1h5m s ILE 228 N -0.29 5.34 -0.61 2.28 1.01 -1.12 -4.87 121.20 122.95 1h5m s ILE 228 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.55 1h5m s ILE 228 Cb 0.00 -3.42 0.04 0.00 0.01 0.00 0.00 42.46 39.09 1h5m s ILE 228 CO 0.00 0.47 1.12 0.12 0.00 0.00 0.00 174.94 176.64 1h5m s PHE 229 N 0.18 2.61 0.25 3.97 2.19 0.58 -4.54 117.98 123.22 1h5m s PHE 229 Ca 0.08 0.12 -0.03 0.00 0.33 0.00 0.00 56.93 57.44 1h5m s PHE 229 Cb -0.11 -4.39 0.01 0.00 -1.31 0.00 0.00 43.02 37.22 1h5m s PHE 229 CO -0.01 -1.61 0.38 -0.40 1.83 0.00 0.00 175.22 175.40 1h5m n ASP 230 N 8.26 -1.06 -0.45 6.13 5.68 -1.26 -3.61 116.55 130.24 1h5m n ASP 230 Ca 0.04 -2.25 0.05 0.00 -0.50 0.00 0.00 54.79 52.14 1h5m n ASP 230 Cb 0.48 1.91 0.17 0.00 -1.14 0.00 0.00 41.12 42.55 1h5m n ASP 230 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1h5m n ASN 231 N -1.70 1.31 0.28 -1.12 6.94 -1.26 -4.21 115.26 115.51 1h5m n ASN 231 Ca -0.01 -1.93 0.13 0.00 -0.02 0.00 0.00 54.58 52.75 1h5m n ASN 231 Cb 0.40 -0.15 0.82 0.00 -2.36 0.00 0.00 39.78 38.49 1h5m n ASN 231 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1h5m h LYS 232 N 1.48 0.00 -1.00 -3.83 1.79 -1.94 -2.01 116.57 111.06 1h5m h LYS 232 Ca 0.00 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 1h5m h LYS 232 Cb 0.34 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.89 1h5m h LYS 232 CO 0.00 0.00 0.61 -0.92 -1.08 0.00 0.00 179.45 178.06 1h5m h TYR 233 N 0.00 1.08 0.00 -1.35 3.20 -1.90 -1.37 116.97 116.63 1h5m h TYR 233 Ca 0.00 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.72 1h5m h TYR 233 Cb 0.01 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 1h5m h TYR 233 CO 0.00 0.29 -0.86 1.88 -1.64 0.00 0.00 178.16 177.83 1h5m h TYR 234 N 0.82 0.20 -0.59 -3.82 0.05 -1.70 -2.81 116.97 109.12 1h5m h TYR 234 Ca 0.55 -0.11 -0.06 0.00 0.05 0.00 0.00 58.73 59.17 1h5m h TYR 234 Cb 0.78 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 1h5m h TYR 234 CO -0.01 0.92 0.13 0.28 -1.05 0.00 0.00 178.16 178.44 1h5m h VAL 235 N 0.07 1.24 -0.28 -2.88 2.07 -1.33 -2.37 116.25 112.77 1h5m h VAL 235 Ca -0.03 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1h5m h VAL 235 Cb 1.49 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1h5m h VAL 235 CO 0.12 0.33 0.17 0.78 0.02 0.00 0.00 177.57 179.00 1h5m h ASN 236 N 0.88 0.33 -0.91 0.57 2.35 -1.16 -2.74 115.58 114.90 1h5m h ASN 236 Ca 0.19 -0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.96 1h5m h ASN 236 Cb 0.33 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 1h5m h ASN 236 CO 0.00 0.28 0.57 -0.07 -1.65 0.00 0.00 177.43 176.56 1h5m h LEU 237 N 0.36 0.91 -2.39 1.61 3.38 -1.21 0.22 115.31 118.19 1h5m h LEU 237 Ca 0.10 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1h5m h LEU 237 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1h5m h LEU 237 CO -0.02 0.57 -0.03 -0.33 0.09 0.00 0.00 178.44 178.72 1h5m h GLU 238 N 1.04 0.00 -0.58 1.13 5.08 -1.14 -0.66 114.58 119.45 1h5m h GLU 238 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1h5m h GLU 238 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1h5m h GLU 238 CO -0.18 0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.26 