#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 0.92 -2.76 3.17 4.07 -1.26 -4.73 120.64 120.04 1rfu n GLU 2 Ca 0.00 -0.46 -0.23 0.00 -0.06 0.00 0.00 57.16 56.40 1rfu n GLU 2 Cb 0.00 -1.43 0.02 0.00 -0.06 0.00 0.00 31.44 29.98 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 -2.60 2.91 -1.11 5.31 2.02 -1.26 -5.01 118.70 118.96 1rfu s GLU 3 Ca 0.12 -0.43 -0.17 0.00 0.02 0.00 0.00 54.97 54.51 1rfu s GLU 3 Cb 0.16 -2.47 0.12 0.00 0.10 0.00 0.00 34.13 32.04 1rfu s GLU 3 CO 0.67 -0.48 1.40 -1.21 0.02 0.00 0.00 175.26 175.66 1rfu s GLU 4 N -4.71 3.85 -0.29 1.61 0.41 -1.26 -4.97 118.70 113.34 1rfu s GLU 4 Ca 0.52 -2.01 -0.08 0.00 -0.41 0.00 0.00 54.97 52.99 1rfu s GLU 4 Cb -0.10 -5.15 -0.00 0.00 -1.78 0.00 0.00 34.13 27.10 1rfu s GLU 4 CO 0.40 -1.92 0.10 0.00 -0.49 0.00 0.00 175.26 173.34 1rfu s ARG 6 N 1.55 3.35 -0.10 0.00 3.52 -1.26 -0.55 118.95 125.47 1rfu s ARG 6 Ca 0.04 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.40 1rfu s ARG 6 Cb -0.17 -3.06 0.02 0.00 -1.56 0.00 0.00 34.95 30.18 1rfu s ARG 6 CO 0.04 0.70 -0.11 0.08 -0.81 0.00 0.00 175.30 175.19 1rfu s VAL 7 N -0.82 1.18 -0.75 7.11 1.01 -0.04 -0.95 120.40 127.14 1rfu s VAL 7 Ca 0.13 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1rfu s VAL 7 Cb -0.12 -1.13 0.14 0.00 0.00 0.00 0.00 36.38 35.27 1rfu s VAL 7 CO 0.03 0.38 0.83 -0.22 0.00 0.00 0.00 175.10 176.13 1rfu s LEU 8 N 1.28 5.70 -0.19 3.92 2.96 -1.05 -0.80 118.68 130.50 1rfu s LEU 8 Ca -0.02 -1.96 -0.20 0.00 -0.22 0.00 0.00 54.13 51.73 1rfu s LEU 8 Cb -0.14 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 1rfu s LEU 8 CO -0.04 -0.95 0.57 -0.55 -1.32 0.00 0.00 176.35 174.06 1rfu s SER 9 N 3.22 6.64 -0.36 3.68 0.15 0.12 -1.69 113.70 125.46 1rfu s SER 9 Ca 0.19 0.77 0.02 0.00 0.70 0.00 0.00 55.95 57.63 1rfu s SER 9 Cb -0.15 -2.32 0.10 0.00 -1.71 0.00 0.00 66.02 61.94 1rfu s SER 9 CO -0.02 -0.20 0.09 -0.63 1.20 0.00 0.00 173.24 173.67 1rfu s ILE 10 N 1.63 2.57 0.33 6.45 1.01 0.28 -1.21 121.20 132.26 1rfu s ILE 10 Ca 0.27 -2.24 -0.07 0.00 0.00 0.00 0.00 60.65 58.61 1rfu s ILE 10 Cb -0.16 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.50 1rfu s ILE 10 CO 0.10 -0.61 0.56 0.00 0.00 0.00 0.00 174.94 175.00 1rfu n GLN 11 N 4.36 0.80 -1.80 2.79 6.02 -0.78 -1.11 117.38 127.67 1rfu n GLN 11 Ca 0.02 -2.21 -0.34 0.00 -0.01 0.00 0.00 57.00 54.45 1rfu n GLN 11 Cb 0.42 2.40 0.05 0.00 1.02 0.00 0.00 30.24 34.13 1rfu n GLN 11 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1rfu s SER 12 N -2.86 5.02 -0.04 1.08 1.04 -1.23 -0.75 113.70 115.97 1rfu s SER 12 Ca 0.20 2.15 0.04 0.00 0.48 0.00 0.00 55.95 58.81 1rfu s SER 12 Cb -0.03 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.52 1rfu s SER 12 CO 0.14 -1.70 -0.14 -2.28 0.98 0.00 0.00 173.24 170.25 1rfu s HIS 13 N -2.09 1.38 -0.03 5.02 2.46 0.35 0.13 115.29 122.51 1rfu s HIS 13 Ca 0.71 -0.38 0.06 0.00 0.47 0.00 0.00 55.06 55.92 1rfu s HIS 13 Cb -0.24 -0.95 -0.01 0.00 -0.13 0.00 0.00 32.58 31.25 1rfu s HIS 13 CO 0.39 -0.14 -0.22 0.14 -2.47 0.00 0.00 174.74 172.45 1rfu s VAL 14 N 0.10 1.75 0.09 0.89 -7.23 -1.26 -0.84 120.40 113.90 1rfu s VAL 14 Ca -0.03 -0.92 -0.28 0.00 -1.81 0.00 0.00 61.98 58.94 1rfu s VAL 14 Cb -0.10 -1.47 -0.15 0.00 0.56 0.00 0.00 36.38 35.22 1rfu s VAL 14 CO 0.01 0.49 1.67 0.58 -0.31 0.00 0.00 175.10 177.55 1rfu h VAL 15 N 4.88 0.60 -3.40 1.32 2.07 -0.59 -3.42 116.25 117.71 1rfu h VAL 15 Ca -0.36 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.49 1rfu h VAL 15 Cb 1.16 0.60 -0.15 0.00 -1.52 0.00 0.00 31.29 31.37 1rfu h VAL 15 CO 0.47 0.00 -0.64 -0.60 0.02 0.00 0.00 177.57 176.82 1rfu s ARG 16 N -6.11 2.85 0.00 1.57 3.52 -0.40 -5.04 118.95 115.35 1rfu s ARG 16 Ca -0.16 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1rfu s ARG 16 Cb 0.05 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.74 1rfu s ARG 16 CO 0.64 0.66 0.00 0.41 -0.81 0.00 0.00 175.30 176.20 1rfu n GLY 17 N 1.84 0.70 3.02 8.12 0.00 -1.26 -4.54 105.19 113.07 1rfu n GLY 17 Ca -0.17 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.73 3.46 -0.07 1.61 1.51 -1.26 -4.80 117.35 116.08 1rfu s TYR 18 Ca 0.00 -2.69 -0.29 0.00 -1.01 0.00 0.00 57.07 53.08 1rfu s TYR 18 Cb 0.00 -2.51 0.10 0.00 -0.11 0.00 0.00 41.96 39.44 1rfu s TYR 18 CO 0.00 -0.92 0.84 0.54 -1.11 0.00 0.00 175.55 174.90 1rfu s VAL 19 N 1.02 0.00 0.00 0.71 0.11 -1.26 -4.38 120.40 116.60 1rfu s VAL 19 Ca 0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1rfu s VAL 19 Cb -0.19 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1rfu s VAL 19 CO -0.08 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 1rfu n GLY 20 N 0.49 1.00 0.28 6.54 0.00 -1.26 -2.50 105.19 109.73 1rfu n GLY 20 Ca -0.13 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 8.94 0.00 -0.40 1.61 -0.26 0.91 -0.99 115.58 125.40 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 0.26 0.03 -1.06 0.00 0.00 177.43 176.66 1rfu h ARG 22 N 0.00 0.49 0.00 0.81 2.47 -1.63 0.24 114.38 116.76 1rfu h ARG 22 Ca 0.02 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1rfu h ARG 22 Cb 0.10 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1rfu h ARG 22 CO -0.00 0.33 -1.14 0.00 0.56 0.00 0.00 179.97 179.72 1rfu n ALA 23 N -2.48 2.86 -0.05 0.04 0.00 -0.43 -4.39 120.51 116.06 1rfu n ALA 23 Ca 0.03 -0.33 -0.15 0.00 0.00 0.00 0.00 53.44 52.99 1rfu n ALA 23 Cb 0.08 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.06 1.29 -0.06 