#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfu n GLU 2 N 0.00 1.26 -3.49 3.17 4.07 -1.26 -4.78 120.64 119.61 1rfu n GLU 2 Ca 0.00 -1.42 -0.20 0.00 -0.06 0.00 0.00 57.16 55.49 1rfu n GLU 2 Cb 0.00 -1.22 -0.00 0.00 -0.06 0.00 0.00 31.44 30.16 1rfu n GLU 2 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1rfu s GLU 3 N -0.91 3.16 0.09 5.31 2.02 -1.26 -5.05 118.70 122.05 1rfu s GLU 3 Ca 0.15 -0.93 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 1rfu s GLU 3 Cb 0.10 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 1rfu s GLU 3 CO 0.14 0.08 1.03 -1.21 0.02 0.00 0.00 175.26 175.32 1rfu s GLU 4 N -4.18 4.60 -0.24 1.61 0.41 -1.26 -4.97 118.70 114.67 1rfu s GLU 4 Ca 0.44 1.55 -0.03 0.00 -0.41 0.00 0.00 54.97 56.52 1rfu s GLU 4 Cb -0.09 -3.37 0.13 0.00 -1.78 0.00 0.00 34.13 29.01 1rfu s GLU 4 CO 0.31 0.04 0.38 0.00 -0.49 0.00 0.00 175.26 175.51 1rfu s ARG 6 N 2.55 3.69 -0.10 0.00 3.52 -1.26 -0.08 118.95 127.27 1rfu s ARG 6 Ca 0.11 0.00 0.01 0.00 -0.13 0.00 0.00 55.73 55.72 1rfu s ARG 6 Cb -0.15 -3.24 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 1rfu s ARG 6 CO -0.15 0.67 -0.11 0.08 -0.81 0.00 0.00 175.30 174.98 1rfu s VAL 7 N -0.78 1.19 -0.80 7.11 1.01 0.33 -1.39 120.40 127.07 1rfu s VAL 7 Ca 0.16 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1rfu s VAL 7 Cb -0.13 -1.14 0.16 0.00 0.00 0.00 0.00 36.38 35.27 1rfu s VAL 7 CO 0.06 0.38 0.88 -0.22 0.00 0.00 0.00 175.10 176.20 1rfu s LEU 8 N 1.24 5.78 -0.24 3.92 2.96 -0.98 -0.60 118.68 130.76 1rfu s LEU 8 Ca -0.03 -2.12 -0.20 0.00 -0.22 0.00 0.00 54.13 51.56 1rfu s LEU 8 Cb -0.14 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1rfu s LEU 8 CO -0.04 -0.90 0.62 -0.55 -1.32 0.00 0.00 176.35 174.16 1rfu s SER 9 N 3.09 6.60 -0.40 3.68 0.15 -0.12 -2.05 113.70 124.66 1rfu s SER 9 Ca 0.21 0.73 -0.00 0.00 0.70 0.00 0.00 55.95 57.59 1rfu s SER 9 Cb -0.12 -2.33 0.11 0.00 -1.71 0.00 0.00 66.02 61.96 1rfu s SER 9 CO -0.05 -0.33 0.16 -0.63 1.20 0.00 0.00 173.24 173.59 1rfu s ILE 10 N 2.31 2.94 0.36 6.45 1.01 0.19 -1.28 121.20 133.17 1rfu s ILE 10 Ca 0.26 -2.22 -0.06 0.00 0.00 0.00 0.00 60.65 58.63 1rfu s ILE 10 Cb -0.16 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.28 1rfu s ILE 10 CO 0.09 -0.67 0.56 -1.10 0.00 0.00 0.00 174.94 173.82 1rfu s GLN 11 N 0.98 2.01 0.78 2.79 -0.21 -0.77 -0.93 119.66 124.31 1rfu s GLN 11 Ca 0.10 -1.68 -0.12 0.00 0.02 0.00 0.00 55.36 53.68 1rfu s GLN 11 Cb -0.21 0.50 0.06 0.00 1.00 0.00 0.00 33.01 34.36 1rfu s GLN 11 CO -0.05 -0.87 1.13 -1.54 -2.12 0.00 0.00 175.29 171.84 1rfu s SER 12 N -3.19 4.15 -0.02 5.90 1.04 -1.23 -0.70 113.70 119.66 1rfu s SER 12 Ca 0.26 2.06 0.02 0.00 0.48 0.00 0.00 55.95 58.78 1rfu s SER 12 Cb -0.02 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1rfu s SER 12 CO 0.18 -2.28 -0.07 -2.28 0.98 0.00 0.00 173.24 169.77 1rfu s HIS 13 N -2.54 0.74 -0.03 5.02 2.46 0.54 0.12 115.29 121.61 1rfu s HIS 13 Ca 0.66 -0.16 0.06 0.00 0.47 0.00 0.00 55.06 56.09 1rfu s HIS 13 Cb -0.22 -0.53 -0.01 0.00 -0.13 0.00 0.00 32.58 31.69 1rfu s HIS 13 CO 0.51 -0.07 -0.22 0.14 -2.47 0.00 0.00 174.74 172.64 1rfu s VAL 14 N 0.13 1.73 0.08 0.89 -7.23 -1.26 -0.86 120.40 113.88 1rfu s VAL 14 Ca -0.02 -0.92 -0.32 0.00 -1.81 0.00 0.00 61.98 58.92 1rfu s VAL 14 Cb -0.07 -1.44 -0.17 0.00 0.56 0.00 0.00 36.38 35.26 1rfu s VAL 14 CO -0.00 0.49 1.63 0.58 -0.31 0.00 0.00 175.10 177.49 1rfu h VAL 15 N 4.74 0.38 -3.04 1.32 2.07 0.11 -3.42 116.25 118.41 1rfu h VAL 15 Ca -0.38 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.47 1rfu h VAL 15 Cb 1.14 0.38 -0.11 0.00 -1.52 0.00 0.00 31.29 31.18 1rfu h VAL 15 CO 0.48 0.00 -0.56 -0.60 0.02 0.00 0.00 177.57 176.90 1rfu s ARG 16 N -6.06 3.17 0.00 1.57 3.52 -0.18 -5.04 118.95 115.93 1rfu s ARG 16 Ca -0.17 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1rfu s ARG 16 Cb 0.04 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 1rfu s ARG 16 CO 0.63 0.73 0.00 0.41 -0.81 0.00 0.00 175.30 176.25 1rfu n GLY 17 N 1.97 0.81 3.09 8.12 0.00 -1.26 -4.53 105.19 113.39 1rfu n GLY 17 Ca -0.18 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.51 1rfu n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rfu s TYR 18 N -1.69 3.43 -0.08 1.61 1.51 -1.26 -4.79 117.35 116.07 1rfu s TYR 18 Ca 0.00 -2.40 -0.30 0.00 -1.01 0.00 0.00 57.07 53.36 1rfu s TYR 18 Cb 0.00 -2.36 0.11 0.00 -0.11 0.00 0.00 41.96 39.60 1rfu s TYR 18 CO 0.00 -0.89 0.96 0.54 -1.11 0.00 0.00 175.55 175.05 1rfu s VAL 19 N 1.09 0.00 0.00 0.71 0.11 -1.26 -4.41 120.40 116.64 1rfu s VAL 19 Ca -0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1rfu s VAL 19 Cb -0.20 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 1rfu s VAL 19 CO -0.05 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 1rfu n GLY 20 N 0.17 0.89 0.35 6.54 0.00 -1.26 -2.14 105.19 109.74 1rfu n GLY 20 Ca -0.09 -0.67 0.17 0.00 0.00 0.00 0.00 46.02 45.44 1rfu n GLY 20 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1rfu h ASN 21 N 8.03 0.00 -0.43 1.61 -0.26 0.64 -0.43 115.58 124.74 1rfu h ASN 21 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1rfu h ASN 21 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1rfu h ASN 21 CO 0.00 0.00 0.29 0.03 -1.06 0.00 0.00 177.43 176.69 1rfu h ARG 22 N 0.00 0.56 0.00 0.81 2.47 -1.59 0.24 114.38 116.87 1rfu h ARG 22 Ca 0.14 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.71 1rfu h ARG 22 Cb 0.66 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 1rfu h ARG 22 CO -0.00 0.37 -1.30 0.00 0.56 0.00 0.00 179.97 179.60 1rfu n ALA 23 N -2.47 2.12 -0.02 0.04 0.00 -0.23 -4.40 120.51 115.55 1rfu n ALA 23 Ca 0.04 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 1rfu n ALA 23 Cb 0.06 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 1rfu n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rfu n ALA 24 N -2.33 1.39 -0.08 0.00 0.00 -0.86 -4.37 120.51 114.26 1rfu n ALA 24 Ca -0.07 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.51 1rfu n ALA 24 Cb 0.75 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 1rfu n ALA 24 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1rfu h THR 25 N 0.01 1.31 0.40 0.00 2.02 -0.76 -3.05 112.91 112.85 1rfu h THR 25 Ca -0.31 -1.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1rfu h THR 25 Cb 2.02 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 70.06 1rfu h THR 25 CO 0.08 0.40 -0.32 0.15 0.37 0.00 0.00 175.52 176.20 1rfu h PHE 26 N 0.22 -0.84 0.04 3.16 3.57 -1.79 -0.59 116.94 120.71 1rfu h PHE 26 Ca 0.04 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1rfu h PHE 26 Cb 0.70 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 1rfu h PHE 26 CO 0.07 -0.47 -0.49 -1.35 -2.23 0.00 0.00 178.31 173.85 1rfu h PRO 27 N -0.72 -0.64 -0.96 6.41 0.11 -1.76 0.41 132.00 134.85 1rfu h PRO 27 Ca -0.04 0.04 0.16 0.00 0.11 0.00 0.00 66.00 66.27 1rfu h PRO 27 Cb 0.62 0.15 -0.08 0.00 0.11 0.00 0.00 31.00 31.79 1rfu h PRO 27 CO -0.01 -0.43 0.61 -0.07 -0.21 0.00 0.00 178.00 177.89 1rfu h LEU 28 N -0.67 0.74 0.55 2.35 3.38 -1.47 0.92 115.31 121.12 1rfu h LEU 28 Ca 0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1rfu h LEU 28 Cb 0.71 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.38 1rfu h LEU 28 CO -0.32 0.34 -0.26 1.56 0.09 0.00 0.00 178.44 179.85 1rfu h GLN 29 N 0.77 -0.71 0.00 1.13 4.20 0.45 -0.08 115.11 120.86 1rfu h GLN 29 Ca 0.50 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.26 1rfu h GLN 29 Cb 0.76 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1rfu h GLN 29 CO -0.27 -0.44 0.11 -0.39 -0.67 0.00 0.00 178.83 177.17 1rfu h VAL 30 N -1.14 0.00 0.00 -0.54 -1.51 0.06 0.32 116.25 113.44 1rfu h VAL 30 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1rfu h VAL 30 Cb 0.60 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1rfu h VAL 30 CO 0.12 0.00 -0.50 -0.07 -1.23 0.00 0.00 177.57 175.90 1rfu h LEU 31 N 0.00 0.00 0.00 4.19 3.38 -0.22 -3.47 115.31 119.19 1rfu h LEU 31 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1rfu h LEU 31 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1rfu h LEU 31 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1rfu n GLY 32 N 1.32 1.30 3.80 0.83 0.00 0.11 -1.85 105.19 110.70 1rfu n GLY 32 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1rfu n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rfu s PHE 33 N -2.04 3.18 -0.27 1.61 0.40 -0.17 -4.77 117.98 115.92 1rfu s PHE 33 Ca 0.00 1.61 -0.17 0.00 -0.60 0.00 0.00 56.93 57.76 1rfu s PHE 33 Cb 0.00 -2.99 -0.03 0.00 0.51 0.00 0.00 43.02 40.51 1rfu s PHE 33 CO 0.00 -0.49 0.50 -2.00 0.70 0.00 0.00 175.22 173.92 1rfu s GLU 34 N -3.05 4.03 -0.05 0.44 2.56 0.88 -4.26 118.70 119.25 1rfu s GLU 34 Ca 0.63 0.25 -0.02 0.00 0.00 0.00 0.00 54.97 55.83 1rfu s GLU 34 Cb -0.15 -3.66 -0.04 0.00 2.00 0.00 0.00 34.13 32.28 1rfu s GLU 34 CO 0.19 -0.36 0.06 0.08 -0.56 0.00 0.00 175.26 174.66 1rfu s VAL 35 N 2.29 4.69 -0.25 3.70 1.01 -1.26 -0.51 120.40 130.06 1rfu s VAL 35 Ca 0.20 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1rfu s VAL 35 Cb -0.16 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1rfu s VAL 35 CO 0.10 0.48 -0.10 -1.81 0.00 0.00 0.00 175.10 173.77 1rfu s ASP 36 N -1.32 4.26 -0.22 3.32 1.11 0.24 -4.92 116.67 119.12 1rfu s ASP 36 Ca 0.18 -1.32 -0.08 0.00 0.18 0.00 0.00 52.55 51.50 1rfu s ASP 36 Cb -0.12 -1.44 -0.04 0.00 1.07 0.00 0.00 42.92 42.39 1rfu s ASP 36 CO 0.08 -0.20 0.10 0.00 1.18 0.00 0.00 175.17 176.33 1rfu s ALA 37 N 1.19 3.42 -0.18 5.23 0.00 -1.26 -0.94 121.76 129.21 1rfu s ALA 37 Ca -0.08 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1rfu s ALA 37 Cb -0.20 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.82 1rfu s ALA 37 CO -0.05 -0.12 -0.15 0.08 0.00 0.00 0.00 175.76 175.52 1rfu s VAL 38 N 0.93 2.59 -0.47 0.00 1.01 -0.40 -5.01 120.40 119.05 1rfu s VAL 38 Ca 0.05 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 1rfu s VAL 38 Cb -0.14 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.18 1rfu s VAL 38 CO 0.03 0.50 0.52 0.20 0.00 0.00 0.00 175.10 176.35 1rfu s ASN 39 N 1.17 6.21 0.58 3.32 0.01 -1.25 -1.85 114.94 123.13 1rfu s ASN 39 Ca 0.01 -0.87 0.28 0.00 -0.71 0.00 0.00 52.86 51.57 1rfu s ASN 39 Cb -0.14 -2.25 1.75 0.00 0.41 0.00 0.00 41.25 41.02 1rfu s ASN 39 CO -0.06 -0.74 2.24 0.77 -1.51 0.00 0.00 177.10 177.81 1rfu h SER 40 N 8.85 0.00 -5.03 -1.22 4.64 -1.20 -3.44 113.55 116.15 1rfu h SER 40 Ca -0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 1rfu h SER 40 Cb 1.10 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.05 1rfu h SER 40 CO 0.89 0.00 0.02 0.68 -0.87 0.00 0.00 176.83 177.55 1rfu s VAL 41 N -4.69 0.04 -0.26 0.95 -7.23 -1.26 -1.81 120.40 106.14 1rfu s VAL 41 Ca -0.05 -0.32 -0.01 0.00 -1.81 0.00 0.00 61.98 59.78 1rfu s VAL 41 Cb 0.15 -1.03 0.08 0.00 0.56 0.00 0.00 36.38 36.14 1rfu s VAL 41 CO 0.56 -0.18 0.06 -1.58 -0.31 0.00 0.00 175.10 173.66 1rfu s GLN 42 N -3.04 0.77 0.39 4.82 0.74 -0.42 -0.33 119.66 122.58 1rfu s GLN 42 Ca -0.02 -0.81 0.08 0.00 0.05 0.00 0.00 55.36 54.66 1rfu s GLN 42 Cb 0.00 -2.07 -0.04 0.00 1.10 0.00 0.00 33.01 32.00 1rfu s GLN 42 CO -0.06 -0.82 0.19 -0.06 -0.55 0.00 0.00 175.29 173.98 1rfu s PHE 43 N 1.70 2.66 0.04 1.67 0.08 -0.03 -1.01 117.98 123.08 1rfu s PHE 43 Ca 0.04 -0.49 -0.24 0.00 0.12 0.00 0.00 56.93 56.36 1rfu s PHE 43 Cb -0.17 -1.87 -0.17 0.00 -0.57 0.00 0.00 43.02 40.25 1rfu s PHE 43 CO -0.17 0.20 1.53 0.66 -0.10 0.00 0.00 175.22 177.33 1rfu h SER 44 N 1.42 0.04 -0.71 1.36 4.64 -1.00 0.22 113.55 119.52 1rfu h SER 44 Ca -0.43 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1rfu h SER 44 Cb 1.