1h5m n GLU 239 N -3.55 3.33 -2.80 2.33 1.02 -0.24 -4.94 120.64 115.79 1h5m n GLU 239 Ca -0.02 -2.70 -0.17 0.00 -0.02 0.00 0.00 57.16 54.24 1h5m n GLU 239 Cb 0.13 -1.72 0.03 0.00 -0.02 0.00 0.00 31.44 29.86 1h5m n GLU 239 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1h5m n GLN 240 N 0.97 -3.61 -0.47 3.49 1.13 -0.25 -4.58 117.38 114.05 1h5m n GLN 240 Ca 0.23 0.71 0.05 0.00 -1.94 0.00 0.00 57.00 56.05 1h5m n GLN 240 Cb 0.76 -5.15 0.22 0.00 0.11 0.00 0.00 30.24 26.18 1h5m n GLN 240 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1h5m n LYS 241 N -3.23 2.22 -2.17 -1.09 5.02 0.62 -0.62 118.16 118.91 1h5m n LYS 241 Ca -0.10 -2.91 -0.40 0.00 -2.02 0.00 0.00 58.31 52.88 1h5m n LYS 241 Cb 0.60 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 1h5m n LYS 241 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h5m s GLY 242 N -2.36 3.00 -0.04 0.72 0.00 -1.25 -4.70 107.32 102.69 1h5m s GLY 242 Ca 0.41 1.20 -0.23 0.00 0.00 0.00 0.00 44.72 46.10 1h5m s GLY 242 CO 0.04 1.83 0.98 -2.00 0.00 0.00 0.00 173.10 173.96 1h5m h LEU 243 N 3.39 -0.18-10.18 0.66 5.85 -1.93 -3.43 115.31 109.49 1h5m h LEU 243 Ca -0.49 -0.36 -0.46 0.00 0.84 0.00 0.00 57.88 57.41 1h5m h LEU 243 Cb 1.23 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1h5m h LEU 243 CO 0.65 0.35 -0.42 0.27 -0.34 0.00 0.00 178.44 178.95 1h5m s ILE 244 N -3.69 4.73 0.20 4.05 -4.36 -1.26 -4.94 121.20 115.92 1h5m s ILE 244 Ca -0.13 -1.07 -0.12 0.00 -0.26 0.00 0.00 60.65 59.06 1h5m s ILE 244 Cb 0.01 -3.64 0.14 0.00 1.25 0.00 0.00 42.46 40.23 1h5m s ILE 244 CO 0.52 -0.28 1.69 -0.61 0.24 0.00 0.00 174.94 176.50 1h5m h GLN 245 N 1.14 0.15 0.00 0.37 4.15 -1.87 -0.91 115.11 118.15 1h5m h GLN 245 Ca -0.49 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 1h5m h GLN 245 Cb 1.24 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 1h5m h GLN 245 CO 0.59 0.10 -0.03 0.66 -1.93 0.00 0.00 178.83 178.22 1h5m h SER 246 N 0.16 0.00 0.20 -0.69 4.64 -1.57 -0.94 113.55 115.34 1h5m h SER 246 Ca 0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1h5m h SER 246 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1h5m h SER 246 CO -0.42 0.03 -0.09 0.44 -0.87 0.00 0.00 176.83 175.91 1h5m h ASP 247 N 0.00 -0.22 0.12 4.97 3.32 -1.50 -3.34 116.42 119.77 1h5m h ASP 247 Ca -0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1h5m h ASP 247 Cb 0.07 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1h5m h ASP 247 CO 0.00 0.31 -0.09 -0.61 -1.72 0.00 0.00 179.24 177.13 1h5m h GLN 248 N -0.99 0.00 -0.10 3.56 5.75 -1.21 -2.45 115.11 119.67 1h5m h GLN 248 Ca -0.03 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 1h5m h GLN 248 Cb 0.42 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.96 1h5m h GLN 248 CO 0.04 0.09 0.08 0.93 -2.65 0.00 0.00 178.83 177.32 1h5m h GLU 249 N 0.00 0.00 0.00 1.69 4.39 -1.29 0.28 114.58 119.65 1h5m h GLU 249 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1h5m h GLU 249 Cb 0.