0.00 0.00 -0.84 -4.43 120.51 114.42 1rfu n ALA 24 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 53.44 52.44 1rfu n ALA 24 Cb 0.51 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 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 0.02 1.19 0.33 0.00 2.02 -0.76 -2.95 112.91 112.77 1rfu h THR 25 Ca -0.45 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1rfu h THR 25 Cb 2.04 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 1rfu h THR 25 CO 0.03 0.19 -0.37 0.15 0.37 0.00 0.00 175.52 175.90 1rfu h PHE 26 N 0.12 -0.99 -0.21 3.16 3.57 -1.80 -0.70 116.94 120.09 1rfu h PHE 26 Ca 0.06 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1rfu h PHE 26 Cb 0.24 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.31 1rfu h PHE 26 CO 0.00 -0.51 -0.51 -1.35 -2.23 0.00 0.00 178.31 173.72 1rfu h PRO 27 N -0.73 -0.49 -0.79 6.41 0.11 -1.78 0.51 132.00 135.23 1rfu h PRO 27 Ca -0.02 0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.23 1rfu h PRO 27 Cb 0.67 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.84 1rfu h PRO 27 CO -0.09 -0.33 0.52 -0.07 -0.21 0.00 0.00 178.00 177.82 1rfu h LEU 28 N -0.51 0.62 0.09 2.35 3.38 -1.47 -0.33 115.31 119.45 1rfu h LEU 28 Ca 0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rfu h LEU 28 Cb 0.65 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1rfu h LEU 28 CO -0.47 0.36 -0.04 1.56 0.09 0.00 0.00 178.44 179.94 1rfu h GLN 29 N 0.68 -0.11 0.00 1.13 4.20 0.66 0.65 115.11 122.31 1rfu h GLN 29 Ca 0.37 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1rfu h GLN 29 Cb 0.52 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1rfu h GLN 29 CO -0.14 0.39 0.00 1.33 -0.67 0.00 0.00 178.83 179.73 1rfu n VAL 30 N -4.88 1.23 0.95 -0.54 0.24 0.16 -0.94 118.33 114.55 1rfu n VAL 30 Ca -0.08 0.43 0.12 0.00 -2.04 0.00 0.00 64.34 62.76 1rfu n VAL 30 Cb 0.28 -1.35 0.21 0.00 -1.47 0.00 0.00 33.84 31.51 1rfu n VAL 30 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1rfu n LEU 31 N -1.86 0.55 0.00 1.34 4.77 -0.16 -4.85 117.00 116.80 1rfu n LEU 31 Ca 0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1rfu n LEU 31 Cb 0.11 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1rfu n LEU 31 CO 0.11 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1rfu n GLY 32 N 1.48 1.23 3.79 -0.72 0.00 -0.11 0.11 105.19 110.98 1rfu n GLY 32 Ca 0.05 0.00 -0.36 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 -2.07 3.61 -0.26 1.61 0.40 0.16 -4.53 117.98 116.90 1rfu s PHE 33 Ca 0.00 1.70 -0.18 0.00 -0.60 0.00 0.00 56.93 57.85 1rfu s PHE 33 Cb 0.00 -2.87 -0.03 0.00 0.51 0.00 0.00 43.02 40.64 1rfu s PHE 33 CO 0.00 0.17 0.52 -2.00 0.70 0.00 0.00 175.22 174.61 1rfu s GLU 34 N -2.26 4.06 -0.06 0.44 2.56 0.29 -4.17 118.70 119.56 1rfu s GLU 34 Ca 0.52 0.33 -0.02 0.00 0.00 0.00 0.00 54.97 55.80 1rfu s GLU 34 Cb -0.17 -3.66 -0.04 0.00 2.00 0.00 0.00 34.13 32.27 1rfu s GLU 34 CO 0.21 -0.36 0.04 0.08 -0.56 0.00 0.00 175.26 174.67 1rfu s VAL 35 N 2.33 4.57 -0.26 3.70 1.01 -1.26 -0.86 120.40 129.62 1rfu s VAL 35 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1rfu s VAL 35 Cb -0.16 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.28 1rfu s VAL 35 CO 0.09 0.52 -0.07 -1.81 0.00 0.00 0.00 175.10 173.83 1rfu s ASP 36 N -1.19 4.43 -0.18 3.32 1.11 0.02 -4.94 116.67 119.23 1rfu s ASP 36 Ca 0.17 -1.16 -0.05 0.00 0.18 0.00 0.00 52.55 51.68 1rfu s ASP 36 Cb -0.12 -1.62 -0.03 0.00 1.07 0.00 0.00 42.92 42.22 1rfu s ASP 36 CO 0.06 -0.18 0.01 0.00 1.18 0.00 0.00 175.17 176.24 1rfu s ALA 37 N 1.22 3.12 -0.14 5.23 0.00 -1.26 -0.70 121.76 129.23 1rfu s ALA 37 Ca -0.04 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1rfu s ALA 37 Cb -0.18 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.19 1rfu s ALA 37 CO -0.04 0.04 -0.20 0.08 0.00 0.00 0.00 175.76 175.64 1rfu s VAL 38 N 0.65 2.28 -0.43 0.00 1.01 -0.35 -5.00 120.40 118.56 1rfu s VAL 38 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1rfu s VAL 38 Cb -0.14 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1rfu s VAL 38 CO 0.02 0.54 0.39 0.20 0.00 0.00 0.00 175.10 176.25 1rfu s ASN 39 N 0.80 6.16 0.54 3.32 0.01 -1.25 -1.87 114.94 122.64 1rfu s ASN 39 Ca -0.07 -0.90 0.22 0.00 -0.71 0.00 0.00 52.86 51.40 1rfu s ASN 39 Cb -0.15 -2.20 1.45 0.00 0.41 0.00 0.00 41.25 40.76 1rfu s ASN 39 CO -0.01 -0.57 2.16 0.77 -1.51 0.00 0.00 177.10 177.94 1rfu h SER 40 N 8.72 0.00 -5.07 -1.22 4.64 -1.23 -3.45 113.55 115.94 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 1.11 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.07 1rfu h SER 40 CO 0.80 0.04 -0.05 0.68 -0.87 0.00 0.00 176.83 177.43 1rfu s VAL 41 N -4.75 0.06 -0.26 0.95 -7.23 -1.26 -1.38 120.40 106.54 1rfu s VAL 41 Ca -0.05 -0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 1rfu s VAL 41 Cb 0.16 -1.14 0.08 0.00 0.56 0.00 0.00 36.38 36.04 1rfu s VAL 41 CO 0.62 -0.29 0.07 -1.58 -0.31 0.00 0.00 175.10 173.60 1rfu s GLN 42 N -3.72 0.72 0.41 4.82 0.74 0.29 -0.49 119.66 122.42 1rfu s GLN 42 Ca 0.02 -0.78 0.07 0.00 0.05 0.00 0.00 55.36 54.73 1rfu s GLN 42 Cb 0.02 -2.02 -0.05 0.00 1.10 0.00 0.00 33.01 32.06 1rfu s GLN 42 CO -0.12 -0.83 0.20 -0.06 -0.55 0.00 0.00 175.29 173.93 1rfu s PHE 43 N 1.73 2.62 0.07 1.67 0.08 -0.02 -0.35 117.98 123.78 1rfu s PHE 43 Ca 0.04 -0.57 -0.19 0.00 0.12 0.00 0.00 56.93 56.33 1rfu s PHE 43 Cb -0.17 -1.97 -0.10 0.00 -0.57 0.00 0.00 43.02 40.21 1rfu s PHE 43 CO -0.18 0.17 1.47 0.66 -0.10 0.00 0.00 175.22 177.23 1rfu h SER 44 N 1.40 0.41 -1.18 1.36 4.64 -1.08 0.29 113.55 119.39 1rfu h SER 44 Ca -0.43 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.53 1rfu h SER 44 Cb 1.25 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1rfu h SER 44 CO 0.69 0.68 0.00 -0.46 -0.87 0.00 0.00 176.83 176.87 1rfu n ASN 45 N -4.61 0.00 -4.85 4.97 0.23 -1.26 -1.27 115.26 108.47 1rfu n ASN 45 Ca -0.04 -0.88 -0.34 0.00 -0.53 0.00 0.00 54.58 52.79 1rfu n ASN 45 Cb 0.28 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.92 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 -6.00 3.55 -0.93 -2.53 -3.43 -1.26 -4.88 115.29 99.80 1rfu s HIS 46 Ca 0.00 1.07 0.00 0.00 -0.80 0.00 0.00 55.06 55.33 1rfu s HIS 46 Cb 0.00 -2.39 0.00 0.00 -1.43 0.00 0.00 32.58 28.76 1rfu s HIS 46 CO 0.00 0.35 0.62 0.25 -2.00 0.00 0.00 174.74 173.96 1rfu n THR 47 N 0.47 0.75 0.26 -5.38 -2.24 -1.26 -1.12 114.28 105.76 1rfu n THR 47 Ca -0.03 0.29 0.14 0.00 -2.27 0.00 0.00 64.05 62.18 1rfu n THR 47 Cb 0.52 -1.29 0.64 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.92 3.38 0.00 -1.94 -3.44 103.07 99.16 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 0.39 -0.19 0.00 0.00 0.00 176.54 176.74 1rfu s TYR 49 N -3.76 2.92 0.22 5.60 2.02 -0.28 -4.91 117.35 119.17 1rfu s TYR 49 Ca 0.00 1.54 -0.08 0.00 -0.37 0.00 0.00 57.07 58.17 1rfu s TYR 49 Cb 0.10 -3.08 0.34 0.00 -0.40 0.00 0.00 41.96 38.91 1rfu s TYR 49 CO 0.57 -1.10 1.74 0.77 -1.57 0.00 0.00 175.55 175.96 1rfu h SER 50 N 0.98 0.27 -3.53 2.29 0.02 -1.89 -3.41 113.55 108.27 1rfu h SER 50 Ca -0.48 0.08 -0.62 0.00 -0.84 0.00 0.00 61.79 59.93 1rfu h SER 50 Cb 1.23 0.06 -0.19 0.00 0.14 0.00 0.00 62.40 63.63 1rfu h SER 50 CO 0.58 0.14 -0.82 -1.00 -1.14 0.00 0.00 176.83 174.59 1rfu s HIS 51 N -6.07 2.13 -0.28 3.45 3.76 -1.26 -5.13 115.29 111.89 1rfu s HIS 51 Ca -0.13 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.22 1rfu s HIS 51 Cb 0.18 -1.09 0.09 0.00 1.11 0.00 0.00 32.58 32.87 1rfu s HIS 51 CO 0.75 0.39 0.74 1.67 -0.85 0.00 0.00 174.74 177.44 1rfu s TRP 52 N -1.58 -0.97 0.24 1.40 1.48 -1.26 -4.87 118.94 113.38 1rfu s TRP 52 Ca 0.16 1.97 0.05 0.00 -1.06 0.00 0.00 56.10 57.22 1rfu s TRP 52 Cb -0.08 0.56 -0.05 0.00 -1.16 0.00 0.00 33.47 32.74 1rfu s TRP 52 CO 0.08 -0.48 -0.04 0.15 -4.06 0.00 0.00 176.95 172.60 1rfu s LYS 53 N 1.46 1.39 0.00 3.25 1.02 -1.26 -4.98 119.74 120.62 1rfu s LYS 53 Ca -0.09 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.21 1rfu s LYS 53 Cb -0.05 -0.84 0.00 0.00 -0.52 0.00 0.00 37.83 36.43 1rfu s LYS 53 CO -0.17 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 1rfu n GLY 54 N -0.46 -0.92 3.37 -3.33 0.00 -1.26 -0.46 105.19 102.13 1rfu n GLY 54 Ca -0.06 -1.28 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.00 1.40 0.10 1.61 0.00 0.53 -4.95 119.66 116.35 1rfu s GLN 55 Ca 0.00 -1.69 0.04 0.00 -0.00 0.00 0.00 55.36 53.71 1rfu s GLN 55 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 33.01 32.05 1rfu s GLN 55 CO 0.00 0.02 -0.11 0.08 0.00 0.00 0.00 175.29 175.28 1rfu s VAL 56 N -3.17 1.02 0.05 3.63 1.01 -1.26 -0.55 120.40 121.13 1rfu s VAL 56 Ca 0.27 -1.67 0.02 0.00 0.00 0.00 0.00 61.98 60.60 1rfu s VAL 56 Cb 0.04 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1rfu s VAL 56 CO 0.09 -0.54 0.07 -0.76 0.00 0.00 0.00 175.10 173.95 1rfu s LEU 57 N -2.48 3.78 0.37 3.92 1.02 -0.48 -4.98 118.68 119.84 1rfu s LEU 57 Ca 0.07 0.03 0.08 0.00 0.02 0.00 0.00 54.13 54.33 1rfu s LEU 57 Cb -0.03 -2.36 -0.06 0.00 0.02 0.00 0.00 46.19 43.76 1rfu s LEU 57 CO 0.01 0.21 0.03 0.54 0.02 0.00 0.00 176.35 177.16 1rfu s ASN 58 N -2.10 4.11 0.39 2.29 2.20 -1.26 -4.79 114.94 115.78 1rfu s ASN 58 Ca 0.26 -1.11 0.25 0.00 -0.94 0.00 0.00 52.86 51.32 1rfu s ASN 58 Cb -0.12 -0.47 1.39 0.00 -2.00 0.00 0.00 41.25 40.05 1rfu s ASN 58 CO 0.18 -0.34 1.57 -1.54 -2.94 0.00 0.00 177.10 174.02 1rfu n SER 59 N -1.00 0.30 -0.06 3.54 3.41 -1.26 0.25 113.62 118.79 1rfu n SER 59 Ca -0.04 1.56 -0.14 0.00 -0.26 0.00 0.00 58.87 59.99 1rfu n SER 59 Cb 0.64 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.62 -0.39 4.04 3.45 -1.96 -0.42 116.42 121.76 1rfu h ASP 60 Ca 0.86 -0.53 -0.03 0.00 0.43 0.00 0.00 57.03 57.76 1rfu h ASP 60 Cb 2.44 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 41.02 1rfu h ASP 60 CO -0.66 1.03 0.16 -0.33 -1.57 0.00 0.00 179.24 177.87 1rfu h GLU 61 N 0.22 0.64 -0.20 3.56 5.08 -0.58 -0.30 114.58 123.00 1rfu h GLU 61 Ca 0.01 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 1rfu h GLU 61 Cb 0.91 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1rfu h GLU 61 CO 0.07 0.54 -0.64 1.25 -1.00 0.00 0.00 179.01 179.24 1rfu h LEU 62 N 0.63 0.81 -0.07 1.33 5.85 -1.10 -3.11 115.31 119.66 1rfu h LEU 62 Ca 0.15 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1rfu h LEU 62 Cb 0.16 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1rfu h LEU 62 CO -0.01 1.25 -0.01 -0.61 -0.34 0.00 0.00 178.44 178.71 1rfu h GLN 63 N 0.52 0.00 -0.61 1.25 5.75 -0.34 -1.71 115.11 119.98 1rfu h GLN 63 Ca -0.01 -0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.59 1rfu h GLN 63 Cb 1.23 -0.00 -0.12 0.00 1.07 0.00 0.00 27.48 29.67 1rfu h GLN 63 CO 0.13 0.00 -0.35 0.93 -2.65 0.00 0.00 178.83 176.89 1rfu h GLU 64 N 0.00 -0.16 0.90 1.69 5.08 -1.07 0.60 114.58 121.63 1rfu h GLU 64 Ca 0.03 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1rfu h GLU 64 Cb 0.05 