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1rfu h SER 44 CO 0.65 0.25 0.00 -0.46 -0.87 0.00 0.00 176.83 176.41 1rfu n ASN 45 N -4.96 0.00 -4.85 4.97 0.23 -1.26 -1.01 115.26 108.38 1rfu n ASN 45 Ca -0.07 -0.49 -0.35 0.00 -0.53 0.00 0.00 54.58 53.13 1rfu n ASN 45 Cb 0.14 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.78 1rfu n ASN 45 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1rfu s HIS 46 N -3.98 3.59 -0.81 -2.53 -3.43 -1.26 -4.89 115.29 101.98 1rfu s HIS 46 Ca 0.00 1.00 0.00 0.00 -0.80 0.00 0.00 55.06 55.26 1rfu s HIS 46 Cb 0.00 -2.33 0.00 0.00 -1.43 0.00 0.00 32.58 28.82 1rfu s HIS 46 CO 0.00 0.44 0.61 0.25 -2.00 0.00 0.00 174.74 174.04 1rfu n THR 47 N 0.78 0.75 0.28 -5.38 -2.24 -1.26 -0.78 114.28 106.43 1rfu n THR 47 Ca -0.06 0.32 0.17 0.00 -2.27 0.00 0.00 64.05 62.21 1rfu n THR 47 Cb 0.52 -1.32 0.68 0.00 -2.10 0.00 0.00 70.33 68.11 1rfu n THR 47 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rfu h GLY 48 N 0.00 0.00 -1.66 3.38 0.00 -1.94 -3.44 103.07 99.42 1rfu h GLY 48 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1rfu h GLY 48 CO 0.00 0.00 0.38 -0.19 0.00 0.00 0.00 176.54 176.73 1rfu s TYR 49 N -3.66 3.17 0.19 5.60 2.02 0.04 -4.90 117.35 119.80 1rfu s TYR 49 Ca 0.01 1.47 -0.13 0.00 -0.37 0.00 0.00 57.07 58.06 1rfu s TYR 49 Cb 0.09 -2.92 0.20 0.00 -0.40 0.00 0.00 41.96 38.93 1rfu s TYR 49 CO 0.55 -0.91 1.70 0.77 -1.57 0.00 0.00 175.55 176.08 1rfu h SER 50 N 0.36 -0.12 -3.43 2.29 0.02 -1.89 -3.42 113.55 107.36 1rfu h SER 50 Ca -0.46 0.11 -0.58 0.00 -0.84 0.00 0.00 61.79 60.01 1rfu h SER 50 Cb 1.21 0.17 -0.18 0.00 0.14 0.00 0.00 62.40 63.74 1rfu h SER 50 CO 0.59 -0.03 -0.80 -1.00 -1.14 0.00 0.00 176.83 174.44 1rfu s HIS 51 N -6.15 2.03 -0.28 3.45 3.76 -1.26 -5.13 115.29 111.71 1rfu s HIS 51 Ca -0.13 -0.42 -0.16 0.00 -0.15 0.00 0.00 55.06 54.20 1rfu s HIS 51 Cb 0.16 -1.01 0.09 0.00 1.11 0.00 0.00 32.58 32.93 1rfu s HIS 51 CO 0.73 0.40 0.75 1.67 -0.85 0.00 0.00 174.74 177.43 1rfu s TRP 52 N -1.82 -0.96 0.21 1.40 1.48 -1.26 -4.87 118.94 113.12 1rfu s TRP 52 Ca 0.17 1.92 0.06 0.00 -1.06 0.00 0.00 56.10 57.20 1rfu s TRP 52 Cb -0.07 0.57 -0.05 0.00 -1.16 0.00 0.00 33.47 32.76 1rfu s TRP 52 CO 0.08 -0.47 -0.10 0.15 -4.06 0.00 0.00 176.95 172.54 1rfu s LYS 53 N 1.54 1.31 0.00 3.25 1.02 -1.26 -4.97 119.74 120.62 1rfu s LYS 53 Ca -0.09 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.29 1rfu s LYS 53 Cb -0.05 -0.95 0.00 0.00 -0.52 0.00 0.00 37.83 36.31 1rfu s LYS 53 CO -0.18 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1rfu n GLY 54 N -0.38 -2.00 3.57 -3.33 0.00 -1.26 -0.33 105.19 101.45 1rfu n GLY 54 Ca -0.08 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 1rfu n GLY 54 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rfu s GLN 55 N -1.99 1.88 0.16 1.61 0.00 -0.18 -4.95 119.66 116.19 1rfu s GLN 55 Ca 0.00 -1.92 0.05 0.00 -0.00 0.00 0.00 55.36 53.50 1rfu s GLN 55 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 33.01 31.22 1rfu s GLN 55 CO 0.00 0.12 -0.11 0.08 0.00 0.00 0.00 175.29 175.38 1rfu s VAL 56 N -2.60 1.31 0.15 3.63 1.01 -1.26 -1.30 120.40 121.33 1rfu s VAL 56 Ca 0.33 -2.07 0.05 0.00 0.00 0.00 0.00 61.98 60.29 1rfu s VAL 56 Cb 0.03 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1rfu s VAL 56 CO 0.17 -0.69 0.09 -0.76 0.00 0.00 0.00 175.10 173.92 1rfu s LEU 57 N -3.15 3.70 0.38 3.92 1.02 -0.75 -4.99 118.68 118.81 1rfu s LEU 57 Ca 0.17 -0.16 0.07 0.00 0.02 0.00 0.00 54.13 54.24 1rfu s LEU 57 Cb 0.01 -2.33 -0.07 0.00 0.02 0.00 0.00 46.19 43.82 1rfu s LEU 57 CO 0.02 0.10 -0.01 0.54 0.02 0.00 0.00 176.35 177.02 1rfu s ASN 58 N -2.91 3.62 0.34 2.29 2.20 -1.26 -4.80 114.94 114.43 1rfu s ASN 58 Ca 0.30 -1.33 0.16 0.00 -0.94 0.00 0.00 52.86 51.05 1rfu s ASN 58 Cb -0.10 -0.34 1.18 0.00 -2.00 0.00 0.00 41.25 39.98 1rfu s ASN 58 CO 0.22 -0.41 1.52 -1.54 -2.94 0.00 0.00 177.10 173.95 1rfu n SER 59 N -0.88 0.24 -0.14 3.54 3.41 -1.26 0.35 113.62 118.88 1rfu n SER 59 Ca -0.05 1.61 -0.11 0.00 -0.26 0.00 0.00 58.87 60.06 1rfu n SER 59 Cb 0.66 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 1rfu n SER 59 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1rfu h ASP 60 N 0.00 0.81 -0.07 4.04 3.45 -1.96 0.81 116.42 123.50 1rfu h ASP 60 Ca 0.77 -0.37 -0.08 0.00 0.43 0.00 0.00 57.03 57.77 1rfu h ASP 60 Cb 1.96 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 40.49 1rfu h ASP 60 CO -0.78 1.00 -0.19 -0.33 -1.57 0.00 0.00 179.24 177.37 1rfu h GLU 61 N 0.62 0.46 -0.26 3.56 5.08 -0.49 -0.61 114.58 122.95 1rfu h GLU 61 Ca 0.10 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 1rfu h GLU 61 Cb 0.66 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1rfu h GLU 61 CO 0.04 0.63 -0.58 1.25 -1.00 0.00 0.00 179.01 179.36 1rfu h LEU 62 N 0.41 0.94 0.00 1.33 5.85 -0.96 -3.13 115.31 119.75 1rfu h LEU 62 Ca 0.07 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1rfu h LEU 62 Cb 0.57 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1rfu h LEU 62 CO 0.04 1.31 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.73 1rfu h GLN 63 N 0.63 -0.19 -0.75 1.25 5.75 -0.28 -1.09 115.11 120.43 1rfu h GLN 63 Ca 0.00 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.60 1rfu h GLN 63 Cb 1.19 0.04 -0.11 0.00 1.07 0.00 0.00 27.48 29.67 1rfu h GLN 63 CO 0.13 -0.12 -0.55 1.49 -2.65 0.00 0.00 178.83 177.12 1rfu h GLU 64 N -0.19 -0.16 0.05 1.69 4.81 -1.12 0.97 114.58 120.63 1rfu h GLU 64 Ca 0.04 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1rfu h GLU 64 Cb 0.24 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1rfu h GLU 64 CO -0.11 -0.11 -0.17 -0.07 -0.73 0.00 0.00 179.01 177.82 1rfu h LEU 65 N -0.16 -0.49 -0.12 1.64 3.38 -1.45 0.39 115.31 118.50 1rfu h LEU 65 Ca 0.14 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1rfu h LEU 65 Cb 0.50 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1rfu h LEU 65 CO -0.80 -0.24 -0.04 0.22 0.09 0.00 0.00 178.44 177.67 1rfu h TYR 66 N -0.31 -0.09 -0.59 1.13 3.20 0.08 0.38 116.97 120.77 1rfu h TYR 66 Ca 0.04 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.01 1rfu h TYR 66 Cb 0.35 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 1rfu h TYR 66 CO -0.20 -0.07 0.21 -0.44 -1.64 0.00 0.00 178.16 176.02 1rfu h ASP 67 N -0.02 0.19 -0.38 -2.11 5.19 0.12 1.29 116.42 120.71 1rfu h ASP 67 Ca 0.06 0.08 0.08 0.00 -0.62 0.00 0.00 57.03 56.63 1rfu h ASP 67 Cb 0.11 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 39.60 1rfu h ASP 67 CO -0.13 0.12 -0.20 1.23 -3.12 0.00 0.00 179.24 177.13 1rfu h GLY 68 N 0.38 0.06 0.93 2.75 0.00 0.16 1.23 103.07 108.58 1rfu h GLY 68 Ca 0.30 0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.84 1rfu h GLY 68 CO -0.31 -0.20 0.05 1.41 0.00 0.00 0.00 176.54 177.50 1rfu h LEU 69 N -0.14 0.61 0.30 3.11 3.38 0.36 -2.90 115.31 120.04 1rfu h LEU 69 Ca 0.19 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1rfu h LEU 69 Cb 0.43 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1rfu h LEU 69 CO -0.47 0.73 -0.47 0.50 0.09 0.00 0.00 178.44 178.82 1rfu h LYS 70 N 0.48 -0.79 -1.32 1.13 1.63 0.33 -1.12 116.57 116.90 1rfu h LYS 70 Ca 0.11 0.05 0.39 0.00 -0.85 0.00 0.00 60.65 60.35 1rfu h LYS 70 Cb 0.38 0.18 -0.07 0.00 -0.60 0.00 0.00 32.23 32.12 1rfu h LYS 70 CO 0.01 -0.52 0.93 -0.07 -3.45 0.00 0.00 179.45 176.34 1rfu h LEU 71 N -0.82 0.10 -0.63 5.20 3.38 0.15 0.62 115.31 123.31 1rfu h LEU 71 Ca -0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rfu h LEU 71 Cb 0.75 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1rfu h LEU 71 CO -0.15 -0.01 -0.38 0.59 0.09 0.00 0.00 178.44 178.58 1rfu n ASN 72 N -4.27 1.36 -2.07 -0.43 3.02 -0.75 -4.96 115.26 107.16 1rfu n ASN 72 Ca 0.30 -1.09 -0.13 0.00 -0.03 0.00 0.00 54.58 53.64 1rfu n ASN 72 Cb 1.35 0.30 0.04 0.00 -0.61 0.00 0.00 39.78 40.86 1rfu n ASN 72 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1rfu n HIS 73 N -0.50 -1.46 -0.62 3.10 8.25 0.21 -4.92 115.22 119.29 1rfu n HIS 73 Ca 0.10 0.50 0.06 0.00 -0.26 0.00 0.00 57.72 58.12 1rfu n HIS 73 Cb 0.39 -3.10 0.11 0.00 1.12 0.00 0.00 29.99 28.52 1rfu n HIS 73 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1rfu n VAL 74 N -3.85 1.57 -2.09 1.59 0.24 -0.86 -4.79 118.33 110.14 1rfu n VAL 74 Ca -0.01 -1.67 -0.42 0.00 -2.04 0.00 0.00 64.34 60.21 1rfu n VAL 74 Cb 0.54 0.07 -0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1rfu n VAL 74 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1rfu n ASN 75 N -0.80 5.97 -3.73 -1.34 6.94 -1.25 -4.83 115.26 116.22 1rfu n ASN 75 Ca 0.11 -3.04 -0.25 0.00 -0.02 0.00 0.00 54.58 51.38 1rfu n ASN 75 Cb 0.53 -1.48 -0.17 0.00 -2.36 0.00 0.00 39.78 36.30 1rfu n ASN 75 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1rfu s GLN 76 N 0.49 0.50 0.42 -3.83 -0.21 -1.26 -5.00 119.66 110.77 1rfu s GLN 76 Ca 0.47 -0.09 0.03 0.00 0.02 0.00 0.00 55.36 55.79 1rfu s GLN 76 Cb 0.13 -1.48 -0.03 0.00 1.00 0.00 0.00 33.01 32.63 1rfu s GLN 76 CO -0.04 -0.48 0.08 0.71 -2.12 0.00 0.00 175.29 173.44 1rfu s TYR 77 N 1.97 1.88 -0.01 0.91 1.51 -1.26 -4.94 117.35 117.41 1rfu s TYR 77 Ca 0.02 -1.10 0.01 0.00 -1.01 0.00 0.00 57.07 54.99 1rfu s TYR 77 Cb -0.14 -1.33 -0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1rfu s TYR 77 CO -0.07 -0.07 0.02 -0.25 -1.11 0.00 0.00 175.55 174.08 1rfu n ASP 78 N -1.15 4.65 -4.20 2.29 8.00 -0.49 -4.83 116.55 120.82 1rfu n ASP 78 Ca -0.08 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 1rfu n ASP 78 Cb 0.66 0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 42.46 1rfu n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1rfu s TYR 79 N -2.07 1.11 -0.10 1.24 1.51 -0.85 -1.80 117.35 116.38 1rfu s TYR 79 Ca -0.01 -1.31 -0.05 0.00 -1.01 0.00 0.00 57.07 54.69 1rfu s TYR 79 Cb 0.01 -0.57 0.04 0.00 -0.11 0.00 0.00 41.96 41.33 1rfu s TYR 79 CO 0.06 -0.57 0.23 0.08 -1.11 0.00 0.00 175.55 174.24 1rfu s VAL 80 N -4.08 -0.04 -0.10 0.71 1.01 -0.09 -2.32 120.40 115.48 1rfu s VAL 80 Ca 0.34 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1rfu s VAL 80 Cb 0.07 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.11 