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1h5m h GLU 249 CO 0.01 0.00 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.65 1h5m h LEU 250 N 0.00 0.00 0.00 1.33 3.38 -1.57 -1.87 115.31 116.58 1h5m h LEU 250 Ca 0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 1h5m h LEU 250 Cb 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1h5m h LEU 250 CO -0.00 0.15 -1.74 0.33 0.09 0.00 0.00 178.44 177.26 1h5m n PHE 251 N -3.87 0.00 0.62 1.13 7.35 -0.53 -3.55 117.46 118.61 1h5m n PHE 251 Ca -0.02 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.73 1h5m n PHE 251 Cb 0.24 -0.53 -0.06 0.00 0.35 0.00 0.00 39.48 39.48 1h5m n PHE 251 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1h5m n SER 252 N -2.39 0.79 -4.76 -2.13 7.64 -0.02 -4.86 113.62 107.89 1h5m n SER 252 Ca -0.17 -0.90 -0.37 0.00 1.01 0.00 0.00 58.87 58.44 1h5m n SER 252 Cb 0.84 0.90 0.02 0.00 -1.01 0.00 0.00 64.21 64.96 1h5m n SER 252 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1h5m s SER 253 N -2.14 5.63 0.52 6.43 0.15 -0.70 -4.87 113.70 118.71 1h5m s SER 253 Ca 0.06 2.48 0.35 0.00 0.70 0.00 0.00 55.95 59.54 1h5m s SER 253 Cb 0.10 -2.61 1.76 0.00 -1.71 0.00 0.00 66.02 63.56 1h5m s SER 253 CO 0.51 -1.30 2.05 -0.65 1.20 0.00 0.00 173.24 175.05 1h5m h PRO 254 N 1.57 0.00 -0.68 5.44 0.11 -1.96 -0.66 132.00 135.82 1h5m h PRO 254 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h5m h PRO 254 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1h5m h PRO 254 CO 0.58 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.66 1h5m n ASN 255 N -2.80 4.43 -1.21 -2.05 4.05 -1.26 -4.54 115.26 111.88 1h5m n ASN 255 Ca -0.01 -2.31 0.03 0.00 0.45 0.00 0.00 54.58 52.73 1h5m n ASN 255 Cb 0.13 -0.55 0.19 0.00 1.23 0.00 0.00 39.78 40.79 1h5m n ASN 255 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1h5m n ALA 256 N 1.25 3.24 -0.24 5.20 0.00 -0.26 -4.40 120.51 125.30 1h5m n ALA 256 Ca 0.25 -0.97 0.07 0.00 0.00 0.00 0.00 53.44 52.79 1h5m n ALA 256 Cb 0.80 -1.07 0.33 0.00 0.00 0.00 0.00 19.45 19.50 1h5m n ALA 256 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1h5m h THR 257 N 1.88 0.98 0.00 0.00 2.02 -1.82 -0.53 112.91 115.44 1h5m h THR 257 Ca 0.02 -0.28 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 1h5m h THR 257 Cb 1.27 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1h5m h THR 257 CO 0.26 0.15 -1.12 -2.24 0.37 0.00 0.00 175.52 172.94 1h5m h ASP 258 N 0.81 0.00 0.71 4.18 2.03 -1.97 -3.38 116.42 118.81 1h5m h ASP 258 Ca 0.37 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.45 1h5m h ASP 258 Cb 0.37 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.83 1h5m h ASP 258 CO -0.14 0.55 -1.41 0.71 -1.03 0.00 0.00 179.24 177.92 1h5m h THR 259 N 0.00 0.80 -0.33 1.15 1.35 -1.69 -3.38 112.91 110.80 1h5m h THR 259 Ca -0.11 -2.45 0.05 0.00 -0.55 0.00 0.00 66.41 63.35 1h5m h THR 259 Cb 1.52 2.31 -0.04 0.00 -1.73 0.00 0.00 68.15 70.20 1h5m h THR 259 CO 0.05 0.45 0.07 0.40 -0.25 0.00 0.00 175.52 176.25 1h5m h ILE 260 N 0.00 0.84 0.00 6.82 2.04 -1.16 -0.16 117.51 125.89 1h5m h ILE 260 Ca -0.18 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1h5m h ILE 260 Cb 1.76 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1h5m h ILE 260 CO 0.07 0.03 -0.14 1.55 0.00 0.00 0.00 178.15 179.67 1h5m h PRO 261 N 0.19 0.00 -0.17 2.37 0.13 -1.78 -0.91 132.00 131.84 1h5m h PRO 261 Ca 0.16 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.16 1h5m h PRO 261 Cb 0.