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1rfu h GLU 64 CO -0.07 -0.10 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.34 1rfu h LEU 65 N -0.16 -1.02 -0.77 1.33 3.38 -1.43 0.10 115.31 116.73 1rfu h LEU 65 Ca 0.23 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1rfu h LEU 65 Cb 0.56 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1rfu h LEU 65 CO -0.70 -0.72 0.46 0.22 0.09 0.00 0.00 178.44 177.80 1rfu h TYR 66 N -1.24 0.86 -0.61 1.13 3.20 -0.99 0.17 116.97 119.48 1rfu h TYR 66 Ca -0.12 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.85 1rfu h TYR 66 Cb 0.93 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 1rfu h TYR 66 CO -0.01 0.43 0.29 -0.44 -1.64 0.00 0.00 178.16 176.79 1rfu h ASP 67 N 0.85 0.38 0.06 -2.11 5.19 0.36 1.40 116.42 122.54 1rfu h ASP 67 Ca 0.34 0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.83 1rfu h ASP 67 Cb 0.17 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.63 1rfu h ASP 67 CO -0.17 0.24 -0.25 1.23 -3.12 0.00 0.00 179.24 177.16 1rfu h GLY 68 N 0.53 -0.42 0.92 2.75 0.00 0.19 0.83 103.07 107.86 1rfu h GLY 68 Ca 0.29 0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.94 1rfu h GLY 68 CO -0.23 -0.21 0.34 1.41 0.00 0.00 0.00 176.54 177.85 1rfu h LEU 69 N -0.42 0.57 0.26 3.11 3.38 0.16 -2.55 115.31 119.82 1rfu h LEU 69 Ca 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1rfu h LEU 69 Cb 0.47 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1rfu h LEU 69 CO -0.18 0.41 -0.52 0.50 0.09 0.00 0.00 178.44 178.73 1rfu h LYS 70 N 0.69 -0.82 -1.17 1.13 1.63 0.29 -1.71 116.57 116.62 1rfu h LYS 70 Ca 0.21 0.06 0.33 0.00 -0.85 0.00 0.00 60.65 60.40 1rfu h LYS 70 Cb -0.02 0.19 -0.08 0.00 -0.60 0.00 0.00 32.23 31.72 1rfu h LYS 70 CO -0.08 -0.55 0.79 -0.07 -3.45 0.00 0.00 179.45 176.10 1rfu h LEU 71 N -0.85 0.23 -1.01 5.20 3.38 0.96 0.32 115.31 123.55 1rfu h LEU 71 Ca -0.03 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1rfu h LEU 71 Cb 0.80 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1rfu h LEU 71 CO -0.21 0.01 -0.12 0.59 0.09 0.00 0.00 178.44 178.80 1rfu n ASN 72 N -4.44 1.69 -2.61 -0.43 3.02 -0.75 -4.96 115.26 106.78 1rfu n ASN 72 Ca 0.28 -1.42 -0.16 0.00 -0.03 0.00 0.00 54.58 53.25 1rfu n ASN 72 Cb 1.14 0.09 0.05 0.00 -0.61 0.00 0.00 39.78 40.46 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 0.13 -1.95 -1.17 3.10 8.25 0.11 -4.91 115.22 118.78 1rfu n HIS 73 Ca 0.15 0.69 0.09 0.00 -0.26 0.00 0.00 57.72 58.39 1rfu n HIS 73 Cb 0.41 -3.76 0.14 0.00 1.12 0.00 0.00 29.99 27.90 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 -4.17 1.84 -2.52 1.59 0.24 -0.96 -4.86 118.33 109.50 1rfu n VAL 74 Ca -0.00 -2.28 -0.42 0.00 -2.04 0.00 0.00 64.34 59.59 1rfu n VAL 74 Cb 0.54 -0.20 0.01 0.00 -1.47 0.00 0.00 33.84 32.71 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 -1.34 5.77 -3.61 -1.34 6.94 -1.26 -4.86 115.26 115.56 1rfu n ASN 75 Ca 0.16 -3.22 -0.24 0.00 -0.02 0.00 0.00 54.58 51.25 1rfu n ASN 75 Cb 0.65 -1.40 -0.17 0.00 -2.36 0.00 0.00 39.78 36.51 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 -0.84 0.05 0.39 -3.83 -0.21 -1.26 -5.02 119.66 108.94 1rfu s GLN 76 Ca 0.38 0.03 0.06 0.00 0.02 0.00 0.00 55.36 55.85 1rfu s GLN 76 Cb 0.09 -1.53 -0.07 0.00 1.00 0.00 0.00 33.01 32.50 1rfu s GLN 76 CO 0.03 -0.61 0.02 0.71 -2.12 0.00 0.00 175.29 173.32 1rfu s TYR 77 N 2.16 2.36 -0.04 0.91 1.51 -1.26 -4.92 117.35 118.07 1rfu s TYR 77 Ca 0.03 -0.75 0.06 0.00 -1.01 0.00 0.00 57.07 55.40 1rfu s TYR 77 Cb -0.15 -1.64 -0.09 0.00 -0.11 0.00 0.00 41.96 39.96 1rfu s TYR 77 CO -0.08 0.33 0.08 -0.25 -1.11 0.00 0.00 175.55 174.51 1rfu n ASP 78 N -0.90 3.41 -4.24 2.29 8.00 -0.13 -4.81 116.55 120.18 1rfu n ASP 78 Ca -0.04 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.32 1rfu n ASP 78 Cb 0.67 0.96 -0.10 0.00 -0.02 0.00 0.00 41.12 42.63 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 -2.31 1.26 -0.08 1.24 1.51 -0.84 -1.87 117.35 116.28 1rfu s TYR 79 Ca -0.03 -1.28 -0.04 0.00 -1.01 0.00 0.00 57.07 54.71 1rfu s TYR 79 Cb 0.03 -0.67 0.04 0.00 -0.11 0.00 0.00 41.96 41.24 1rfu s TYR 79 CO 0.28 -0.50 0.17 0.08 -1.11 0.00 0.00 175.55 174.46 1rfu s VAL 80 N -3.99 -0.04 -0.10 0.71 1.01 -0.25 -2.54 120.40 115.21 1rfu s VAL 80 Ca 0.37 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1rfu s VAL 80 Cb 0.07 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.20 1rfu s VAL 80 CO 0.11 0.06 -0.11 -0.22 0.00 0.00 0.00 175.10 174.94 1rfu s LEU 81 N 1.07 1.47 0.05 3.92 2.96 -0.68 -0.13 118.68 127.34 1rfu s LEU 81 Ca -0.08 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.54 1rfu s LEU 81 Cb -0.10 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.65 1rfu s LEU 81 CO -0.06 -0.04 -0.16 0.42 -1.32 0.00 0.00 176.35 175.19 1rfu s THR 82 N 1.24 1.27 0.00 3.68 -4.23 -1.08 0.99 115.64 117.52 1rfu s THR 82 Ca -0.03 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1rfu s THR 82 Cb -0.14 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1rfu s THR 82 CO -0.04 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1rfu n GLY 83 N 1.70 4.52 3.67 3.99 0.00 -0.26 -1.89 105.19 116.92 1rfu n GLY 83 Ca -0.19 -0.52 -0.58 0.00 0.00 0.00 0.00 46.02 44.73 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 1.74 -3.70 1.61 9.36 -1.26 -4.75 117.16 120.15 1rfu n TYR 84 Ca 0.00 0.72 -0.14 0.00 3.32 0.00 0.00 57.90 61.80 1rfu n TYR 84 Cb 0.00 -2.35 -0.08 0.00 -0.63 0.00 