1rfu s VAL 80 CO 0.09 0.06 -0.12 -0.22 0.00 0.00 0.00 175.10 174.91 1rfu s LEU 81 N 1.25 1.57 0.05 3.92 2.96 -0.87 0.90 118.68 128.46 1rfu s LEU 81 Ca -0.09 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 1rfu s LEU 81 Cb -0.11 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.61 1rfu s LEU 81 CO -0.08 -0.01 -0.16 0.42 -1.32 0.00 0.00 176.35 175.19 1rfu s THR 82 N 1.08 1.28 0.00 3.68 -4.23 -1.07 0.54 115.64 116.92 1rfu s THR 82 Ca -0.06 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1rfu s THR 82 Cb -0.15 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1rfu s THR 82 CO -0.02 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1rfu n GLY 83 N 1.76 4.81 3.66 3.99 0.00 -0.11 -1.92 105.19 117.39 1rfu n GLY 83 Ca -0.18 -0.62 -0.58 0.00 0.00 0.00 0.00 46.02 44.63 1rfu n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rfu n TYR 84 N 0.00 1.71 -3.72 1.61 9.36 -1.26 -4.74 117.16 120.12 1rfu n TYR 84 Ca 0.00 0.72 -0.13 0.00 3.32 0.00 0.00 57.90 61.82 1rfu n TYR 84 Cb 0.00 -2.35 -0.07 0.00 -0.63 0.00 0.00 39.34 36.29 1rfu n TYR 84 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1rfu s THR 85 N 2.26 0.06 0.00 2.97 2.01 -1.26 -3.47 115.64 118.22 1rfu s THR 85 Ca 0.95 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1rfu s THR 85 Cb -1.14 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1rfu s THR 85 CO 0.63 -0.29 0.20 0.54 -0.69 0.00 0.00 174.62 175.00 1rfu n ARG 86 N 0.79 2.57 -3.72 4.92 1.74 -1.26 -4.87 116.66 116.83 1rfu n ARG 86 Ca -0.19 -0.20 -0.38 0.00 -0.77 0.00 0.00 57.85 56.30 1rfu n ARG 86 Cb 0.58 -0.66 -0.12 0.00 -1.02 0.00 0.00 32.46 31.24 1rfu n ARG 86 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rfu s ASP 87 N -0.42 5.32 0.32 0.55 3.68 -1.26 -4.61 116.67 120.24 1rfu s ASP 87 Ca 0.00 -0.79 0.01 0.00 2.13 0.00 0.00 52.55 53.89 1rfu s ASP 87 Cb 0.00 -1.92 0.54 0.00 -1.45 0.00 0.00 42.92 40.09 1rfu s ASP 87 CO 0.00 -0.24 1.95 0.50 0.13 0.00 0.00 175.17 177.51 1rfu h LYS 88 N 8.28 0.97 -0.17 4.34 3.64 -1.93 -0.32 116.57 131.37 1rfu h LYS 88 Ca -0.29 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1rfu h LYS 88 Cb 1.12 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1rfu h LYS 88 CO 0.62 0.64 0.10 0.77 -2.27 0.00 0.00 179.45 179.31 1rfu h SER 89 N 1.00 0.16 0.18 4.20 0.02 -1.96 -0.19 113.55 116.96 1rfu h SER 89 Ca 0.33 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1rfu h SER 89 Cb 0.06 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1rfu h SER 89 CO -0.10 0.12 -0.30 0.15 -1.14 0.00 0.00 176.83 175.56 1rfu h PHE 90 N 0.21 -0.82 -0.16 3.45 3.57 -1.64 -1.75 116.94 119.79 1rfu h PHE 90 Ca 0.07 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1rfu h PHE 90 Cb -0.00 0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 1rfu h PHE 90 CO -0.08 -0.42 -0.18 1.25 -2.23 0.00 0.00 178.31 176.65 1rfu h LEU 91 N -0.56 -0.57 -0.15 0.59 5.85 -0.84 -0.68 115.31 118.94 1rfu h LEU 91 Ca 0.01 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1rfu h LEU 91 Cb 0.56 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1rfu h LEU 91 CO -0.14 -0.23 -0.28 0.00 -0.34 0.00 0.00 178.44 177.45 1rfu h ALA 92 N 0.84 -0.29 -0.69 1.25 0.00 -0.85 -1.20 119.26 118.31 1rfu h ALA 92 Ca 0.11 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1rfu h ALA 92 Cb 0.38 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1rfu h ALA 92 CO -0.29 -0.75 0.31 1.98 0.00 0.00 0.00 179.25 180.51 1rfu h MET 93 N -0.34 0.50 -0.96 0.00 1.85 -1.00 0.10 114.93 115.08 1rfu h MET 93 Ca 0.11 -0.03 0.21 0.00 -0.61 0.00 0.00 59.70 59.37 1rfu h MET 93 Cb 0.51 -0.11 -0.11 0.00 0.43 0.00 0.00 31.60 32.31 1rfu h MET 93 CO -0.35 0.33 0.54 0.28 -0.40 0.00 0.00 176.91 177.31 1rfu h VAL 94 N 0.52 0.61 0.87 -5.77 2.07 0.11 0.65 116.25 115.31 1rfu h VAL 94 Ca 0.35 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 1rfu h VAL 94 Cb 0.43 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1rfu h VAL 94 CO -0.31 0.11 -0.44 0.58 0.02 0.00 0.00 177.57 177.54 1rfu h VAL 95 N 0.62 0.10 -0.79 2.57 2.07 -0.41 0.26 116.25 120.68 1rfu h VAL 95 Ca 0.58 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.29 1rfu h VAL 95 Cb 0.99 0.10 -0.13 0.00 -1.52 0.00 0.00 31.29 30.73 1rfu h VAL 95 CO -0.44 0.00 0.08 0.44 0.02 0.00 0.00 177.57 177.68 1rfu h ASP 96 N -1.20 -0.22 -0.12 0.57 3.45 -0.85 0.41 116.42 118.46 1rfu h ASP 96 Ca -0.12 0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.56 1rfu h ASP 96 Cb 0.93 0.31 -0.03 0.00 -0.56 0.00 0.00 39.33 39.98 1rfu h ASP 96 CO 0.18 -0.16 -0.06 0.40 -1.57 0.00 0.00 179.24 178.03 1rfu h ILE 97 N 0.15 0.80 -0.45 0.35 2.04 -0.44 -0.68 117.51 119.29 1rfu h ILE 97 Ca 0.45 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.39 1rfu h ILE 97 Cb 0.82 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 1rfu h ILE 97 CO -0.65 0.00 -0.00 0.58 0.00 0.00 0.00 178.15 178.08 1rfu h VAL 98 N -0.05 0.65 -0.33 1.67 2.07 0.33 -1.67 116.25 118.93 1rfu h VAL 98 Ca 0.07 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1rfu h VAL 98 Cb 0.15 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1rfu h VAL 98 CO -0.15 0.02 0.14 1.56 0.02 0.00 0.00 177.57 179.16 1rfu h GLN 99 N 0.11 0.49 -1.00 1.57 4.20 -0.47 0.72 115.11 120.73 1rfu h GLN 99 Ca 0.22 -0.08 0.14 0.00 0.06 0.00 0.00 58.65 58.99 1rfu h GLN 99 Cb 0.32 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 27.93 1rfu h GLN 99 CO -0.37 0.47 0.63 1.49 -0.67 0.00 0.00 178.83 180.38 1rfu h GLU 100 N 0.39 0.89 -0.27 1.46 4.81 -0.60 -0.95 114.58 120.31 1rfu h GLU 100 Ca 0.11 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.11 1rfu h GLU 100 Cb 0.16 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1rfu h GLU 100 CO -0.01 0.59 -0.54 -0.07 -0.73 0.00 0.00 179.01 178.25 1rfu h LEU 101 N 0.92 0.94 -1.91 1.64 3.38 -0.76 -2.78 115.31 116.73 1rfu h LEU 101 Ca 0.52 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1rfu h LEU 101 Cb 0.62 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1rfu h LEU 101 CO -0.29 1.30 -0.08 0.11 0.09 0.00 0.00 178.44 179.57 1rfu h LYS 102 N 0.61 0.00 0.06 1.13 1.57 0.37 0.27 116.57 120.58 1rfu h LYS 102 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1rfu h LYS 102 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1rfu h LYS 102 CO 0.12 0.08 -0.03 1.96 -0.57 0.00 0.00 179.45 181.01 1rfu h GLN 103 N 0.00 -0.08 -0.20 3.15 7.50 -1.11 -2.61 115.11 121.76 1rfu h GLN 103 Ca -0.00 0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.17 1rfu h GLN 103 Cb 0.16 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 1rfu h GLN 103 CO 0.01 0.40 0.07 1.96 -1.50 0.00 0.00 178.83 179.77 1rfu h GLN 104 N -0.60 0.17 -4.32 1.46 4.20 -1.14 -3.37 115.11 111.51 1rfu h GLN 104 Ca -0.01 -0.01 -0.63 0.00 0.06 0.00 0.00 58.65 58.06 1rfu h GLN 104 Cb 0.51 -0.04 -0.40 0.00 0.30 0.00 0.00 27.48 27.86 1rfu h GLN 104 CO 0.01 0.11 -0.74 1.21 -0.67 0.00 0.00 178.83 178.76 1rfu s ASN 105 N -5.31 4.47 0.53 1.46 3.04 0.90 -4.96 114.94 115.07 1rfu s ASN 105 Ca -0.13 -1.91 0.29 0.00 0.04 0.00 0.00 52.86 51.15 1rfu s ASN 105 Cb 0.09 -1.36 1.49 0.00 -1.54 0.00 0.00 41.25 39.93 1rfu s ASN 105 CO 0.69 -0.37 2.07 -0.65 -3.04 0.00 0.00 177.10 175.80 1rfu h PRO 106 N 7.79 0.00 -0.00 0.43 0.11 -1.64 -2.43 132.00 136.26 1rfu h PRO 106 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1rfu h PRO 106 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1rfu h PRO 106 CO 0.50 0.11 -0.02 0.54 -0.21 0.00 0.00 178.00 178.91 1rfu n ARG 107 N -3.54 1.01 -2.04 1.05 1.74 -1.26 -4.90 116.66 108.72 1rfu n ARG 107 Ca -0.02 -0.22 -0.39 0.00 -0.77 0.00 0.00 57.85 56.45 1rfu n ARG 107 Cb 0.24 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1rfu n ARG 107 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1rfu s LEU 108 N -2.14 4.19 -0.09 0.55 0.20 -0.91 -4.97 118.68 115.50 1rfu s LEU 108 Ca 0.41 2.66 0.02 0.00 0.69 0.00 0.00 54.13 57.91 1rfu s LEU 108 Cb 0.21 -3.93 -0.01 0.00 -0.43 0.00 0.00 46.19 42.03 1rfu s LEU 108 CO 0.39 -0.89 -0.17 -0.69 -0.29 0.00 0.00 176.35 174.70 1rfu s VAL 109 N -1.27 2.74 -0.31 1.68 1.01 -0.74 -4.99 120.40 118.51 1rfu s VAL 109 Ca 0.58 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1rfu s VAL 109 Cb -0.38 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 33.95 1rfu s VAL 109 CO 0.49 0.55 0.04 -0.47 0.00 0.00 0.00 175.10 175.71 1rfu s TYR 110 N -0.01 3.24 -0.21 5.22 6.04 -1.26 -0.92 117.35 129.45 1rfu s TYR 110 Ca -0.05 -1.61 -0.17 0.00 0.04 0.00 0.00 57.07 55.28 1rfu s TYR 110 Cb -0.14 -2.18 -0.03 0.00 -1.04 0.00 0.00 41.96 38.56 1rfu s TYR 110 CO 0.04 -0.75 0.48 0.08 -1.54 0.00 0.00 175.55 173.86 1rfu s VAL 111 N 1.34 5.13 -0.21 3.14 1.01 0.26 -1.62 120.40 129.45 1rfu s VAL 111 Ca -0.03 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.82 1rfu s VAL 111 Cb -0.19 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1rfu s VAL 111 CO 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 175.10 175.13 1rfu s ASP 113 N 1.26 6.18 -0.62 0.00 3.68 -0.81 -2.50 116.67 123.85 1rfu s ASP 113 Ca 0.01 -1.52 -0.04 0.00 2.13 0.00 0.00 52.55 53.13 1rfu s ASP 113 Cb -0.15 -2.22 -0.04 0.00 -1.45 0.00 0.00 42.92 39.06 1rfu s ASP 113 CO -0.10 -0.84 1.76 -0.81 0.13 0.00 0.00 175.17 175.31 1rfu n PRO 114 N 5.48 1.43 -1.84 4.34 -0.04 -1.26 -4.41 135.00 138.69 1rfu n PRO 114 Ca -0.12 -1.15 -0.41 0.00 -0.04 0.00 0.00 63.50 61.78 1rfu n PRO 114 Cb 0.42 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 1rfu n PRO 114 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rfu s VAL 115 N 3.88 3.27 0.00 0.52 1.01 -1.26 -4.69 120.40 123.12 1rfu s VAL 115 Ca 0.27 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1rfu s VAL 115 Cb 0.07 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1rfu s VAL 115 CO -0.02 -0.33 0.00 0.23 0.00 0.00 0.00 175.10 174.98 1rfu n MET 116 N 8.72 0.00 -3.10 2.72 2.81 -1.26 -4.69 117.12 122.32 1rfu n MET 116 Ca 0.26 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 56.06 1rfu n MET 116 Cb 0.48 -0.27 -0.02 0.00 -0.71 0.00 0.00 33.22 32.71 1rfu n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rfu n GLY 117 N 1.74 2.41 3.26 3.03 0.00 -1.26 0.12 105.19 114.48 1rfu n GLY 117 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 1rfu n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rfu s ASP 118 N -2.39 2.86 -0.93 1.61 2.15 -1.05 -4.73 116.67 114.18 1rfu s ASP 118 Ca 0.18 -0.46 -0.02 0.00 0.43 0.00 0.00 52.55 52.68 1rfu s ASP 118 Cb -0.01 -0.55 0.30 0.00 -0.30 0.00 0.00 42.92 42.36 1rfu s ASP 118 CO 0.13 0.26 2.02 0.00 -0.17 0.00 0.00 175.17 177.41 1rfu n GLN 119 N 2.74 4.04 -4.09 4.34 10.64 -1.26 -3.13 117.38 130.66 1rfu n GLN 119 Ca -0.17 -3.93 -0.31 0.00 -1.83 0.00 0.00 57.00 50.76 1rfu n GLN 119 Cb 0.52 -2.37 -0.07 0.00 -0.86 0.00 0.00 30.24 27.46 1rfu n GLN 119 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1rfu