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1h5m h PRO 261 CO -0.20 0.14 -0.39 -0.07 -0.23 0.00 0.00 178.00 177.25 1h5m h LEU 262 N 0.00 0.63 -0.44 1.56 3.38 -1.52 -0.87 115.31 118.04 1h5m h LEU 262 Ca -0.00 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.43 1h5m h LEU 262 Cb 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1h5m h LEU 262 CO 0.02 1.08 0.25 0.58 0.09 0.00 0.00 178.44 180.46 1h5m h VAL 263 N 0.20 1.02 -0.51 1.22 2.07 -0.51 -1.09 116.25 118.66 1h5m h VAL 263 Ca -0.00 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1h5m h VAL 263 Cb 0.99 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1h5m h VAL 263 CO 0.08 0.09 0.21 0.03 0.02 0.00 0.00 177.57 178.01 1h5m h ARG 264 N 0.50 0.75 -0.80 1.57 3.08 -1.14 -1.01 114.38 117.33 1h5m h ARG 264 Ca 0.18 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1h5m h ARG 264 Cb 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1h5m h ARG 264 CO -0.10 0.66 0.43 0.66 -1.07 0.00 0.00 179.97 180.55 1h5m h SER 265 N 0.68 1.00 0.98 7.04 4.64 -0.76 -0.30 113.55 126.82 1h5m h SER 265 Ca 0.17 -0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.26 1h5m h SER 265 Cb 0.18 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 1h5m h SER 265 CO -0.02 0.80 -0.70 -0.26 -0.87 0.00 0.00 176.83 175.78 1h5m h PHE 266 N 1.12 0.00 0.00 4.77 0.04 -1.00 -2.63 116.94 119.24 1h5m h PHE 266 Ca 0.28 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.87 1h5m h PHE 266 Cb 0.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 1h5m h PHE 266 CO 0.01 0.70 -0.84 0.00 -0.60 0.00 0.00 178.31 177.58 1h5m h ALA 267 N 1.30 0.61 0.00 2.45 0.00 -0.78 -3.28 119.26 119.56 1h5m h ALA 267 Ca -0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 54.91 54.03 1h5m h ALA 267 Cb 1.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1h5m h ALA 267 CO 0.09 0.98 -0.65 -0.91 0.00 0.00 0.00 179.25 178.77 1h5m h ASN 268 N 0.04 0.00 -3.19 0.00 -0.26 -1.00 -3.46 115.58 107.71 1h5m h ASN 268 Ca -0.02 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.43 1h5m h ASN 268 Cb 1.47 0.00 -0.35 0.00 -1.06 0.00 0.00 38.32 38.37 1h5m h ASN 268 CO 0.12 0.65 -0.64 -0.55 -1.06 0.00 0.00 177.43 175.94 1h5m s SER 269 N -6.54 0.58 0.19 5.81 0.15 -1.00 -5.01 113.70 107.88 1h5m s SER 269 Ca 0.03 0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.87 1h5m s SER 269 Cb 0.09 0.22 0.12 0.00 -1.71 0.00 0.00 66.02 64.73 1h5m s SER 269 CO 0.76 -0.22 1.80 0.74 1.20 0.00 0.00 173.24 177.52 1h5m h THR 270 N 6.31 1.22 -0.49 6.45 2.02 -1.88 -1.76 112.91 124.78 1h5m h THR 270 Ca -0.20 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.42 1h5m h THR 270 Cb 1.12 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1h5m h THR 270 CO 0.21 0.25 0.29 -0.61 0.37 0.00 0.00 175.52 176.03 1h5m h GLN 271 N 0.96 0.56 -0.56 6.66 4.15 -1.95 0.20 115.11 125.13 1h5m h GLN 271 Ca 0.24 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 1h5m h GLN 271 Cb 0.07 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1h5m h GLN 