0.00 39.34 36.28 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 2.40 0.05 0.00 2.97 2.01 -1.26 -3.47 115.64 118.33 1rfu s THR 85 Ca 0.96 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1rfu s THR 85 Cb -1.14 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 70.62 1rfu s THR 85 CO 0.63 -0.22 0.40 0.54 -0.69 0.00 0.00 174.62 175.28 1rfu n ARG 86 N 1.04 0.20 -3.81 4.92 1.74 -1.26 -4.86 116.66 114.63 1rfu n ARG 86 Ca -0.20 -0.40 -0.37 0.00 -0.77 0.00 0.00 57.85 56.11 1rfu n ARG 86 Cb 0.57 -0.89 -0.13 0.00 -1.02 0.00 0.00 32.46 30.99 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 -0.14 4.97 0.29 0.55 3.68 -1.26 -4.64 116.67 120.12 1rfu s ASP 87 Ca 0.00 -0.86 -0.02 0.00 2.13 0.00 0.00 52.55 53.80 1rfu s ASP 87 Cb 0.00 -1.82 0.41 0.00 -1.45 0.00 0.00 42.92 40.06 1rfu s ASP 87 CO 0.00 -0.21 1.95 0.50 0.13 0.00 0.00 175.17 177.54 1rfu h LYS 88 N 8.17 1.13 -0.39 4.34 3.64 -1.93 0.16 116.57 131.70 1rfu h LYS 88 Ca -0.29 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1rfu h LYS 88 Cb 1.11 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1rfu h LYS 88 CO 0.59 0.75 0.23 0.77 -2.27 0.00 0.00 179.45 179.52 1rfu h SER 89 N 1.17 0.47 0.26 4.20 0.02 -1.96 0.16 113.55 117.88 1rfu h SER 89 Ca 0.34 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1rfu h SER 89 Cb -0.08 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1rfu h SER 89 CO -0.08 0.40 -0.26 0.15 -1.14 0.00 0.00 176.83 175.89 1rfu h PHE 90 N 0.51 -0.70 -0.27 3.45 3.57 -1.61 -1.61 116.94 120.28 1rfu h PHE 90 Ca 0.14 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1rfu h PHE 90 Cb 0.02 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1rfu h PHE 90 CO -0.03 -0.39 -0.02 1.25 -2.23 0.00 0.00 178.31 176.89 1rfu h LEU 91 N -0.56 -0.14 -0.27 0.59 5.85 -0.77 -2.34 115.31 117.67 1rfu h LEU 91 Ca -0.01 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1rfu h LEU 91 Cb 0.52 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 1rfu h LEU 91 CO -0.06 -0.04 -0.22 0.00 -0.34 0.00 0.00 178.44 177.79 1rfu h ALA 92 N 1.24 -0.06 -0.86 1.25 0.00 -0.74 -1.42 119.26 118.67 1rfu h ALA 92 Ca 0.13 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1rfu h ALA 92 Cb 0.17 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1rfu h ALA 92 CO -0.23 -0.63 0.56 1.98 0.00 0.00 0.00 179.25 180.93 1rfu h MET 93 N -0.20 0.71 -0.53 0.00 1.85 -0.93 -1.03 114.93 114.80 1rfu h MET 93 Ca 0.15 -0.04 0.05 0.00 -0.61 0.00 0.00 59.70 59.24 1rfu h MET 93 Cb 0.43 -0.16 -0.05 0.00 0.43 0.00 0.00 31.60 32.25 1rfu h MET 93 CO -0.39 0.47 0.26 0.28 -0.40 0.00 0.00 176.91 177.13 1rfu h VAL 94 N 0.73 0.94 0.13 -5.77 2.07 -0.73 0.12 116.25 113.74 1rfu h VAL 94 Ca 0.42 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.78 1rfu h VAL 94 Cb 0.59 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1rfu h VAL 94 CO -0.18 0.09 -0.34 0.58 0.02 0.00 0.00 177.57 177.74 1rfu h VAL 95 N 0.51 0.28 -0.65 2.57 2.07 -0.99 1.10 116.25 121.13 1rfu h VAL 95 Ca 0.24 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.88 1rfu h VAL 95 Cb 0.16 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 30.11 1rfu h VAL 95 CO -0.17 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.04 1rfu h ASP 96 N -0.58 0.08 0.53 0.57 3.45 -1.09 0.01 116.42 119.40 1rfu h ASP 96 Ca 0.03 0.11 -0.02 0.00 0.43 0.00 0.00 57.03 57.58 1rfu h ASP 96 Cb 0.61 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 1rfu h ASP 96 CO -0.19 0.03 -0.36 0.40 -1.57 0.00 0.00 179.24 177.55 1rfu h ILE 97 N 0.31 0.27 -0.80 0.35 2.04 0.86 -1.36 117.51 119.17 1rfu h ILE 97 Ca 0.35 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.40 1rfu h ILE 97 Cb 0.53 0.27 -0.13 0.00 -0.74 0.00 0.00 36.82 36.74 1rfu h ILE 97 CO -0.41 0.00 0.13 0.58 0.00 0.00 0.00 178.15 178.45 1rfu h VAL 98 N -0.86 0.36 -0.13 1.67 2.07 0.20 -1.79 116.25 117.77 1rfu h VAL 98 Ca -0.06 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1rfu h VAL 98 Cb 0.71 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1rfu h VAL 98 CO 0.04 0.03 -0.03 1.56 0.02 0.00 0.00 177.57 179.19 1rfu h GLN 99 N 0.18 0.25 -0.87 1.57 4.20 -0.60 0.12 115.11 119.96 1rfu h GLN 99 Ca 0.47 -0.10 0.18 0.00 0.06 0.00 0.00 58.65 59.26 1rfu h GLN 99 Cb 0.88 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.58 1rfu h GLN 99 CO -0.63 0.55 0.57 1.49 -0.67 0.00 0.00 178.83 180.14 1rfu h GLU 100 N -0.06 0.47 -0.26 1.46 4.81 -0.51 0.98 114.58 121.46 1rfu h GLU 100 Ca 0.03 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 1rfu h GLU 100 Cb 0.45 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1rfu h GLU 100 CO 0.01 0.31 -0.45 -0.07 -0.73 0.00 0.00 179.01 178.08 1rfu h LEU 101 N 0.48 0.85 -1.49 1.64 3.38 -0.85 -2.41 115.31 116.90 1rfu h LEU 101 Ca 0.45 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1rfu h LEU 101 Cb 1.