s ARG 120 N -3.81 2.86 -1.11 2.61 1.70 -1.26 -4.56 118.95 115.37 1rfu s ARG 120 Ca 0.47 -0.67 -0.02 0.00 -0.47 0.00 0.00 55.73 55.04 1rfu s ARG 120 Cb 0.31 -2.72 0.00 0.00 -0.57 0.00 0.00 34.95 31.97 1rfu s ARG 120 CO -0.26 0.58 0.25 0.09 -1.08 0.00 0.00 175.30 174.89 1rfu n ASN 121 N 0.67 -4.53 0.00 -2.89 4.13 -1.26 -4.45 115.26 106.93 1rfu n ASN 121 Ca -0.10 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.04 1rfu n ASN 121 Cb 0.52 -3.51 0.00 0.00 -1.54 0.00 0.00 39.78 35.25 1rfu n ASN 121 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rfu n GLY 122 N -1.17 1.05 3.90 7.41 0.00 -1.26 -4.96 105.19 110.15 1rfu n GLY 122 Ca -0.11 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 1rfu n GLY 122 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rfu s GLU 123 N 0.00 3.37 0.00 1.61 -1.05 -1.26 -4.93 118.70 116.43 1rfu s GLU 123 Ca 0.00 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 1rfu s GLU 123 Cb 0.00 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 1rfu s GLU 123 CO 0.00 0.60 0.00 0.41 0.95 0.00 0.00 175.26 177.22 1rfu n GLY 124 N 0.28 3.06 3.09 -3.83 0.00 -1.26 -4.69 105.19 101.85 1rfu n GLY 124 Ca -0.06 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 1rfu n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rfu s ALA 125 N -2.00 -0.37 0.51 4.61 0.00 -1.18 -5.02 121.76 118.31 1rfu s ALA 125 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.83 1rfu s ALA 125 Cb 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 1rfu s ALA 125 CO 0.00 -0.17 1.10 -1.64 0.00 0.00 0.00 175.76 175.05 1rfu s MET 126 N -0.92 3.56 -0.31 0.00 -1.94 -1.26 -2.54 119.30 115.89 1rfu s MET 126 Ca -0.10 1.55 0.08 0.00 -1.71 0.00 0.00 55.69 55.51 1rfu s MET 126 Cb -0.06 -2.09 0.53 0.00 2.01 0.00 0.00 34.83 35.22 1rfu s MET 126 CO 0.01 -0.66 1.52 2.48 -0.01 0.00 0.00 175.02 178.36 1rfu n TYR 127 N -1.07 1.31 -3.87 -0.03 0.18 0.32 -4.88 117.16 109.12 1rfu n TYR 127 Ca 0.10 -1.64 -0.10 0.00 1.88 0.00 0.00 57.90 58.14 1rfu n TYR 127 Cb 0.51 -0.55 -0.08 0.00 -0.38 0.00 0.00 39.34 38.84 1rfu n TYR 127 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 1rfu s VAL 128 N -3.26 0.13 0.51 -3.48 -7.23 -1.16 -4.99 120.40 100.91 1rfu s VAL 128 Ca 0.46 -1.06 -0.21 0.00 -1.81 0.00 0.00 61.98 59.36 1rfu s VAL 128 Cb 0.42 -1.10 -0.08 0.00 0.56 0.00 0.00 36.38 36.17 1rfu s VAL 128 CO 0.01 -0.58 0.91 -2.65 -0.31 0.00 0.00 175.10 172.47 1rfu n PRO 129 N 0.38 1.06 0.07 4.82 -0.02 -1.26 -4.88 135.00 135.16 1rfu n PRO 129 Ca -0.17 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 61.73 1rfu n PRO 129 Cb 0.60 -2.02 0.41 0.00 -0.02 0.00 0.00 33.50 32.47 1rfu n PRO 129 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1rfu h ASP 130 N 0.97 0.33 0.00 2.55 5.19 -1.98 -3.04 116.42 120.45 1rfu h ASP 130 Ca -0.46 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1rfu h ASP 130 Cb 1.36 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.78 1rfu h ASP 130 CO 0.53 0.36 0.04 -0.90 -3.12 0.00 0.00 179.24 176.15 1rfu n ASP 131 N -4.37 0.00 0.01 6.45 5.68 -1.26 -1.17 116.55 121.88 1rfu n ASP 131 Ca 0.01 0.24 -0.07 0.00 -0.50 0.00 0.00 54.79 54.46 1rfu n ASP 131 Cb 0.17 -0.24 -0.13 0.00 -1.14 0.00 0.00 41.12 39.79 1rfu n ASP 131 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1rfu h LEU 132 N 0.00 0.00 0.01 -2.12 3.38 -1.90 -3.34 115.31 111.34 1rfu h LEU 132 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1rfu h LEU 132 Cb 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1rfu h LEU 132 CO 0.00 0.96 -0.31 0.25 0.09 0.00 0.00 178.44 179.43 1rfu h LEU 133 N 0.00 -0.92 -0.34 1.67 5.85 -1.37 0.30 115.31 120.49 1rfu h LEU 133 Ca -0.20 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1rfu h LEU 133 Cb 1.91 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 43.25 1rfu h LEU 133 CO 0.09 -0.38 -0.07 1.55 -0.34 0.00 0.00 178.44 179.30 1rfu h PRO 134 N -0.47 0.02 -0.46 5.25 0.13 -1.73 0.46 132.00 135.20 1rfu h PRO 134 Ca 0.06 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.23 1rfu h PRO 134 Cb 0.55 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.63 1rfu h PRO 134 CO -0.25 0.01 0.23 0.28 -0.23 0.00 0.00 178.00 178.04 1rfu h VAL 135 N 0.02 0.96 -0.38 1.56 2.07 -1.47 0.33 116.25 119.34 1rfu h VAL 135 Ca 0.16 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1rfu h VAL 135 Cb 0.24 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1rfu h VAL 135 CO -0.33 0.08 0.11 1.88 0.02 0.00 0.00 177.57 179.33 1rfu h TYR 136 N 0.46 0.63 -0.68 1.57 -1.99 0.00 0.27 116.97 117.23 1rfu h TYR 136 Ca 0.20 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.81 1rfu h TYR 136 Cb 0.11 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 1rfu h TYR 136 CO -0.10 0.60 0.19 -0.09 -0.00 0.00 0.00 178.16 178.76 1rfu h ARG 137 N 0.47 1.05 0.00 4.88 2.43 0.57 -1.02 114.38 122.78 1rfu h ARG 137 Ca 0.12 -0.23 -0.24 0.00 -0.81 0.00 0.00 59.98 58.82 1rfu h ARG 137 Cb 0.28 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 1rfu h ARG 137 CO -0.00 0.91 -1.95 0.39 -1.51 0.00 0.00 179.97 177.81 1rfu n GLU 138 N -4.25 1.63 -0.06 0.20 1.02 0.11 -4.65 120.64 114.64 1rfu n GLU 138 Ca 0.05 -0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.12 1rfu n GLU 138 Cb 0.23 -1.36 -0.09 0.00 -0.02 0.00 0.00 31.44 30.20 1rfu n GLU 138 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1rfu n LYS 139 N -2.50 1.94 -0.07 3.49 5.02 0.01 -4.63 118.16 121.42 1rfu n LYS 139 Ca -0.22 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.03 1rfu n LYS 139 Cb 0.93 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.62 1rfu n LYS 139 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1rfu h VAL 140 N 0.00 0.06 -0.87 -0.18 2.07 -1.32 -3.37 116.25 112.64 1rfu h VAL 140 Ca -0.32 -1.06 0.19 0.00 0.82 0.00 0.00 66.70 66.32 1rfu h VAL 140 Cb 1.72 0.13 -0.11 0.00 -1.52 0.00 0.00 31.29 31.51 1rfu h VAL 140 CO 0.01 0.02 0.41 0.58 0.02 0.00 0.00 177.57 178.62 1rfu h VAL 141 N -1.00 0.59 -0.75 2.57 2.07 -1.45 -1.55 116.25 116.73 1rfu h VAL 141 Ca -0.01 -0.17 0.17 0.00 0.82 0.00 0.00 66.70 67.51 1rfu h VAL 141 Cb 0.39 0.05 -0.13 0.00 -1.52 0.00 0.00 31.29 30.07 1rfu h VAL 141 CO -0.01 0.09 0.04 -0.65 0.02 0.00 0.00 177.57 177.06 1rfu h PRO 142 N 0.50 0.12 -0.05 1.57 0.11 -1.75 -0.36 132.00 132.15 1rfu h PRO 142 Ca 0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1rfu h PRO 142 Cb 0.87 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1rfu h PRO 142 CO -0.45 0.08 0.00 1.55 -0.21 0.00 0.00 178.00 178.97 1rfu n VAL 143 N -5.32 0.04 -3.07 3.15 3.14 -0.62 -4.36 118.33 111.29 1rfu n VAL 143 Ca 0.14 -0.25 -0.37 0.00 -2.96 0.00 0.00 64.34 60.89 1rfu n VAL 143 Cb 0.48 0.39 -0.06 0.00 -1.06 0.00 0.00 33.84 33.59 1rfu n VAL 143 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rfu s ALA 144 N -1.96 3.44 -0.12 1.55 0.00 -0.14 -4.86 121.76 119.67 1rfu s ALA 144 Ca 0.37 0.22 0.19 0.00 0.00 0.00 0.00 51.96 52.75 1rfu s ALA 144 Cb 0.20 -2.85 -0.22 0.00 0.00 0.00 0.00 23.12 20.25 1rfu s ALA 144 CO 0.32 0.32 0.53 -0.25 0.00 0.00 0.00 175.76 176.68 1rfu n ASP 145 N 1.12 0.36 -3.68 0.00 8.00 -0.64 -1.62 116.55 120.09 1rfu n ASP 145 Ca -0.04 0.15 -0.11 0.00 0.71 0.00 0.00 54.79 55.50 1rfu n ASP 145 Cb 0.50 0.97 -0.12 0.00 -0.02 0.00 0.00 41.12 42.46 1rfu n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rfu s ILE 146 N -3.02 -0.33 0.03 0.53 1.01 -1.05 -2.84 121.20 115.54 1rfu s ILE 146 Ca -0.06 0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.84 1rfu s ILE 146 Cb 0.10 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 1rfu s ILE 146 CO 0.84 0.08 -0.17 0.27 0.00 0.00 0.00 174.94 175.96 1rfu s ILE 147 N 2.06 2.85 -0.54 2.92 -4.36 -0.95 0.60 121.20 123.79 1rfu s ILE 147 Ca -0.04 -1.13 0.07 0.00 -0.26 0.00 0.00 60.65 59.29 1rfu s ILE 147 Cb -0.11 -2.20 0.32 0.00 1.25 0.00 0.00 42.46 41.72 1rfu s ILE 147 CO -0.11 0.36 0.83 0.35 0.24 0.00 0.00 174.94 176.61 1rfu n THR 148 N 1.61 1.99 -1.45 8.37 -2.24 -1.04 -1.81 114.28 119.70 1rfu n THR 148 Ca -0.16 -5.19 -0.31 0.00 -2.27 0.00 0.00 64.05 56.12 1rfu n THR 148 Cb 0.52 -1.37 0.08 0.00 -2.10 0.00 0.00 70.33 67.46 1rfu n THR 148 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1rfu s PRO 149 N -2.88 2.47 0.23 -0.78 0.04 -0.98 -4.56 135.00 128.55 1rfu s PRO 149 Ca 0.44 0.95 -0.18 0.00 0.04 0.00 0.00 61.00 62.26 1rfu s PRO 149 Cb 0.26 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.78 1rfu s PRO 149 CO -0.10 -1.43 0.69 1.21 0.04 0.00 0.00 177.00 177.41 1rfu s ASN 150 N -3.67 6.96 0.19 6.66 3.04 -1.26 -2.10 114.94 124.76 1rfu s ASN 150 Ca 0.60 1.33 -0.17 0.00 0.04 0.00 0.00 52.86 54.66 1rfu s ASN 150 Cb -0.15 -2.39 0.15 0.00 -1.54 0.00 0.00 41.25 37.32 1rfu s ASN 150 CO 0.55 -0.00 1.63 -0.61 -3.04 0.00 0.00 177.10 175.63 1rfu h GLN 151 N 3.21 -0.08 0.09 0.43 4.15 -1.90 1.72 115.11 122.73 1rfu h GLN 151 Ca -0.48 0.01 0.01 0.00 0.77 0.00 0.00 58.65 58.95 1rfu h GLN 151 Cb 1.19 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 1rfu h GLN 151 CO 0.65 -0.05 -0.33 0.35 -1.93 0.00 0.00 178.83 177.52 1rfu h PHE 152 N -0.08 -0.97 -0.42 3.99 3.57 -1.93 0.37 116.94 121.48 1rfu h PHE 152 Ca 0.24 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.85 1rfu h PHE 152 Cb 0.45 0.41 -0.08 0.00 2.79 0.00 0.00 35.95 39.52 1rfu h PHE 152 CO -0.49 -0.38 -0.11 0.93 -2.23 0.00 0.00 178.31 176.03 1rfu h GLU 153 N -0.48 -0.01 -0.69 1.11 5.08 -1.58 0.27 114.58 118.27 1rfu h GLU 153 Ca -0.01 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.49 1rfu h GLU 153 Cb 0.48 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 1rfu h GLU 153 CO -0.18 -0.01 0.20 0.00 -1.00 0.00 0.00 179.01 178.02 1rfu h ALA 154 N 1.39 0.90 0.37 3.43 0.00 0.33 0.34 119.26 126.01 1rfu h ALA 154 Ca 0.20 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1rfu h ALA 154 Cb 0.32 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rfu h ALA 154 CO -0.44 -0.28 -0.18 0.93 0.00 0.00 0.00 179.25 179.28 1rfu h GLU 155 N 0.32 -0.48 -0.96 0.00 5.08 0.13 -2.31 114.58 116.36 1rfu h GLU 155 Ca 0.38 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 59.04 1rfu h GLU 155 Cb 0.59 0.11 -0.14 0.00 0.50 0.00 0.00 28.75 29.81 1rfu h GLU 155 CO -0.44 -0.29 0.47 1.25 -1.00 0.00 0.00 179.01 179.00 1rfu h LEU 156 N -0.55 0.39 0.09 1.33 5.85 0.29 0.28 115.31 123.00 1rfu h LEU 156 Ca -0.05 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1rfu h LEU 156 Cb 0.41 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1rfu h LEU 156 CO 0.08 -0.08 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.99 1rfu h LEU 157 N 0.35 -0.10 0.00 2.25 3.38 -0.32 -3.17 115.31 117.70 1rfu h LEU 157 Ca 0.65 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1rfu h LEU 157 Cb 1.37 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1rfu h LEU 157 CO -0.58 0.53 0.00 0.35 0.09 0.00 0.00 178.44 178.83 1rfu n THR 158 N -4.84 0.00 -0.88 0.22 -2.24 -0.89 -4.87 114.28 100.78 1rfu n THR 158 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1rfu n THR 158 Cb 0.29 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1rfu n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rfu n GLY 159 N 0.43 0.13 0.00 3.38 0.00 0.95 -4.96 105.19 105.13 1rfu n GLY 159 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1rfu n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rfu n ARG 160 N -0.47 3.52 -3.70 1.61 1.74 -1.05 -4.96 116.66 113.35 1rfu n ARG 160 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1rfu n ARG 160 Cb 0.28 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.60 1rfu n ARG 160 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1rfu s LYS 161 N 2.58 0.34 0.17 5.56 2.20 -1.26 -4.45 119.74 124.87 1rfu s LYS 161 Ca 0.00 0.71 -0.20 0.00 -0.36 0.00 0.00 55.97 56.12 1rfu s LYS 161 Cb 0.00 -0.05 -0.08 0.00 -1.51 0.00 0.00 37.83 36.19 1rfu s LYS 161 CO 0.00 -0.16 0.69 0.42 -0.36 0.00 0.00 175.35 175.94 1rfu s ILE 162 N 1.35 4.59 0.00 5.43 -1.09 -1.26 -4.92 121.20 125.30 1rfu s ILE 162 Ca -0.09 1.