271 CO -0.04 0.37 0.25 1.15 -1.93 0.00 0.00 178.83 178.63 1h5m h THR 272 N 0.57 1.21 0.22 2.39 2.02 -1.81 -0.83 112.91 116.68 1h5m h THR 272 Ca 0.20 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1h5m h THR 272 Cb 0.03 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1h5m h THR 272 CO -0.09 0.24 -0.11 0.15 0.37 0.00 0.00 175.52 176.08 1h5m h PHE 273 N 0.75 -0.27 -0.79 3.16 3.57 -0.81 -2.10 116.94 120.46 1h5m h PHE 273 Ca 0.19 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.77 1h5m h PHE 273 Cb 0.15 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 1h5m h PHE 273 CO 0.00 0.01 0.45 0.74 -2.23 0.00 0.00 178.31 177.28 1h5m h PHE 274 N -0.55 0.81 -0.54 0.41 -1.00 -0.55 0.28 116.94 115.80 1h5m h PHE 274 Ca -0.03 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1h5m h PHE 274 Cb 0.41 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 1h5m h PHE 274 CO 0.01 0.35 0.27 -0.91 -1.61 0.00 0.00 178.31 176.42 1h5m h ASN 275 N 0.77 0.69 -0.24 2.17 2.35 -1.11 -1.58 115.58 118.63 1h5m h ASN 275 Ca 0.37 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.91 1h5m h ASN 275 Cb 0.31 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1h5m h ASN 275 CO -0.23 0.61 -0.19 0.00 -1.65 0.00 0.00 177.43 175.97 1h5m h ALA 276 N 1.11 0.99 -0.38 -0.83 0.00 -0.59 -1.77 119.26 117.78 1h5m h ALA 276 Ca 0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1h5m h ALA 276 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1h5m h ALA 276 CO -0.03 0.60 0.02 0.35 0.00 0.00 0.00 179.25 180.19 1h5m h PHE 277 N 0.61 0.71 -0.43 0.00 3.57 -0.17 0.33 116.94 121.56 1h5m h PHE 277 Ca 0.09 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1h5m h PHE 277 Cb 0.66 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1h5m h PHE 277 CO 0.03 0.73 0.12 0.28 -2.23 0.00 0.00 178.31 177.24 1h5m h VAL 278 N 0.48 1.22 -0.24 1.41 2.07 -1.20 0.26 116.25 120.25 1h5m h VAL 278 Ca 0.11 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1h5m h VAL 278 Cb 0.43 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1h5m h VAL 278 CO 0.02 0.27 0.14 -0.08 0.02 0.00 0.00 177.57 177.93 1h5m h GLU 279 N 0.55 0.28 -0.32 1.57 4.81 -1.16 -1.01 114.58 119.30 1h5m h GLU 279 Ca 0.14 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 1h5m h GLU 279 Cb 0.28 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1h5m h GLU 279 CO -0.00 0.19 -0.35 0.00 -0.73 0.00 0.00 179.01 178.11 1h5m h ALA 280 N 1.10 0.79 -0.62 2.92 0.00 -0.77 -2.25 119.26 120.43 1h5m h ALA 280 Ca 0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1h5m h ALA 280 Cb -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1h5m h ALA 280 CO -0.04 0.65 0.30 0.52 0.00 0.00 0.00 179.25 180.68 1h5m h MET 281 N 0.60 0.89 -0.05 0.00 2.86 -0.20 0.24 114.93 119.26 1h5m h MET 281 Ca 0.06 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1h5m h MET 281 Cb 0.88 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1h5m h MET 281 CO 0.08 0.72 -0.45 -0.44 1.06 0.00 0.00 176.91 177.87 1h5m h ASP 282 N 0.85 0.13 -0.28 1.22 3.32 -1.10 0.47 116.42 121.04 1h5m h ASP 282 Ca 0.21 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1h5m