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1rfu h LEU 101 CO -0.18 1.21 0.00 0.11 0.09 0.00 0.00 178.44 179.67 1rfu h LYS 102 N 0.51 0.00 0.06 1.13 1.57 0.12 0.16 116.57 120.12 1rfu h LYS 102 Ca 0.02 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.58 1rfu h LYS 102 Cb 1.05 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.38 1rfu h LYS 102 CO 0.10 0.00 -0.88 1.96 -0.57 0.00 0.00 179.45 180.06 1rfu h GLN 103 N 0.00 0.49 -0.23 3.15 7.50 -0.71 -2.92 115.11 122.39 1rfu h GLN 103 Ca 0.00 -0.61 -0.10 0.00 0.50 0.00 0.00 58.65 58.45 1rfu h GLN 103 Cb 0.29 0.19 -0.00 0.00 0.05 0.00 0.00 27.48 28.01 1rfu h GLN 103 CO 0.00 1.24 -0.23 1.96 -1.50 0.00 0.00 178.83 180.30 1rfu h GLN 104 N 0.02 0.56 -3.33 1.46 4.20 -0.90 -3.39 115.11 113.73 1rfu h GLN 104 Ca -0.13 -0.29 -0.62 0.00 0.06 0.00 0.00 58.65 57.66 1rfu h GLN 104 Cb 1.60 0.01 -0.40 0.00 0.30 0.00 0.00 27.48 28.98 1rfu h GLN 104 CO 0.17 0.88 -0.69 1.21 -0.67 0.00 0.00 178.83 179.73 1rfu s ASN 105 N -6.37 4.04 0.53 1.46 3.04 0.47 -4.95 114.94 113.16 1rfu s ASN 105 Ca -0.13 -2.68 0.36 0.00 0.04 0.00 0.00 52.86 50.45 1rfu s ASN 105 Cb 0.07 -1.32 1.89 0.00 -1.54 0.00 0.00 41.25 40.36 1rfu s ASN 105 CO 0.80 -0.27 2.09 -0.65 -3.04 0.00 0.00 177.10 176.02 1rfu h PRO 106 N 6.80 0.00 -0.00 0.43 0.11 -1.72 -0.58 132.00 137.03 1rfu h PRO 106 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1rfu h PRO 106 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1rfu h PRO 106 CO 0.57 0.00 -0.11 0.54 -0.21 0.00 0.00 178.00 178.79 1rfu n ARG 107 N -2.78 0.79 -1.91 1.05 1.74 -1.26 -4.92 116.66 109.37 1rfu n ARG 107 Ca -0.02 -0.30 -0.40 0.00 -0.77 0.00 0.00 57.85 56.37 1rfu n ARG 107 Cb 0.08 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.04 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 -2.42 4.14 -0.11 0.55 0.20 -0.23 -4.96 118.68 115.86 1rfu s LEU 108 Ca 0.30 2.80 0.02 0.00 0.69 0.00 0.00 54.13 57.94 1rfu s LEU 108 Cb 0.20 -3.94 -0.01 0.00 -0.43 0.00 0.00 46.19 42.01 1rfu s LEU 108 CO 0.46 -1.05 -0.18 -0.69 -0.29 0.00 0.00 176.35 174.60 1rfu s VAL 109 N -1.23 2.64 -0.35 1.68 1.01 -0.78 -4.99 120.40 118.37 1rfu s VAL 109 Ca 0.60 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1rfu s VAL 109 Cb -0.41 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 33.97 1rfu s VAL 109 CO 0.53 0.54 0.11 -0.47 0.00 0.00 0.00 175.10 175.81 1rfu s TYR 110 N 0.25 3.35 -0.27 5.22 6.04 -1.26 -1.08 117.35 129.60 1rfu s TYR 110 Ca -0.12 -1.85 -0.22 0.00 0.04 0.00 0.00 57.07 54.92 1rfu s TYR 110 Cb -0.16 -2.53 -0.01 0.00 -1.04 0.00 0.00 41.96 38.22 1rfu s TYR 110 CO 0.06 -0.83 0.72 0.08 -1.54 0.00 0.00 175.55 174.05 1rfu s VAL 111 N 1.28 4.89 -0.18 3.14 1.01 0.81 -1.63 120.40 129.72 1rfu s VAL 111 Ca 0.00 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 1rfu s VAL 111 Cb -0.21 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1rfu s VAL 111 CO -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 175.10 174.92 1rfu s ASP 113 N 1.02 5.90 -0.96 0.00 3.68 -0.79 -1.96 116.67 123.57 1rfu s ASP 113 Ca -0.00 -1.58 -0.15 0.00 2.13 0.00 0.00 52.55 52.95 1rfu s ASP 113 Cb -0.15 -2.09 -0.09 0.00 -1.45 0.00 0.00 42.92 39.14 1rfu s ASP 113 CO -0.01 -0.66 2.09 -0.81 0.13 0.00 0.00 175.17 175.91 1rfu n PRO 114 N 5.06 2.00 -2.06 4.34 -0.04 -1.26 -4.39 135.00 138.64 1rfu n PRO 114 Ca -0.11 -1.84 -0.41 0.00 -0.04 0.00 0.00 63.50 61.10 1rfu n PRO 114 Cb 0.42 -2.81 -0.03 0.00 -0.04 0.00 0.00 33.50 31.05 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 4.08 3.49 0.00 0.52 1.01 -1.26 -4.70 120.40 123.54 1rfu s VAL 115 Ca 0.51 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1rfu s VAL 115 Cb 0.13 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1rfu s VAL 115 CO 0.03 -0.63 0.00 0.23 0.00 0.00 0.00 175.10 174.74 1rfu n MET 116 N 8.64 0.00 -2.71 2.72 2.81 -1.26 -4.70 117.12 122.61 1rfu n MET 116 Ca 0.21 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 56.04 1rfu n MET 116 Cb 0.49 -0.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 1.99 1.87 3.25 3.03 0.00 -1.26 0.99 105.19 115.06 1rfu n GLY 117 Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.20 2.94 -1.07 1.61 2.15 -1.16 -4.71 116.67 114.23 1rfu s ASP 118 Ca 0.12 -0.49 -0.02 0.00 0.43 0.00 0.00 52.55 52.59 1rfu s ASP 118 Cb -0.02 -0.79 0.30 0.00 -0.30 0.00 0.00 42.92 42.11 1rfu s ASP 118 CO 0.09 0.24 1.82 0.00 -0.17 0.00 0.00 175.17 177.14 1rfu n GLN 119 N 2.95 5.17 -4.31 4.34 10.64 -1.26 -3.61 117.38 131.30 1rfu n GLN 119 Ca -0.17 -4.52 -0.30 0.00 -1.83 0.00 0.00 57.00 50.18 1rfu n GLN 119 Cb 0.52 -2.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.30 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 -3.68 2.22 -1.17 2.61 1.70 -1.26 -4.61 118.95 114.76 1rfu s ARG 120 Ca 0.39 -0.95 -0.03 0.00 -0.47 0.00 0.00 55.73 54.67 1rfu s ARG 120 Cb 0.16 -2.34 0.00 0.00 -0.57 0.00 0.00 34.95 32.20 1rfu s ARG 120 CO -0.08 0.53 0.35 0.09 -1.08 0.00 0.00 175.30 175.11 1rfu n ASN 121 N 0.94 -4.83 0.00 -2.89 4.13 -1.26 -4.60 115.26 106.75 1rfu n ASN 121 Ca -0.14 -0.17 0.00 0.00 1.68 0.00 0.00 54.58 55.95 1rfu n ASN 121 Cb 0.52 -3.75 0.00 0.00 -1.54 0.00 0.00 39.78 35.02 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 -1.25 0.34 3.97 7.41 0.00 -1.26 -4.99 105.19 109.40 1rfu n GLY 122 Ca -0.10 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 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 0.93 0.00 1.61 -1.05 -1.26 -4.88 118.70 114.05 1rfu s GLU 123 Ca 0.00 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 1rfu s GLU 123 Cb 0.00 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.61 1rfu s GLU 123 CO 0.00 -2.08 0.00 0.41 0.95 0.00 0.00 175.26 174.54 1rfu n GLY 124 N -3.37 4.34 2.91 -3.83 0.00 -1.26 -4.44 105.19 99.53 1rfu n GLY 124 Ca 0.17 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 0.03 0.58 4.61 0.00 -1.24 -5.06 121.76 118.68 1rfu s ALA 125 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 1rfu s ALA 125 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1rfu