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 1rfu s ILE 162 Cb -0.09 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 1rfu s ILE 162 CO -0.11 0.34 0.45 0.00 -1.23 0.00 0.00 174.94 174.39 1rfu n HIS 163 N 1.10 0.00 -3.48 3.97 1.44 -1.26 -5.05 115.22 111.93 1rfu n HIS 163 Ca -0.05 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.56 1rfu n HIS 163 Cb 0.51 0.07 -0.02 0.00 0.12 0.00 0.00 29.99 30.67 1rfu n HIS 163 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1rfu s SER 164 N -0.20 -0.43 0.15 4.39 1.04 -1.26 -4.99 113.70 112.40 1rfu s SER 164 Ca 0.00 0.05 -0.16 0.00 0.48 0.00 0.00 55.95 56.32 1rfu s SER 164 Cb 0.00 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.61 1rfu s SER 164 CO 0.00 -0.70 1.77 -0.61 0.98 0.00 0.00 173.24 174.68 1rfu h GLN 165 N 2.07 0.34 0.00 4.02 4.15 -1.99 -1.29 115.11 122.41 1rfu h GLN 165 Ca -0.25 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1rfu h GLN 165 Cb 1.25 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1rfu h GLN 165 CO 0.33 0.22 0.00 -1.91 -1.93 0.00 0.00 178.83 175.54 1rfu n GLU 166 N -4.96 0.00 -0.19 1.69 2.13 -1.26 0.07 120.64 118.12 1rfu n GLU 166 Ca 0.01 0.72 0.18 0.00 0.66 0.00 0.00 57.16 58.74 1rfu n GLU 166 Cb 0.10 -1.45 0.34 0.00 0.27 0.00 0.00 31.44 30.70 1rfu n GLU 166 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1rfu n GLU 167 N -2.37 -0.04 0.12 5.31 -0.58 -1.08 0.16 120.64 122.16 1rfu n GLU 167 Ca 0.00 0.83 -0.05 0.00 -0.42 0.00 0.00 57.16 57.52 1rfu n GLU 167 Cb 0.00 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.37 1rfu n GLU 167 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rfu h ALA 168 N 1.19 -0.77 -1.37 0.62 0.00 0.84 -2.81 119.26 116.97 1rfu h ALA 168 Ca 0.50 -0.07 0.45 0.00 0.00 0.00 0.00 54.91 55.79 1rfu h ALA 168 Cb 1.31 0.12 -0.13 0.00 0.00 0.00 0.00 17.79 19.09 1rfu h ALA 168 CO -0.46 -0.74 0.89 -0.07 0.00 0.00 0.00 179.25 178.86 1rfu h LEU 169 N -0.41 0.22 0.55 0.00 3.38 0.47 0.41 115.31 119.93 1rfu h LEU 169 Ca -0.03 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1rfu h LEU 169 Cb 0.23 0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1rfu h LEU 169 CO 0.05 -0.19 -0.27 -0.33 0.09 0.00 0.00 178.44 177.79 1rfu h GLU 170 N 0.06 -0.72 -1.05 1.13 5.08 -0.89 -2.05 114.58 116.14 1rfu h GLU 170 Ca 0.84 0.05 0.27 0.00 -1.00 0.00 0.00 59.36 59.52 1rfu h GLU 170 Cb 2.70 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 32.01 1rfu h GLU 170 CO -0.41 -0.42 0.66 0.28 -1.00 0.00 0.00 179.01 178.13 1rfu h VAL 171 N -0.92 0.49 -0.56 3.13 2.07 0.08 0.96 116.25 121.50 1rfu h VAL 171 Ca -0.08 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1rfu h VAL 171 Cb 0.63 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1rfu h VAL 171 CO 0.12 0.08 -0.03 0.24 0.02 0.00 0.00 177.57 178.00 1rfu h MET 172 N 0.41 1.01 0.18 1.57 2.86 -1.21 0.95 114.93 120.70 1rfu h MET 172 Ca 0.63 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1rfu h MET 172 Cb 1.52 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.09 1rfu h MET 172 CO -0.36 1.01 -0.12 -0.44 1.06 0.00 0.00 176.91 178.07 1rfu h ASP 173 N 0.89 -0.30 -0.60 1.22 3.45 0.14 0.23 116.42 121.46 1rfu h ASP 173 Ca 0.16 0.02 0.09 0.00 0.43 0.00 0.00 57.03 57.72 1rfu h ASP 173 Cb 0.58 0.09 -0.07 0.00 -0.56 0.00 0.00 39.33 39.37 1rfu h ASP 173 CO 0.03 -0.19 0.24 0.24 -1.57 0.00 0.00 179.24 177.99 1rfu h MET 174 N -0.30 0.42 0.48 3.56 2.86 0.30 0.07 114.93 122.32 1rfu h MET 174 Ca -0.01 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1rfu h MET 174 Cb 0.25 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1rfu h MET 174 CO 0.01 0.27 -0.23 -0.07 1.06 0.00 0.00 176.91 177.96 1rfu h LEU 175 N 0.43 -0.55 -0.55 1.22 3.38 0.14 -2.38 115.31 117.00 1rfu h LEU 175 Ca 0.30 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.38 1rfu h LEU 175 Cb 0.34 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 1rfu h LEU 175 CO -0.28 -0.39 -0.35 0.45 0.09 0.00 0.00 178.44 177.96 1rfu h HIS 176 N -0.65 -0.99 -1.53 1.13 3.86 0.04 0.36 115.15 117.38 1rfu h HIS 176 Ca -0.07 0.07 0.45 0.00 -1.16 0.00 0.00 60.37 59.66 1rfu h HIS 176 Cb 0.50 0.51 -0.07 0.00 1.06 0.00 0.00 27.41 29.41 1rfu h HIS 176 CO -0.04 -0.39 1.09 1.03 0.86 0.00 0.00 177.93 180.47 1rfu h SER 177 N -0.20 0.05 1.55 2.45 0.87 -0.51 1.38 113.55 119.14 1rfu h SER 177 Ca 0.21 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1rfu h SER 177 Cb 0.55 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1rfu h SER 177 CO -0.65 -0.02 -0.19 0.24 -0.53 0.00 0.00 176.83 175.68 1rfu h MET 178 N 0.03 0.00 0.00 2.24 2.86 0.17 -3.48 114.93 116.74 1rfu h MET 178 Ca 0.75 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.39 1rfu h MET 178 Cb 2.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 34.57 1rfu h MET 178 CO -0.06 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.32 1rfu n GLY 179 N 1.22 -0.30 3.57 8.32 0.00 0.47 -3.44 105.19 115.03 1rfu n GLY 179 Ca 0.04 0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 1rfu n GLY 179 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rfu n PRO 180 N 0.00 1.20 -0.01 1.61 -0.04 -0.64 -4.87 135.00 132.25 1rfu n PRO 180 Ca 0.00 0.42 0.09 0.00 -0.04 0.00 0.00 63.50 63.97 1rfu n PRO 180 Cb 0.00 -1.82 -0.13 0.00 -0.04 0.00 0.00 33.50 31.51 1rfu n PRO 180 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rfu n ASP 181 N 1.06 0.80 -4.08 3.54 8.00 -1.14 -3.90 116.55 120.83 1rfu n ASP 181 Ca 0.10 -0.36 -0.30 0.00 0.71 0.00 0.00 54.79 54.94 1rfu n ASP 181 Cb 0.35 1.51 -0.17 0.00 -0.02 0.00 0.00 41.12 42.80 1rfu n ASP 181 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rfu s THR 182 N -3.05 1.65 -0.03 -3.53 2.01 -1.13 -0.66 115.64 110.90 1rfu s THR 182 Ca -0.01 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1rfu s THR 182 Cb 0.13 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 71.14 1rfu s THR 182 CO 0.76 0.47 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.38 1rfu s VAL 183 N 1.04 0.81 -0.04 3.82 1.01 0.65 -2.24 120.40 125.46 1rfu s VAL 183 Ca -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1rfu s VAL 183 Cb -0.15 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.54 1rfu s VAL 183 CO -0.03 0.25 0.02 -0.69 0.00 0.00 0.00 175.10 174.65 1rfu s VAL 184 N 0.22 0.10 -0.50 2.92 1.01 -0.75 0.26 120.40 123.65 1rfu s VAL 184 Ca -0.04 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 1rfu s VAL 184 Cb -0.09 -0.25 0.08 0.00 0.00 0.00 0.00 36.38 36.12 1rfu s VAL 184 CO 0.01 0.16 0.51 -0.63 0.00 0.00 0.00 175.10 175.15 1rfu s ILE 185 N 1.45 5.07 0.63 2.22 -1.09 0.37 -2.31 121.20 127.54 1rfu s ILE 185 Ca -0.04 -0.90 0.31 0.00 -2.23 0.00 0.00 60.65 57.79 1rfu s ILE 185 Cb -0.13 -4.24 0.31 0.00 -1.58 0.00 0.00 42.46 36.82 1rfu s ILE 185 CO -0.03 -0.73 1.94 0.71 -1.23 0.00 0.00 174.94 175.60 1rfu h THR 186 N 5.82 0.00 0.00 2.92 1.35 -1.71 -2.49 112.91 118.80 1rfu h THR 186 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1rfu h THR 186 Cb 1.10 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1rfu h THR 186 CO 0.94 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.67 1rfu n SER 187 N -2.87 0.00 -3.64 5.36 3.41 -1.25 -4.56 113.62 110.07 1rfu n SER 187 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.58 1rfu n SER 187 Cb 0.34 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1rfu n SER 187 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rfu s SER 188 N 0.00 -0.08 0.45 4.04 1.04 -0.63 -2.91 113.70 115.61 1rfu s SER 188 Ca 0.00 -0.32 0.26 0.00 0.48 0.00 0.00 55.95 56.37 1rfu s SER 188 Cb 0.00 0.32 0.63 0.00 0.10 0.00 0.00 66.02 67.07 1rfu s SER 188 CO 0.00 -0.60 1.71 0.78 0.98 0.00 0.00 173.24 176.11 1rfu h ASN 189 N 2.00 0.00 -0.27 7.02 2.35 -1.96 -3.31 115.58 121.41 1rfu h ASN 189 Ca -0.27 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.25 1rfu h ASN 189 Cb 1.21 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.59 1rfu h ASN 189 CO 0.29 0.00 0.13 0.18 -1.65 0.00 0.00 177.43 176.38 1rfu n LEU 190 N -3.02 0.22 -4.55 1.61 4.32 -1.26 -4.46 117.00 109.87 1rfu n LEU 190 Ca 0.03 0.32 -0.19 0.00 -0.02 0.00 0.00 56.01 56.15 1rfu n LEU 190 Cb 0.46 -0.24 -0.09 0.00 -1.62 0.00 0.00 43.42 41.93 1rfu n LEU 190 CO 0.32 -0.32 1.51 0.18 -1.22 0.00 0.00 177.39 177.86 1rfu n LEU 191 N 0.86 1.35 -4.59 2.23 4.77 -1.26 -4.80 117.00 115.57 1rfu n LEU 191 Ca 0.07 -1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 54.50 1rfu n LEU 191 Cb -0.00 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.63 1rfu n LEU 191 CO 0.22 -2.22 0.53 -1.20 -1.33 0.00 0.00 177.39 173.38 1rfu n SER 192 N 16.06 1.03 0.27 -1.43 7.64 -1.26 -4.80 113.62 131.13 1rfu n SER 192 Ca 0.49 1.05 0.17 0.00 1.01 0.00 0.00 58.87 61.60 1rfu n SER 192 Cb 0.39 -1.31 0.83 0.00 -1.01 0.00 0.00 64.21 63.11 1rfu n SER 192 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1rfu h PRO 193 N 1.56 0.00 -2.78 1.43 0.11 -1.98 -3.38 132.00 126.96 1rfu h PRO 193 Ca -0.43 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.46 1rfu h PRO 193 Cb 1.34 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.13 1rfu h PRO 193 CO 0.57 0.00 -0.54 -0.98 -0.21 0.00 0.00 178.00 176.84 1rfu s ARG 194 N -4.28 0.16 0.11 1.05 1.70 -1.26 -5.11 118.95 111.32 1rfu s ARG 194 Ca -0.04 0.68 0.00 0.00 -0.47 0.00 0.00 55.73 55.90 1rfu s ARG 194 Cb 0.11 -0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 1rfu s ARG 194 CO 0.37 -0.34 0.00 0.41 -1.08 0.00 0.00 175.30 174.66 1rfu n GLY 195 N 5.35 -3.36 0.14 3.88 0.00 -1.26 -4.57 105.19 105.37 1rfu n GLY 195 Ca -0.06 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.03 1rfu n GLY 195 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1rfu