h ASP 282 Cb 0.12 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1h5m h ASP 282 CO -0.03 0.57 -0.18 0.03 -1.72 0.00 0.00 179.24 177.91 1h5m h ARG 283 N 0.11 0.61 -0.60 3.56 3.08 -0.89 -2.35 114.38 117.89 1h5m h ARG 283 Ca 0.01 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 1h5m h ARG 283 Cb 0.84 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 1h5m h ARG 283 CO 0.06 0.87 0.15 1.98 -1.07 0.00 0.00 179.97 181.97 1h5m h MET 284 N 0.34 0.94 0.00 0.04 4.05 -0.71 -1.62 114.93 117.97 1h5m h MET 284 Ca 0.06 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1h5m h MET 284 Cb 0.71 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1h5m h MET 284 CO 0.05 0.83 0.00 0.41 0.23 0.00 0.00 176.91 178.43 1h5m n GLY 285 N -0.80 -0.92 1.21 1.39 0.00 0.13 -2.25 105.19 103.95 1h5m n GLY 285 Ca 0.04 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1h5m n GLY 285 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1h5m n ASN 286 N -1.40 3.71 -4.65 1.61 4.05 -0.61 -4.82 115.26 113.15 1h5m n ASN 286 Ca 0.05 -1.99 -0.43 0.00 0.45 0.00 0.00 54.58 52.67 1h5m n ASN 286 Cb 0.15 -0.41 -0.02 0.00 1.23 0.00 0.00 39.78 40.73 1h5m n ASN 286 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1h5m s ILE 287 N -1.07 4.05 -0.39 -1.44 1.01 -0.95 -4.34 121.20 118.06 1h5m s ILE 287 Ca 0.43 1.24 -0.11 0.00 0.00 0.00 0.00 60.65 62.22 1h5m s ILE 287 Cb 0.23 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1h5m s ILE 287 CO 0.30 -0.21 0.22 0.35 0.00 0.00 0.00 174.94 175.61 1h5m n THR 288 N 5.69 -0.88 -2.33 2.92 -2.24 -1.26 -3.02 114.28 113.16 1h5m n THR 288 Ca 0.15 -0.18 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 1h5m n THR 288 Cb 0.45 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 1h5m n THR 288 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1h5m s PRO 289 N -5.58 3.80 -0.08 -0.78 0.04 -1.26 -4.50 135.00 126.64 1h5m s PRO 289 Ca 0.15 1.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.06 1h5m s PRO 289 Cb -0.08 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1h5m s PRO 289 CO 0.32 -0.40 0.44 -0.51 0.04 0.00 0.00 177.00 176.89 1h5m s LEU 290 N -4.12 4.34 0.32 -3.56 1.43 -1.26 -4.98 118.68 110.85 1h5m s LEU 290 Ca 0.60 0.84 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 1h5m s LEU 290 Cb -0.12 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1h5m s LEU 290 CO 0.31 0.12 0.21 0.42 0.23 0.00 0.00 176.35 177.65 1h5m s THR 291 N 0.01 0.15 0.00 5.49 -4.23 -1.26 -0.46 115.64 115.34 1h5m s THR 291 Ca 0.24 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1h5m s THR 291 Cb -0.16 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1h5m s THR 291 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1h5m n GLY 292 N -0.60 1.32 0.52 3.99 0.00 -1.26 -1.26 105.19 107.91 1h5m n GLY 292 Ca 0.03 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.43 1h5m n GLY 292 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h5m n THR 293 N 0.00 0.21 -2.39 2.61 -2.24 -1.26 -5.00 114.28 106.21 1h5m n THR 293 Ca 0.00 -0.60 -0.40 0.00 -2.27 0.00 0.00 64.05 60.78 1h5m n THR 293 Cb 0.00 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1h5m