s ALA 125 CO 0.00 -0.05 1.08 -1.64 0.00 0.00 0.00 175.76 175.15 1rfu s MET 126 N -0.48 3.28 -0.24 0.00 -1.94 -1.26 -2.99 119.30 115.66 1rfu s MET 126 Ca -0.05 1.38 0.11 0.00 -1.71 0.00 0.00 55.69 55.41 1rfu s MET 126 Cb -0.03 -2.02 0.46 0.00 2.01 0.00 0.00 34.83 35.25 1rfu s MET 126 CO -0.00 -0.87 1.36 2.48 -0.01 0.00 0.00 175.02 177.98 1rfu n TYR 127 N -1.77 0.65 -3.92 -0.03 0.18 0.28 -4.88 117.16 107.67 1rfu n TYR 127 Ca 0.10 -1.44 -0.09 0.00 1.88 0.00 0.00 57.90 58.34 1rfu n TYR 127 Cb 0.52 -0.37 -0.09 0.00 -0.38 0.00 0.00 39.34 39.02 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 -3.17 0.14 0.52 -3.48 -7.23 -1.14 -4.97 120.40 101.07 1rfu s VAL 128 Ca 0.41 -1.14 -0.20 0.00 -1.81 0.00 0.00 61.98 59.24 1rfu s VAL 128 Cb 0.38 -1.03 -0.09 0.00 0.56 0.00 0.00 36.38 36.20 1rfu s VAL 128 CO -0.01 -0.63 0.73 -2.65 -0.31 0.00 0.00 175.10 172.23 1rfu n PRO 129 N 0.55 0.78 0.20 4.82 -0.02 -1.26 -4.87 135.00 135.19 1rfu n PRO 129 Ca -0.18 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.63 1rfu n PRO 129 Cb 0.59 -1.85 0.44 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.65 0.03 0.00 2.55 5.19 -1.98 -3.11 116.42 119.76 1rfu h ASP 130 Ca -0.45 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1rfu h ASP 130 Cb 1.38 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1rfu h ASP 130 CO 0.51 0.28 0.02 -0.90 -3.12 0.00 0.00 179.24 176.02 1rfu n ASP 131 N -4.24 0.00 0.01 6.45 5.68 -1.26 -1.28 116.55 121.91 1rfu n ASP 131 Ca -0.02 0.22 -0.03 0.00 -0.50 0.00 0.00 54.79 54.46 1rfu n ASP 131 Cb 0.30 -0.22 -0.11 0.00 -1.14 0.00 0.00 41.12 39.96 1rfu n ASP 131 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1rfu n LEU 132 N -1.20 0.85 0.02 -2.12 4.77 -1.18 -3.95 117.00 114.18 1rfu n LEU 132 Ca 0.00 0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 56.27 1rfu n LEU 132 Cb 0.02 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1rfu n LEU 132 CO 0.00 0.24 0.73 0.25 -1.33 0.00 0.00 177.39 177.28 1rfu h LEU 133 N 0.00 -0.58 -0.38 2.23 5.85 -1.42 0.36 115.31 121.37 1rfu h LEU 133 Ca -0.21 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1rfu h LEU 133 Cb 1.75 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 43.00 1rfu h LEU 133 CO 0.06 -0.24 0.13 1.55 -0.34 0.00 0.00 178.44 179.59 1rfu h PRO 134 N -0.26 0.27 -0.71 5.25 0.13 -1.73 0.23 132.00 135.18 1rfu h PRO 134 Ca 0.09 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1rfu h PRO 134 Cb 0.38 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.42 1rfu h PRO 134 CO -0.24 0.18 0.45 0.28 -0.23 0.00 0.00 178.00 178.44 1rfu h VAL 135 N 0.28 1.20 -0.50 1.56 2.07 -1.43 0.21 116.25 119.64 1rfu h VAL 135 Ca 0.18 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1rfu h VAL 135 Cb 0.17 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1rfu h VAL 135 CO -0.19 0.20 -0.02 1.88 0.02 0.00 0.00 177.57 179.46 1rfu h TYR 136 N 0.97 0.99 -0.40 1.57 -1.99 0.05 -0.25 116.97 117.91 1rfu h TYR 136 Ca 0.26 -0.18 -0.11 0.00 2.00 0.00 0.00 58.73 60.70 1rfu h TYR 136 Cb -0.06 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.40 1rfu h TYR 136 CO -0.02 0.93 -0.19 -0.09 -0.00 0.00 0.00 178.16 178.79 1rfu h ARG 137 N 0.76 0.76 0.00 4.88 2.43 0.11 -0.86 114.38 122.47 1rfu h ARG 137 Ca 0.14 -0.29 -0.15 0.00 -0.81 0.00 0.00 59.98 58.87 1rfu h ARG 137 Cb 0.55 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1rfu h ARG 137 CO 0.03 0.90 -1.83 0.39 -1.51 0.00 0.00 179.97 177.95 1rfu n GLU 138 N -4.13 1.28 -0.05 0.20 1.02 0.69 -4.63 120.64 115.02 1rfu n GLU 138 Ca 0.00 -0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.02 1rfu n GLU 138 Cb 0.41 -1.35 -0.07 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.31 1.40 -0.05 3.49 5.02 -0.18 -4.68 118.16 120.85 1rfu n LYS 139 Ca -0.15 0.03 -0.02 0.00 -2.02 0.00 0.00 58.31 56.16 1rfu n LYS 139 Cb 0.73 -1.25 -0.01 0.00 -0.02 0.00 0.00 35.03 34.48 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 0.00 -1.02 -0.18 2.07 -1.29 -3.37 116.25 112.47 1rfu h VAL 140 Ca -0.27 -0.80 0.25 0.00 0.82 0.00 0.00 66.70 66.70 1rfu h VAL 140 Cb 1.51 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.18 1rfu h VAL 140 CO -0.01 0.00 0.64 0.58 0.02 0.00 0.00 177.57 178.79 1rfu h VAL 141 N -0.80 0.56 -0.55 2.57 2.07 -1.41 -0.81 116.25 117.88 1rfu h VAL 141 Ca 0.00 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.46 1rfu h VAL 141 Cb 0.18 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 29.85 1rfu h VAL 141 CO 0.00 0.09 -0.19 -0.65 0.02 0.00 0.00 177.57 176.84 1rfu h PRO 142 N 0.51 -0.05 -0.09 1.57 0.11 -1.74 -1.70 132.00 130.61 1rfu h PRO 142 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1rfu h PRO 142 Cb 1.32 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1rfu h PRO 142 CO -0.35 -0.04 0.00 1.55 -0.21 0.00 0.00 178.00 178.95 1rfu n VAL 143 N -5.41 0.11 -3.14 3.15 3.14 -0.34 -4.34 118.33 111.50 1rfu n VAL 143 Ca 0.05 -0.22 -0.39 0.00 -2.96 0.00 0.00 64.34 60.83 1rfu n VAL 143 Cb 0.32 0.17 -0.06 0.00 -1.06 0.00 0.00 33.84 33.20 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 -1.89 3.52 -0.13 1.55 0.00 -0.64 -4.85 121.76 119.31 1rfu s ALA 144 Ca 0.33 0.18 0.19 0.00 0.00 0.00 0.00 51.96 52.67 1rfu s ALA 144 Cb 0.17 -2.79 -0.20 0.00 0.00 0.00 0.00 23.12 20.31 1rfu s ALA 144 CO 0.27 0.35 0.61 -0.25 0.00 0.00 0.00 175.76 176.74 1rfu n ASP 145 N 1.59 0.46 -3.68 0.00 8.00 -0.65 -1.65 116.55 120.62 1rfu n