h SER 196 N 0.37 0.00 -0.63 1.61 0.87 -1.99 -3.28 113.55 110.49 1rfu h SER 196 Ca 0.00 -0.03 -0.36 0.00 -1.23 0.00 0.00 61.79 60.16 1rfu h SER 196 Cb 0.00 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.82 1rfu h SER 196 CO 0.00 0.02 0.33 -0.90 -0.53 0.00 0.00 176.83 175.74 1rfu n ASP 197 N -2.62 6.33 -3.71 6.23 5.68 -1.26 -4.81 116.55 122.39 1rfu n ASP 197 Ca 0.04 -3.04 -0.12 0.00 -0.50 0.00 0.00 54.79 51.17 1rfu n ASP 197 Cb 0.49 -1.15 -0.12 0.00 -1.14 0.00 0.00 41.12 39.19 1rfu n ASP 197 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1rfu s TYR 198 N -1.48 -0.43 -0.02 2.11 1.51 -1.24 -3.16 117.35 114.65 1rfu s TYR 198 Ca 0.43 0.96 -0.17 0.00 -1.01 0.00 0.00 57.07 57.28 1rfu s TYR 198 Cb 0.29 0.10 -0.05 0.00 -0.11 0.00 0.00 41.96 42.19 1rfu s TYR 198 CO -0.08 -0.28 0.46 -0.51 -1.11 0.00 0.00 175.55 174.02 1rfu s LEU 199 N 1.46 4.43 -0.07 -1.29 1.43 0.15 -4.76 118.68 120.03 1rfu s LEU 199 Ca -0.08 0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 54.00 1rfu s LEU 199 Cb -0.10 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1rfu s LEU 199 CO -0.10 0.22 -0.01 -0.32 0.23 0.00 0.00 176.35 176.38 1rfu s MET 200 N -0.60 2.91 -0.02 1.70 -2.45 -1.25 0.82 119.30 120.41 1rfu s MET 200 Ca 0.25 -0.46 0.02 0.00 -1.25 0.00 0.00 55.69 54.25 1rfu s MET 200 Cb -0.17 -2.74 0.00 0.00 1.25 0.00 0.00 34.83 33.17 1rfu s MET 200 CO 0.14 0.68 -0.07 0.00 1.05 0.00 0.00 175.02 176.82 1rfu s ALA 201 N -0.91 0.67 -0.08 4.11 0.00 0.36 -1.60 121.76 124.31 1rfu s ALA 201 Ca 0.14 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1rfu s ALA 201 Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1rfu s ALA 201 CO 0.04 0.12 -0.21 -0.51 0.00 0.00 0.00 175.76 175.20 1rfu s LEU 202 N 0.07 1.98 -0.12 0.00 1.43 -0.94 0.17 118.68 121.27 1rfu s LEU 202 Ca -0.01 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1rfu s LEU 202 Cb -0.06 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.92 1rfu s LEU 202 CO -0.00 0.14 -0.14 -0.83 0.23 0.00 0.00 176.35 175.75 1rfu s GLY 203 N 0.33 1.06 -0.01 -3.19 0.00 0.17 -0.48 107.32 105.19 1rfu s GLY 203 Ca -0.15 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1rfu s GLY 203 CO 0.07 0.40 -0.09 -0.45 0.00 0.00 0.00 173.10 173.02 1rfu s SER 204 N 1.25 4.44 -0.03 1.64 0.15 0.14 -0.79 113.70 120.49 1rfu s SER 204 Ca -0.01 -0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.44 1rfu s SER 204 Cb -0.14 -1.00 0.01 0.00 -1.71 0.00 0.00 66.02 63.19 1rfu s SER 204 CO -0.06 0.30 0.09 -1.58 1.20 0.00 0.00 173.24 173.18 1rfu s GLN 205 N -1.27 0.09 -0.09 5.44 0.74 0.45 -0.25 119.66 124.77 1rfu s GLN 205 Ca 0.16 0.14 -0.00 0.00 0.05 0.00 0.00 55.36 55.70 1rfu s GLN 205 Cb -0.11 0.02 0.02 0.00 1.10 0.00 0.00 33.01 34.05 1rfu s GLN 205 CO 0.06 -0.03 -0.05 0.50 -0.55 0.00 0.00 175.29 175.21 1rfu s ARG 206 N 0.16 1.18 0.02 1.67 3.52 0.16 -0.53 118.95 125.13 1rfu s ARG 206 Ca -0.01 -0.14 0.08 0.00 -0.13 0.00 0.00 55.73 55.52 1rfu s ARG 206 Cb -0.02 -1.28 -0.02 0.00 -1.56 0.00 0.00 34.95 32.06 1rfu s ARG 206 CO -0.00 -0.22 -0.23 0.99 -0.81 0.00 0.00 175.30 175.02 1rfu s THR 207 N 1.56 1.85 -0.44 4.11 2.01 -0.23 -4.81 115.64 119.69 1rfu s THR 207 Ca 0.01 -1.17 -0.09 0.00 0.31 0.00 0.00 61.69 60.75 1rfu s THR 207 Cb -0.13 -1.57 0.10 0.00 0.01 0.00 0.00 72.50 70.90 1rfu s THR 207 CO -0.05 0.36 0.29 -0.13 -0.69 0.00 0.00 174.62 174.41 1rfu s ARG 208 N -0.96 2.54 0.95 4.92 1.81 -1.26 0.00 118.95 126.95 1rfu s ARG 208 Ca 0.09 -1.59 -0.11 0.00 -1.72 0.00 0.00 55.73 52.41 1rfu s ARG 208 Cb -0.09 -3.84 0.14 0.00 -0.45 0.00 0.00 34.95 30.72 1rfu s ARG 208 CO 0.01 -1.05 1.02 0.00 -0.68 0.00 0.00 175.30 174.60 1rfu n ALA 209 N 4.91 -1.28 1.39 2.13 0.00 0.15 -4.84 120.51 122.97 1rfu n ALA 209 Ca -0.09 -0.62 0.09 0.00 0.00 0.00 0.00 53.44 52.81 1rfu n ALA 209 Cb 0.42 -2.12 0.52 0.00 0.00 0.00 0.00 19.45 18.27 1rfu n ALA 209 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1rfu n PRO 210 N -3.93 0.69 -0.23 0.00 -0.02 -1.26 -1.55 135.00 128.69 1rfu n PRO 210 Ca 0.10 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.65 1rfu n PRO 210 Cb 0.52 -1.40 0.19 0.00 -0.02 0.00 0.00 33.50 32.80 1rfu n PRO 210 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1rfu n ASP 211 N -0.90 3.20 0.00 2.55 5.68 -1.26 -4.96 116.55 120.86 1rfu n ASP 211 Ca 0.13 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 1rfu n ASP 211 Cb 0.06 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1rfu n ASP 211 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rfu n GLY 212 N 0.69 2.78 3.70 6.12 0.00 -0.60 -5.01 105.19 112.86 1rfu n GLY 212 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1rfu n GLY 212 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rfu n SER 213 N 0.51 2.62 -4.20 1.61 3.41 -1.26 -4.61 113.62 111.70 1rfu n SER 213 Ca 0.00 1.16 -0.41 0.00 -0.26 0.00 0.00 58.87 59.36 1rfu n SER 213 Cb 0.00 -1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 62.39 1rfu n SER 213 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1rfu s VAL 214 N -1.15 4.35 0.05 -3.33 -7.23 -1.26 0.32 120.40 112.15 1rfu s VAL 214 Ca 0.58 -2.39 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 1rfu s VAL 214 Cb -0.54 -3.81 -0.07 0.00 0.56 0.00 0.00 36.38 32.52 1rfu s VAL 214 CO 0.60 -0.87 1.54 0.54 -0.31 0.00 0.00 175.10 176.60 1rfu s VAL 215 N 0.55 3.28 -0.08 1.32 0.11 0.10 -4.83 120.40 120.85 1rfu s VAL 215 Ca 0.13 0.73 0.01 0.00 -2.93 0.00 0.00 61.98 59.91 1rfu s VAL 215 Cb -0.20 -3.47 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 1rfu s VAL 215 CO -0.04 0.00 -0.09 0.28 -3.33 0.00 0.00 175.10 171.93 1rfu s THR 216 N 2.42 3.50 -0.09 5.04 -1.32 -1.26 -1.07 115.64 122.86 1rfu s THR 216 Ca 0.70 -0.54 0.02 0.00 -1.21 0.00 0.00 61.69 60.65 1rfu s THR 216 Cb -0.37 -2.44 0.01 0.00 -1.51 0.00 0.00 72.50 68.20 1rfu s THR 216 CO 0.30 0.58 -0.15 -1.10 -2.21 0.00 0.00 174.62 172.04 1rfu s GLN 217 N -0.51 2.11 -0.05 7.08 -0.21 0.30 -5.03 119.66 123.35 1rfu s GLN 217 Ca 0.07 -0.53 -0.00 0.00 0.02 0.00 0.00 55.36 54.92 1rfu s GLN 217 Cb -0.12 -1.76 0.03 0.00 1.00 0.00 0.00 33.01 32.15 1rfu s GLN 217 CO 0.02 -0.02 -0.01 1.03 -2.12 0.00 0.00 175.29 174.19 1rfu s ARG 218 N 0.86 0.56 -0.00 2.91 1.81 -1.26 -0.41 118.95 123.41 1rfu s ARG 218 Ca -0.10 0.04 0.01 0.00 -1.72 0.00 0.00 55.73 53.96 1rfu s ARG 218 Cb -0.15 -0.76 -0.00 0.00 -0.45 0.00 0.00 34.95 33.58 1rfu s ARG 218 CO 0.01 -0.18 -0.03 0.96 -0.68 0.00 0.00 175.30 175.38 1rfu s ILE 219 N 1.34 0.25 0.12 1.52 -4.36 0.03 -1.74 121.20 118.36 1rfu s ILE 219 Ca -0.05 -0.18 0.10 0.00 -0.26 0.00 0.00 60.65 60.26 1rfu s ILE 219 Cb -0.13 -0.23 -0.04 0.00 1.25 0.00 0.00 42.46 43.31 1rfu s ILE 219 CO -0.02 0.04 -0.23 -0.60 0.24 0.00 0.00 174.94 174.37 1rfu s ARG 220 N -0.16 1.59 -0.01 0.37 3.52 -0.02 0.42 118.95 124.66 1rfu s ARG 220 Ca 0.00 -1.26 -0.01 0.00 -0.13 0.00 0.00 55.73 54.33 1rfu s ARG 220 Cb -0.02 -2.00 -0.00 0.00 -1.56 0.00 0.00 34.95 31.37 1rfu s ARG 220 CO -0.00 0.47 0.03 -1.64 -0.81 0.00 0.00 175.30 173.34 1rfu s MET 221 N -2.07 0.12 -0.27 5.12 -1.94 0.13 -0.92 119.30 119.45 1rfu s MET 221 Ca 0.16 -0.10 -0.05 0.00 -1.71 0.00 0.00 55.69 53.99 1rfu s MET 221 Cb -0.10 0.05 0.01 0.00 2.01 0.00 0.00 34.83 36.79 1rfu s MET 221 CO 0.08 -0.02 0.03 -1.21 -0.01 0.00 0.00 175.02 173.88 1rfu s GLU 222 N -0.34 3.11 0.07 2.03 2.02 -1.26 -0.49 118.70 123.84 1rfu s GLU 222 Ca -0.04 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.16 1rfu s GLU 222 Cb -0.03 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 1rfu s GLU 222 CO -0.00 -0.38 0.04 -1.64 0.02 0.00 0.00 175.26 173.30 1rfu s MET 223 N 1.46 2.77 -0.28 1.61 -1.94 0.24 -4.87 119.30 118.30 1rfu s MET 223 Ca 0.03 -0.71 -0.28 0.00 -1.71 0.00 0.00 55.69 53.01 1rfu s MET 223 Cb -0.16 -2.67 0.01 0.00 2.01 0.00 0.00 34.83 34.02 1rfu s MET 223 CO -0.00 0.57 1.01 -1.58 -0.01 0.00 0.00 175.02 175.01 1rfu s HIS 224 N -1.30 3.24 0.24 -0.03 2.46 -1.26 0.31 115.29 118.95 1rfu s HIS 224 Ca 0.26 1.25 -0.30 0.00 0.47 0.00 0.00 55.06 56.75 1rfu s HIS 224 Cb -0.12 -3.42 -0.09 0.00 -0.13 0.00 0.00 32.58 28.82 1rfu s HIS 224 CO 0.18 -0.60 1.27 0.21 -2.47 0.00 0.00 174.74 173.34 1rfu s LYS 225 N 3.33 4.42 -0.06 2.88 2.20 -1.19 -4.80 119.74 126.52 1rfu s LYS 225 Ca 0.42 2.05 -0.08 0.00 -0.36 0.00 0.00 55.97 58.00 1rfu s LYS 225 Cb -0.14 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1rfu s LYS 225 CO 0.11 -0.17 0.22 0.08 -0.36 0.00 0.00 175.35 175.23 1rfu s VAL 226 N -0.35 5.38 -0.22 4.02 1.01 -1.26 -4.87 120.40 124.11 1rfu s VAL 226 Ca 0.53 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 1rfu s VAL 226 Cb -0.36 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1rfu s VAL 226 CO 0.42 0.52 1.83 -0.67 0.00 0.00 0.00 175.10 177.20 1rfu n ASP 227 N 1.64 2.70 -3.66 3.32 -0.08 -1.26 -4.75 116.55 114.46 1rfu n ASP 227 Ca -0.16 -2.02 -0.04 0.00 -1.51 0.00 0.00 54.79 51.06 1rfu n ASP 227 Cb 0.54 -0.71 -0.01 0.00 2.34 0.00 0.00 41.12 43.27 1rfu n ASP 227 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rfu s ALA 228 N 2.69 -1.83 -0.36 -1.67 0.00 -1.26 -5.03 121.76 114.30 1rfu s ALA 228 Ca 0.29 0.52 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 1rfu s ALA 228 Cb 0.12 0.49 0.07 0.00 0.00 0.00 0.00 23.12 23.80 1rfu s ALA 228 CO -0.01 -0.94 0.13 0.08 0.00 0.00 0.00 175.76 175.02 1rfu s VAL 229 N -3.03 3.45 0.54 0.00 1.01 -1.26 -5.10 120.40 116.02 1rfu s VAL 229 Ca 0.11 -1.54 0.02 0.00 0.00 0.00 0.00 61.98 60.57 1rfu s VAL 229 Cb -0.00 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.30 1rfu s VAL 229 CO -0.02 -0.37 0.76 -0.36 0.00 0.00 0.00 175.10 175.11 1rfu s PHE 230 N 1.28 2.80 -0.05 5.22 0.40 -1.26 -4.97 117.98 121.39 1rfu s PHE 230 Ca 0.01 -0.07 -0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1rfu s PHE 230 Cb -0.21 -2.72 0.04 0.00 0.51 0.00 0.00 43.02 40.64 1rfu s PHE 230 CO -0.01 -0.86 0.11 0.08 0.70 0.00 0.00 175.22 175.25 1rfu s VAL 231 N -2.73 -0.06 0.00 -0.44 1.01 -1.26 -4.75 120.40 112.17 1rfu s VAL 231 Ca 0.57 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1rfu s VAL 231 Cb -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1rfu s VAL 231 CO 0.38 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1rfu n GLY 232 N 4.25 2.06 0.30 4.51 0.00 -1.26 -4.70 105.19 110.35 1rfu n GLY 232 Ca -0.26 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 1rfu n GLY 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rfu h THR 233 N 0.00 0.37 -0.63 2.61 1.35 -1.86 -0.73 112.91 114.03 1rfu h THR 233 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 1rfu h THR 233 Cb 0.00 0.37 -0.12 0.00 -1.73 0.00 0.00 68.15 66.67 1rfu h THR 233 CO 0.00 0.00 -0.33 1.23 -0.25 0.00 0.00 175.52 176.17 1rfu h GLY 234 N -0.38 -0.05 0.88 5.82 0.00 -1.95 0.46 103.07 107.86 1rfu h GLY 234 Ca 0.08 0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.86 