n THR 293 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1h5m s GLN 294 N -1.00 4.44 2.41 -0.78 -0.21 -0.39 -4.81 119.66 119.33 1h5m s GLN 294 Ca 0.16 1.85 0.00 0.00 0.02 0.00 0.00 55.36 57.40 1h5m s GLN 294 Cb 0.11 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 31.10 1h5m s GLN 294 CO 0.15 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 1h5m n GLY 295 N 0.94 -0.21 3.18 3.09 0.00 -1.26 -4.41 105.19 106.52 1h5m n GLY 295 Ca 0.01 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1h5m n GLY 295 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h5m n GLN 296 N -0.40 0.53 -3.68 1.61 6.02 -0.70 -4.86 117.38 115.90 1h5m n GLN 296 Ca 0.00 -3.28 -0.38 0.00 -0.01 0.00 0.00 57.00 53.33 1h5m n GLN 296 Cb 0.00 2.03 -0.09 0.00 1.02 0.00 0.00 30.24 33.20 1h5m n GLN 296 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1h5m s ILE 297 N -3.10 3.87 0.26 5.09 -1.09 -1.26 -0.23 121.20 124.74 1h5m s ILE 297 Ca 0.25 -2.65 -0.30 0.00 -2.23 0.00 0.00 60.65 55.72 1h5m s ILE 297 Cb 0.01 -3.53 -0.11 0.00 -1.58 0.00 0.00 42.46 37.26 1h5m s ILE 297 CO 0.18 -0.85 1.54 -0.60 -1.23 0.00 0.00 174.94 173.97 1h5m s ARG 298 N 0.29 4.18 -0.04 2.79 3.52 -1.26 -4.93 118.95 123.50 1h5m s ARG 298 Ca 0.14 2.46 -0.07 0.00 -0.13 0.00 0.00 55.73 58.13 1h5m s ARG 298 Cb -0.20 -3.07 -0.29 0.00 -1.56 0.00 0.00 34.95 29.83 1h5m s ARG 298 CO -0.04 -0.55 0.70 -0.07 -0.81 0.00 0.00 175.30 174.53 1h5m h LEU 299 N 5.12 0.52 -7.97 -0.88 3.38 -1.95 -3.42 115.31 110.11 1h5m h LEU 299 Ca -0.46 -0.78 -0.67 0.00 0.09 0.00 0.00 57.88 56.05 1h5m h LEU 299 Cb 1.22 -0.17 -0.35 0.00 0.09 0.00 0.00 40.66 41.45 1h5m h LEU 299 CO 0.80 1.66 -0.79 0.21 0.09 0.00 0.00 178.44 180.41 1h5m s ASN 300 N -7.14 4.22 0.44 -0.43 3.84 -1.26 -4.91 114.94 109.69 1h5m s ASN 300 Ca -0.14 -1.16 0.27 0.00 0.21 0.00 0.00 52.86 52.05 1h5m s ASN 300 Cb 0.06 -1.57 1.49 0.00 -0.55 0.00 0.00 41.25 40.67 1h5m s ASN 300 CO 0.85 -0.15 1.82 0.00 -2.79 0.00 0.00 177.10 176.83 1h5m h ARG 302 N 0.00 0.00 -4.17 0.00 3.08 -1.95 -3.29 114.38 108.04 1h5m h ARG 302 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1h5m h ARG 302 Cb 0.15 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 29.98 1h5m h ARG 302 CO 0.00 0.00 -0.72 0.14 -1.07 0.00 0.00 179.97 178.32 1h5m s VAL 303 N -3.20 0.26 0.35 2.04 -7.23 -0.70 -1.27 120.40 110.64 1h5m s VAL 303 Ca 0.06 -0.85 -0.27 0.00 -1.81 0.00 0.00 61.98 59.11 1h5m s VAL 303 Cb 0.10 -0.36 -0.09 0.00 0.56 0.00 0.00 36.38 36.59 1h5m s VAL 303 CO 0.69 -0.39 1.12 -0.69 -0.31 0.00 0.00 175.10 175.53 1h5m s VAL 304 N -1.24 3.38 0.50 1.32 1.01 -1.26 -4.48 120.40 119.63 1h5m s VAL 304 Ca -0.12 1.23 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 1h5m s VAL 304 Cb -0.09 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1h5m s VAL 304 CO -0.00 0.17 1.35 0.20 0.00 0.00 0.00 175.10 176.82 1h5m s ASN 305 N -1.10 5.61 0.00 3.32 0.01 -1.26 -5.05 114.94 116.47 1h5m s ASN 305 Ca 0.52 2.74 0.00 0.00 -0.71 0.00 0.00 52.86 55.41 1h5m s ASN 305 Cb -0.30 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.73 1h5m s ASN 305 CO 0.38 -1.34 0.37 -1.54 -1.51 0.00 0.00 177.10 173.46