1rfu h GLY 234 CO -0.29 -0.21 0.42 -0.55 0.00 0.00 0.00 176.54 175.91 1rfu h ASP 235 N -0.14 0.69 -0.20 0.19 3.32 -1.79 -1.68 116.42 116.81 1rfu h ASP 235 Ca 0.25 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.33 1rfu h ASP 235 Cb 0.55 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1rfu h ASP 235 CO -0.70 0.48 0.02 0.25 -1.72 0.00 0.00 179.24 177.56 1rfu h LEU 236 N 0.82 -0.04 -0.05 1.55 5.85 0.50 -2.38 115.31 121.56 1rfu h LEU 236 Ca 0.27 0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1rfu h LEU 236 Cb 0.01 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1rfu h LEU 236 CO -0.10 0.01 -0.15 0.15 -0.34 0.00 0.00 178.44 178.01 1rfu h PHE 237 N 0.09 -0.44 -0.62 1.25 3.57 -0.35 -1.02 116.94 119.42 1rfu h PHE 237 Ca 0.09 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.73 1rfu h PHE 237 Cb 0.10 0.20 -0.12 0.00 2.79 0.00 0.00 35.95 38.92 1rfu h PHE 237 CO -0.16 -0.14 -0.22 0.00 -2.23 0.00 0.00 178.31 175.56 1rfu h ALA 238 N -1.10 0.28 -0.27 2.41 0.00 -1.26 1.38 119.26 120.69 1rfu h ALA 238 Ca 0.01 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1rfu h ALA 238 Cb 0.18 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1rfu h ALA 238 CO -0.12 -0.50 -0.18 0.00 0.00 0.00 0.00 179.25 178.44 1rfu h ALA 239 N 1.44 -0.00 -0.44 0.00 0.00 -1.10 1.08 119.26 120.24 1rfu h ALA 239 Ca 0.29 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 1rfu h ALA 239 Cb 0.50 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1rfu h ALA 239 CO -0.67 -0.59 -0.14 0.52 0.00 0.00 0.00 179.25 178.36 1rfu h MET 240 N -0.17 0.87 -0.53 0.00 2.07 0.21 -2.36 114.93 115.03 1rfu h MET 240 Ca 0.15 -0.35 0.08 0.00 -2.07 0.00 0.00 59.70 57.51 1rfu h MET 240 Cb 0.39 -0.04 -0.07 0.00 -1.87 0.00 0.00 31.60 30.01 1rfu h MET 240 CO -0.37 0.99 0.14 1.25 1.07 0.00 0.00 176.91 180.00 1rfu h LEU 241 N 0.70 0.08 -1.65 1.22 5.85 0.30 0.62 115.31 122.42 1rfu h LEU 241 Ca 0.11 0.08 0.20 0.00 0.84 0.00 0.00 57.88 59.11 1rfu h LEU 241 Cb 0.69 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1rfu h LEU 241 CO 0.05 0.07 0.57 0.25 -0.34 0.00 0.00 178.44 179.04 1rfu h LEU 242 N 0.30 0.30 0.10 2.25 6.46 0.17 -1.70 115.31 123.18 1rfu h LEU 242 Ca 0.26 0.03 -0.28 0.00 -0.12 0.00 0.00 57.88 57.77 1rfu h LEU 242 Cb 0.34 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1rfu h LEU 242 CO -0.31 0.13 -1.34 0.00 -0.62 0.00 0.00 178.44 176.30 1rfu h ALA 243 N 1.62 0.24 0.24 1.25 0.00 0.61 -3.22 119.26 119.99 1rfu h ALA 243 Ca 0.43 -1.01 -0.34 0.00 0.00 0.00 0.00 54.91 53.99 1rfu h ALA 243 Cb 1.19 0.11 0.03 0.00 0.00 0.00 0.00 17.79 19.13 1rfu h ALA 243 CO -0.12 1.11 -1.50 -1.49 0.00 0.00 0.00 179.25 177.25 1rfu h TRP 244 N 0.06 0.91 0.00 0.00 -0.00 -0.42 -3.11 115.95 113.39 1rfu h TRP 244 Ca -0.16 -0.67 -0.02 0.00 -0.00 0.00 0.00 58.89 58.04 1rfu h TRP 244 Cb 1.96 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 31.08 1rfu h TRP 244 CO 0.05 1.56 -0.08 1.79 -0.00 0.00 0.00 178.44 181.75 1rfu h THR 245 N 0.14 0.72 -0.14 1.49 1.35 -1.50 0.79 112.91 115.75 1rfu h THR 245 Ca -0.26 -0.34 -0.09 0.00 -0.55 0.00 0.00 66.41 65.17 1rfu h THR 245 Cb 2.15 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 69.76 1rfu h THR 245 CO 0.26 0.08 -0.32 -0.74 -0.25 0.00 0.00 175.52 174.55 1rfu h HIS 246 N 0.00 0.31 0.15 4.73 -0.00 -1.57 0.34 115.15 119.11 1rfu h HIS 246 Ca -0.00 -0.07 -0.32 0.00 -0.00 0.00 0.00 60.37 59.99 1rfu h HIS 246 Cb 0.19 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1rfu h HIS 246 CO 0.00 0.57 -1.53 -0.22 -0.00 0.00 0.00 177.93 176.75 1rfu h LYS 247 N 0.24 0.32 -2.65 5.26 1.63 -0.20 -3.40 116.57 117.77 1rfu h LYS 247 Ca 0.03 -0.55 -0.60 0.00 -0.85 0.00 0.00 60.65 58.67 1rfu h LYS 247 Cb 0.69 0.21 -0.40 0.00 -0.60 0.00 0.00 32.23 32.12 1rfu h LYS 247 CO 0.05 1.22 -0.75 0.72 -3.45 0.00 0.00 179.45 177.24 1rfu n HIS 248 N -3.53 1.66 0.32 1.91 8.25 0.23 -4.93 115.22 119.14 1rfu n HIS 248 Ca -0.17 -3.91 0.21 0.00 -0.26 0.00 0.00 57.72 53.59 1rfu n HIS 248 Cb 1.06 -0.31 1.06 0.00 1.12 0.00 0.00 29.99 32.92 1rfu n HIS 248 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1rfu h PRO 249 N 5.20 0.00 -0.63 -0.41 0.13 -1.15 -2.81 132.00 132.33 1rfu h PRO 249 Ca 0.19 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.87 1rfu h PRO 249 Cb 0.80 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.52 1rfu h PRO 249 CO 0.60 0.01 -0.89 0.09 -0.23 0.00 0.00 178.00 177.57 1rfu n ASN 250 N -3.16 3.86 -2.83 1.44 3.02 -1.26 -4.77 115.26 111.56 1rfu n ASN 250 Ca -0.02 -3.26 -0.11 0.00 -0.03 0.00 0.00 54.58 51.15 1rfu n ASN 250 Cb 0.13 -0.38 0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1rfu n ASN 250 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rfu n ASN 251 N -0.68 0.27 -0.38 6.41 2.85 -1.06 -4.94 115.26 117.74 1rfu n ASN 251 Ca 0.33 -2.87 0.29 0.00 -0.11 0.00 0.00 54.58 52.22 1rfu n ASN 251 Cb 0.92 -0.02 0.56 0.00 1.24 0.00 0.00 39.78 42.49 1rfu n ASN 251 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1rfu h LEU 252 N 2.83 0.37 0.83 1.20 5.85 -1.86 0.32 115.31 124.85 1rfu h LEU 252 Ca -0.07 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1rfu h LEU 252 Cb 1.13 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1rfu h LEU 252 CO 0.36 -0.09 -0.44 0.50 -0.34 0.00 0.00 178.44 178.43 1rfu h LYS 253 N 0.23 -1.13 0.13 1.25 3.64 -1.95 0.09 116.57 118.84 1rfu h LYS 253 Ca 0.73 0.08 0.01 0.00 -1.27 0.00 0.00 60.65 60.20 1rfu h LYS 253 Cb 2.03 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 34.08 1rfu h LYS 253 CO -0.43 -0.75 -0.16 0.28 -2.27 0.00 0.00 179.45 176.12 1rfu h VAL 254 N -1.17 0.64 -0.53 2.00 2.07 -0.99 0.29 116.25 118.57 1rfu h VAL 254 Ca -0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1rfu h VAL 254 Cb 0.91 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 1rfu h VAL 254 CO 0.16 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.82 1rfu h ALA 255 N 0.50 0.58 -0.51 1.67 0.00 -0.54 -0.73 119.26 120.23 1rfu h ALA 255 Ca 0.01 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1rfu h ALA 255 Cb 0.33 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1rfu h ALA 255 CO -0.06 -0.33 0.25 0.00 0.00 0.00 0.00 179.25 179.10 1rfu h GLU 257 N 0.68 -0.50 0.30 0.00 5.08 0.88 0.05 114.58 121.07 1rfu h GLU 257 Ca 0.18 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1rfu h GLU 257 Cb 0.12 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1rfu h GLU 257 CO -0.02 -0.33 -0.42 0.87 -1.00 0.00 0.00 179.01 178.10 1rfu h LYS 258 N -0.52 -0.75 -0.18 2.33 1.57 -1.16 -0.19 116.57 117.67 1rfu h LYS 258 Ca 0.00 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1rfu h LYS 258 Cb 0.50 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1rfu h LYS 258 CO -0.08 -0.50 -0.20 1.15 -0.57 0.00 0.00 179.45 179.25 1rfu h THR 259 N -0.78 0.00 -0.69 -0.16 2.02 -1.33 0.74 112.91 112.72 1rfu h THR 259 Ca -0.02 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.33 1rfu h THR 259 Cb 0.73 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1rfu h THR 259 CO -0.14 0.00 0.47 0.58 0.37 0.00 0.00 175.52 176.81 1rfu h VAL 260 N -0.12 0.74 0.37 3.16 2.07 -0.92 0.13 116.25 121.69 1rfu h VAL 260 Ca 0.03 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1rfu h VAL 260 Cb 0.20 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1rfu h VAL 260 CO -0.23 0.04 -0.18 0.28 0.02 0.00 0.00 177.57 177.50 1rfu h SER 261 N 0.21 -0.43 -0.65 0.57 0.02 0.44 0.12 113.55 113.84 1rfu h SER 261 Ca 0.33 -0.12 0.14 0.00 -0.84 0.00 0.00 61.79 61.30 1rfu h SER 261 Cb 1.01 0.11 -0.11 0.00 0.14 0.00 0.00 62.40 63.55 1rfu h SER 261 CO -0.07 -0.10 0.03 0.00 -1.14 0.00 0.00 176.83 175.55 1rfu h ALA 262 N -0.27 0.68 -0.32 3.77 0.00 0.22 0.12 119.26 123.46 1rfu h ALA 262 Ca -0.05 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1rfu h ALA 262 Cb 0.52 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 1rfu h ALA 262 CO 0.08 -0.39 -0.36 1.98 0.00 0.00 0.00 179.25 180.57 1rfu h MET 263 N 0.14 -0.31 -0.17 0.00 4.05 -0.41 0.42 114.93 118.65 1rfu h MET 263 Ca 0.35 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.84 1rfu h MET 263 Cb 0.58 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.39 1rfu h MET 263 CO -0.55 -0.21 -0.23 1.25 0.23 0.00 0.00 176.91 177.41 1rfu h HIS 264 N -0.32 -0.61 0.24 1.39 6.17 0.12 0.14 115.15 122.29 1rfu h HIS 264 Ca 0.14 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.24 1rfu h HIS 264 Cb 0.56 0.29 -0.01 0.00 2.52 0.00 0.00 27.41 30.78 1rfu h HIS 264 CO -0.53 -0.31 -0.24 0.45 0.71 0.00 0.00 177.93 178.02 1rfu h HIS 265 N -0.27 -0.65 -0.95 5.26 -0.00 -0.64 0.66 115.15 118.56 1rfu h HIS 265 Ca 0.11 0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.60 1rfu h HIS 265 Cb 0.44 0.25 -0.14 0.00 -0.00 0.00 0.00 27.41 27.97 1rfu h HIS 265 CO -0.35 -0.32 -0.48 0.28 -0.00 0.00 0.00 177.93 177.06 1rfu h VAL 266 N -0.48 0.01 -0.35 2.45 2.07 -0.76 0.14 116.25 119.32 1rfu h VAL 266 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1rfu h VAL 266 Cb 0.41 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1rfu h VAL 266 CO -0.02 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.70 1rfu h LEU 267 N -0.03 0.32 -0.55 2.57 3.38 -0.43 -1.22 115.31 119.35 1rfu h LEU 267 Ca 0.24 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.30 1rfu h LEU 267 Cb 0.51 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1rfu h LEU 267 CO -0.93 0.23 0.22 1.56 0.09 0.00 0.00 178.44 179.61 1rfu h GLN 268 N 0.41 0.40 -0.92 1.13 1.08 0.26 -0.40 115.11 117.07 1rfu h GLN 268 Ca 0.14 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 1rfu h GLN 268 Cb 0.02 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.30 1rfu h GLN 268 CO -0.07 0.27 0.60 -0.09 -0.95 0.00 0.00 178.83 178.58 1rfu h ARG 269 N 0.42 1.11 0.76 1.46 2.43 -0.36 -2.31 114.38 117.89 1rfu h ARG 269 Ca 0.27 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1rfu h ARG 269 Cb 0.28 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1rfu h ARG 269 CO -0.25 0.73 -0.36 1.15 -1.51 0.00 0.00 179.97 179.72 1rfu h THR 270 N 1.14 0.00 -0.79 0.20 2.02 0.05 -2.77 112.91 112.76 1rfu h THR 270 Ca 0.37 -0.25 0.17 0.00 0.77 0.00 0.00 66.41 67.48 1rfu h THR 270 Cb 0.04 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.40 1rfu h THR 270 CO -0.13 0.00 0.53 -0.29 0.37 0.00 0.00 175.52 176.00 1rfu h ILE 271 N -1.27 0.75 0.94 3.11 6.09 -1.09 0.26 117.51 126.30 1rfu h ILE 271 Ca -0.10 -0.13 -0.05 0.00 -1.37 0.00 0.00 64.86 63.21 1rfu h ILE 271 Cb 0.78 0.34 0.01 0.00 0.47 0.00 0.00 36.82 38.42 1rfu h ILE 271 CO 0.17 0.07 -0.45 0.50 -3.07 0.00 0.00 178.15 175.37 1rfu h LYS 272 N 0.38 -1.21 -0.11 2.19 3.64 -1.35 0.13 116.57 120.24 1rfu h LYS 272 Ca 0.39 0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.88 1rfu h LYS 272 Cb 0.97 0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1rfu h LYS 272 CO -0.12 -0.81 -0.05 0.00 -2.27 0.00 0.00 179.45 176.20 1rfu h ALA 274 N 1.05 -0.47 0.00 0.00 0.00 -0.41 0.59 119.26 120.03 1rfu h ALA 274 Ca 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rfu h ALA 274 Cb 0.14 1.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rfu h ALA 274 CO -0.14 -0.90 -0.01 0.87 0.00 0.00 0.00 179.25 179.08 1rfu h LYS 275 N -0.28 0.00 -0.10 0.00 1.57 -0.52 -1.87 116.57 115.37 1rfu h LYS 275 Ca 0.15 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1rfu h LYS 275 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1rfu h LYS 275 CO -0.66 0.01 -0.15 0.00 -0.57 0.00 0.00 179.45 178.08 1rfu h ALA 276 N 1.99 0.16 0.00 3.86 0.00 0.79 -0.63 119.26 125.43 1rfu h ALA 276 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1rfu h ALA 276 Cb 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rfu h ALA 276 CO 0.00 0.05 -0.03 0.87 0.00 0.00 0.00 179.25 180.14 1rfu h LYS 277 N -0.15 0.00 0.01 0.00 1.57 -0.58 -3.22 116.57 114.20 1rfu h LYS 277 Ca 0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.47 1rfu h LYS 277 Cb 0.71 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 1rfu h LYS 277 CO 0.03 0.03 -1.97 -1.13 -0.57 0.00 0.00 179.45 175.85 1rfu n SER 278 N -3.13 0.74 0.00 0.86 3.41 -0.76 -5.08 113.62 109.66 1rfu n SER 278 Ca 0.01 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1rfu n SER 278 Cb 0.38 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1rfu n SER 278 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rfu n GLY 279 N 1.67 0.65 3.76 5.00 0.00 -0.25 -4.68 105.19 111.35 1rfu n GLY 279 Ca -0.24 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1rfu n GLY 279 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rfu s GLU 280 N -2.90 3.57 -1.45 1.61 2.02 -1.26 -2.75 118.70 117.53 1rfu s GLU 280 Ca 0.00 2.22 -0.05 0.00 0.02 0.00 0.00 54.97 57.16 1rfu s GLU 280 Cb 0.00 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.74 1rfu s GLU 280 CO 0.00 -0.84 0.41 0.41 0.02 0.00 0.00 175.26 175.26 1rfu n GLY 281 N 0.63 -0.51 2.90 -1.39 0.00 -1.26 -4.96 105.19 100.60 1rfu n GLY 281 Ca 0.07 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1rfu n GLY 281 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rfu s VAL 282 N -3.02 -0.03 -0.10 1.61 1.01 -1.11 -5.14 120.40 113.61 1rfu s VAL 282 Ca 0.25 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 1rfu s VAL 282 Cb -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1rfu s VAL 282 CO 0.31 0.05 0.63 -0.54 0.00 0.00 0.00 175.10 175.55 1rfu s LYS 283 N 0.67 4.38 0.25 2.72 -0.14 -1.26 -4.60 119.74 121.76 1rfu s LYS 283 Ca -0.05 0.73 -0.31 0.00 -1.36 0.00 0.00 55.97 54.99 1rfu s LYS 283 Cb -0.07 -3.46 -0.14 0.00 -1.68 0.00 0.00 37.83 32.48 1rfu s LYS 283 CO -0.03 0.04 1.32 -2.30 -0.76 0.00 0.00 175.35 173.62 1rfu n PRO 284 N 3.95 1.88 -2.38 -1.68 -0.02 -1.26 -4.97 135.00 130.51 1rfu n PRO 284 Ca -0.03 0.67 -0.28 0.00 -2.02 0.00 0.00 63.50 61.84 1rfu n PRO 284 Cb 0.51 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1rfu n PRO 284 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rfu s SER 285 N 0.07 5.96 0.41 2.55 1.04 -1.26 -4.85 113.70 117.63 1rfu s SER 285 Ca 0.66 0.94 0.16 0.00 0.48 0.00 0.00 55.95 58.19 1rfu s SER 285 Cb -0.67 -2.06 1.05 0.00 0.10 0.00 0.00 66.02 64.44 1rfu s SER 285 CO 0.53 -0.85 1.85 1.55 0.98 0.00 0.00 173.24 177.31 1rfu h PRO 286 N -0.06 0.43 -0.53 4.02 0.13 -1.93 0.29 132.00 134.35 1rfu h PRO 286 Ca -0.46 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1rfu h PRO 286 Cb 1.22 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1rfu h PRO 286 CO 0.61 0.28 -0.05 0.00 -0.23 0.00 0.00 178.00 178.61 1rfu h ALA 287 N 1.61 0.71 0.00 -0.56 0.00 -1.96 -2.53 119.26 116.54 1rfu h ALA 287 Ca 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rfu h ALA 287 Cb 1.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1rfu h ALA 287 CO -0.19 0.58 0.00 1.04 0.00 0.00 0.00 179.25 180.68 1rfu n GLN 288 N -4.23 0.48 -0.17 0.00 6.02 0.86 -3.14 117.38 117.20 1rfu n GLN 288 Ca 0.01 0.03 0.08 0.00 -0.01 0.00 0.00 57.00 57.12 1rfu n GLN 288 Cb 0.36 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.29 1rfu n GLN 288 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1rfu n LEU 289 N -1.22 3.02 -4.67 1.08 4.77 -0.18 -4.07 117.00 115.73 1rfu n LEU 289 Ca 0.14 -1.63 -0.43 0.00 -0.03 0.00 0.00 56.01 54.06 1rfu n LEU 289 Cb 0.18 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1rfu n LEU 289 CO 0.19 0.69 0.87 -0.62 -1.33 0.00 0.00 177.39 177.19 1rfu n GLU 290 N 0.99 1.98 -1.82 3.23 -0.58 -1.18 -4.78 120.64 118.48 1rfu n GLU 290 Ca 0.15 0.70 -0.40 0.00 -0.42 0.00 0.00 57.16 57.18 1rfu n GLU 290 Cb 0.48 -2.26 0.01 0.00 -0.57 0.00 0.00 31.44 29.10 1rfu n GLU 290 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1rfu s LEU 291 N -0.53 4.16 -1.18 -4.62 1.43 -1.26 -4.89 118.68 111.79 1rfu s LEU 291 Ca 0.59 2.92 -0.10 0.00 -1.03 0.00 0.00 54.13 56.51 1rfu s LEU 291 Cb -0.61 -3.88 0.22 0.00 0.03 0.00 0.00 46.19 41.95 1rfu s LEU 291 CO 0.59 -1.09 1.46 0.54 0.23 0.00 0.00 176.35 178.08 1rfu n ARG 292 N -0.05 3.65 0.00 1.70 1.74 -1.26 -4.71 116.66 117.73 1rfu n ARG 292 Ca 0.04 -4.05 0.00 0.00 -0.77 0.00 0.00 57.85 53.07 1rfu n ARG 292 Cb 0.41 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.05 1rfu n ARG 292 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1rfu n MET 293 N 3.79 0.00 -0.29 5.56 0.00 -1.26 -2.66 117.12 122.26 1rfu n MET 293 Ca 0.32 0.26 0.02 0.00 -0.00 0.00 0.00 57.70 58.31 1rfu n MET 293 Cb 0.39 -1.25 0.08 0.00 0.00 0.00 0.00 33.22 32.43 1rfu n MET 293 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1rfu n VAL 294 N -1.26 -0.37 0.26 1.12 0.31 -1.26 0.16 118.33 117.29 1rfu n VAL 294 Ca 0.00 1.82 0.13 0.00 -0.01 0.00 0.00 64.34 66.28 1rfu n VAL 294 Cb 0.00 -2.47 0.80 0.00 -0.91 0.00 0.00 33.84 31.26 1rfu n VAL 294 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1rfu h GLN 295 N 0.00 0.00 -0.60 5.55 7.50 -1.97 -1.43 115.11 124.16 1rfu h GLN 295 Ca 0.33 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.48 1rfu h GLN 295 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.06 1rfu h GLN 295 CO -0.80 0.00 0.00 0.43 -1.50 0.00 0.00 178.83 176.96 1rfu n SER 296 N -4.10 3.24 -0.29 1.46 7.64 0.42 -4.60 113.62 117.40 1rfu n SER 296 Ca -0.02 -2.00 -0.10 0.00 1.01 0.00 0.00 58.87 57.76 1rfu n SER 296 Cb 0.13 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 62.85 1rfu n SER 296 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1rfu h LYS 297 N 3.56 -0.09 -0.73 1.43 3.64 -0.95 -0.15 116.57 123.28 1rfu h LYS 297 Ca 0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1rfu h LYS 297 Cb 0.81 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.59 1rfu h LYS 297 CO 0.00 -0.06 0.40 0.87 -2.27 0.00 0.00 179.45 178.38 1rfu h LYS 298 N -0.10 0.67 -0.12 1.90 1.79 -1.84 -1.32 116.57 117.55 1rfu h LYS 298 Ca 0.11 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.49 1rfu h LYS 298 Cb 0.39 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1rfu h LYS 298 CO -0.71 0.44 -0.16 -0.44 -1.08 0.00 0.00 179.45 177.50 1rfu h ASP 299 N 0.69 0.18 -0.40 0.86 3.45 -1.51 -2.16 116.42 117.52 1rfu h ASP 299 Ca 0.35 -0.04 -0.15 0.00 0.43 0.00 0.00 57.03 57.62 1rfu h ASP 299 Cb 0.31 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1rfu h ASP 299 CO -0.24 0.36 -0.32 0.40 -1.57 0.00 0.00 179.24 177.87 1rfu h ILE 300 N 0.18 1.27 -0.51 0.35 2.04 0.04 -0.81 117.51 120.09 1rfu h ILE 300 Ca 0.04 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 1rfu h ILE 300 Cb 0.39 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1rfu h ILE 300 CO 0.02 0.50 0.25 -0.33 0.00 0.00 0.00 178.15 178.60 1rfu h GLU 301 N 0.75 0.72 -1.92 2.37 5.08 -0.95 -3.39 114.58 117.25 1rfu h GLU 301 Ca 0.07 -0.10 -0.41 0.00 -1.00 0.00 0.00 59.36 57.92 1rfu h GLU 301 Cb 0.91 -0.13 -0.31 0.00 0.50 0.00 0.00 28.75 29.72 1rfu h GLU 301 CO 0.08 0.60 -0.76 -1.12 -1.00 0.00 0.00 179.01 176.81 1rfu s SER 302 N -5.87 0.75 -0.05 1.42 0.01 -0.85 -5.06 113.70 104.04 1rfu s SER 302 Ca -0.13 -2.18 -0.30 0.00 1.31 0.00 0.00 55.95 54.65 1rfu s SER 302 Cb 0.12 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.77 1rfu s SER 302 CO 0.76 -0.18 1.15 -2.16 0.41 0.00 0.00 173.24 173.22 1rfu s PRO 303 N 0.79 4.39 0.47 12.44 0.04 -0.31 -4.67 135.00 148.15 1rfu s PRO 303 Ca 0.26 1.61 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 1rfu s PRO 303 Cb -0.05 -3.52 -0.07 0.00 0.04 0.00 0.00 34.50 30.89 1rfu s PRO 303 CO -0.09 -0.37 1.26 -2.00 0.04 0.00 0.00 177.00 175.84 1rfu s GLU 304 N 1.97 3.64 -0.48 4.56 2.56 -1.26 -4.82 118.70 124.87 1rfu s GLU 304 Ca 0.54 2.03 -0.29 0.00 0.00 0.00 0.00 54.97 57.25 1rfu s GLU 304 Cb -0.24 -2.47 0.03 0.00 2.00 0.00 0.00 34.13 33.45 1rfu s GLU 304 CO 0.22 -0.72 1.20 0.42 -0.56 0.00 0.00 175.26 175.83 1rfu s ILE 305 N -1.39 4.12 -0.90 -3.70 1.09 -1.26 -4.63 121.20 114.53 1rfu s ILE 305 Ca 0.64 1.12 0.08 0.00 -1.10 0.00 0.00 60.65 61.39 1rfu s ILE 305 Cb -0.35 -4.54 0.15 0.00 -1.06 0.00 0.00 42.46 36.65 1rfu s ILE 305 CO 0.43 -1.01 0.97 1.33 -0.10 0.00 0.00 174.94 176.56 1rfu n VAL 306 N 6.89 0.47 -4.04 2.92 0.24 -1.26 -4.94 118.33 118.61 1rfu n VAL 306 Ca 0.13 -0.73 -0.19 0.00 -2.04 0.00 0.00 64.34 61.50 1rfu n VAL 306 Cb 0.49 0.86 -0.16 0.00 -1.47 0.00 0.00 33.84 33.56 1rfu n VAL 306 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1rfu s VAL 307 N -0.85 0.38 -0.30 3.34 -7.23 -1.26 -5.05 120.40 109.43 1rfu s VAL 307 Ca 0.14 -0.02 -0.08 0.00 -1.81 0.00 0.00 61.98 60.21 1rfu s VAL 307 Cb 0.08 -0.45 -0.01 0.00 0.56 0.00 0.00 36.38 36.57 1rfu s VAL 307 CO 0.11 0.20 0.11 -1.10 -0.31 0.00 0.00 175.10 174.12 1rfu s GLN 308 N 1.05 3.31 0.27 4.82 -1.52 -1.26 -4.85 119.66 121.48 1rfu s GLN 308 Ca -0.09 -0.72 -0.29 0.00 -1.95 0.00 0.00 55.36 52.30 1rfu s GLN 308 Cb -0.14 -3.46 -0.09 0.00 -0.22 0.00 0.00 33.01 29.10 1rfu s GLN 308 CO -0.01 -0.39 1.20 0.00 -0.25 0.00 0.00 175.29 175.84 1rfu s ALA 309 N 1.58 3.45 -0.14 6.09 0.00 -1.26 -4.77 121.76 126.71 1rfu s ALA 309 Ca 0.04 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 1rfu s ALA 309 Cb -0.17 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1rfu s ALA 309 CO 0.05 -0.37 0.23 0.95 0.00 0.00 0.00 175.76 176.62 1rfu s THR 310 N -0.79 5.34 -0.86 0.00 -4.23 -0.10 -4.95 115.64 110.05 1rfu s THR 310 Ca 0.49 0.42 -0.18 0.00 -1.18 0.00 0.00 61.69 61.24 1rfu s THR 310 Cb -0.35 -3.55 0.15 0.00 1.34 0.00 0.00 72.50 70.09 1rfu s THR 310 CO 0.43 0.48 0.99 -0.69 -0.54 0.00 0.00 174.62 175.29 1rfu s VAL 311 N -0.15 4.95 -1.54 2.29 1.01 -1.26 -0.84 120.40 124.86 1rfu s VAL 311 Ca 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1rfu s VAL 311 Cb -0.13 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.58 1rfu s VAL 311 CO 0.04 -1.35 0.38 0.18 0.00 0.00 0.00 175.10 174.36