ASP 145 Ca -0.08 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.50 1rfu n ASP 145 Cb 0.50 0.86 -0.12 0.00 -0.02 0.00 0.00 41.12 42.33 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 -3.05 -0.31 0.05 0.53 1.01 -1.12 -2.76 121.20 115.56 1rfu s ILE 146 Ca -0.05 0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.88 1rfu s ILE 146 Cb 0.10 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 42.05 1rfu s ILE 146 CO 0.84 0.09 -0.19 0.27 0.00 0.00 0.00 174.94 175.95 1rfu s ILE 147 N 2.02 2.74 -0.53 2.92 -4.36 -0.91 0.76 121.20 123.83 1rfu s ILE 147 Ca -0.03 -1.26 0.07 0.00 -0.26 0.00 0.00 60.65 59.16 1rfu s ILE 147 Cb -0.11 -2.16 0.31 0.00 1.25 0.00 0.00 42.46 41.74 1rfu s ILE 147 CO -0.10 0.30 0.80 0.35 0.24 0.00 0.00 174.94 176.54 1rfu n THR 148 N 1.44 1.82 -1.77 8.37 -2.24 -0.83 -1.66 114.28 119.41 1rfu n THR 148 Ca -0.16 -5.11 -0.31 0.00 -2.27 0.00 0.00 64.05 56.20 1rfu n THR 148 Cb 0.52 -1.42 0.04 0.00 -2.10 0.00 0.00 70.33 67.37 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 -2.75 3.02 0.37 -0.78 0.04 -0.92 -4.51 135.00 129.47 1rfu s PRO 149 Ca 0.43 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 61.96 1rfu s PRO 149 Cb 0.25 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.67 1rfu s PRO 149 CO -0.09 -0.97 0.86 1.21 0.04 0.00 0.00 177.00 178.04 1rfu s ASN 150 N -4.12 6.91 0.17 6.66 3.04 -1.26 -2.21 114.94 124.12 1rfu s ASN 150 Ca 0.57 1.53 -0.18 0.00 0.04 0.00 0.00 52.86 54.83 1rfu s ASN 150 Cb -0.12 -2.47 0.10 0.00 -1.54 0.00 0.00 41.25 37.21 1rfu s ASN 150 CO 0.54 -0.26 1.65 -0.61 -3.04 0.00 0.00 177.10 175.38 1rfu h GLN 151 N 2.21 -0.06 0.10 0.43 4.15 -1.90 1.88 115.11 121.92 1rfu h GLN 151 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1rfu h GLN 151 Cb 1.18 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 1rfu h GLN 151 CO 0.63 -0.04 -0.25 0.35 -1.93 0.00 0.00 178.83 177.59 1rfu h PHE 152 N -0.06 -0.73 -0.67 3.99 3.57 -1.92 0.17 116.94 121.28 1rfu h PHE 152 Ca 0.19 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.84 1rfu h PHE 152 Cb 0.35 0.30 -0.09 0.00 2.79 0.00 0.00 35.95 39.31 1rfu h PHE 152 CO -0.39 -0.30 0.20 0.93 -2.23 0.00 0.00 178.31 176.52 1rfu h GLU 153 N -0.40 0.32 0.00 1.11 5.08 -1.65 0.27 114.58 119.32 1rfu h GLU 153 Ca -0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1rfu h GLU 153 Cb 0.38 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1rfu h GLU 153 CO -0.11 0.21 -0.01 0.00 -1.00 0.00 0.00 179.01 178.09 1rfu h ALA 154 N 1.52 1.56 0.12 3.43 0.00 0.34 0.22 119.26 126.45 1rfu h ALA 154 Ca 0.36 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 1rfu h ALA 154 Cb 0.56 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1rfu h ALA 154 CO -0.42 0.02 -0.79 0.93 0.00 0.00 0.00 179.25 178.99 1rfu h GLU 155 N 0.00 0.25 -0.97 0.00 5.08 0.19 -3.15 114.58 115.98 1rfu h GLU 155 Ca -0.00 -0.42 0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1rfu h GLU 155 Cb 0.03 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1rfu h GLU 155 CO 0.00 1.20 0.61 1.25 -1.00 0.00 0.00 179.01 181.08 1rfu h LEU 156 N -0.46 0.82 0.20 1.33 5.85 0.17 0.16 115.31 123.37 1rfu h LEU 156 Ca -0.15 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1rfu h LEU 156 Cb 1.57 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.49 1rfu h LEU 156 CO 0.11 0.40 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.45 1rfu h LEU 157 N 0.86 -0.22 0.00 2.25 3.38 -0.79 -3.16 115.31 117.63 1rfu h LEU 157 Ca 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1rfu h LEU 157 Cb 0.64 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1rfu h LEU 157 CO -0.27 0.31 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1rfu n THR 158 N -4.94 0.00 -1.04 0.22 -2.24 -1.14 -4.85 114.28 100.29 1rfu n THR 158 Ca -0.06 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.70 1rfu n THR 158 Cb 0.22 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.02 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 0.23 0.18 0.00 3.38 0.00 0.51 -4.95 105.19 104.54 1rfu n GLY 159 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.45 3.24 -3.75 1.61 1.74 -0.87 -4.97 116.66 114.12 1rfu n ARG 160 Ca -0.01 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.94 1rfu n ARG 160 Cb 0.48 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.78 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 1.45 0.18 0.13 5.56 2.20 -1.26 -4.46 119.74 123.54 1rfu s LYS 161 Ca 0.00 0.44 -0.17 0.00 -0.36 0.00 0.00 55.97 55.88 1rfu s LYS 161 Cb 0.00 -0.09 -0.07 0.00 -1.51 0.00 0.00 37.83 36.16 1rfu s LYS 161 CO 0.00 -0.14 0.57 0.42 -0.36 0.00 0.00 175.35 175.85 1rfu s ILE 162 N 1.00 4.79 0.00 5.43 -1.09 -1.26 -4.92 121.20 125.14 1rfu s ILE 162 Ca -0.07 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 1rfu s ILE 162 Cb -0.09 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1rfu s ILE 162 CO -0.06 0.35 0.46 0.00 -1.23 0.00 0.00 174.94 174.46 1rfu n HIS 163 N 1.11 0.00 -3.50 3.97 1.44 -1.26 -5.04 115.22 111.94 1rfu n HIS 163 Ca -0.07 0.00 -0.09 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 30.68 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 -0.21 -0.38 0.10 4.39 1.04 -1.26 -5.02 113.70 112.36 1rfu s SER 164 Ca 0.00 -0.02 -0.23 0.00 0.48 0.00 0.00 55.95 56.18 1rfu s SER 164 Cb 0.00 0.41 -0.13 0.00 0.10 0.00 0.00 66.02 66.41 1rfu s SER 164 CO 0.00 -0.67 1.72 -0.61 0.98 0.00 0.00 173.24 174.65 1rfu h GLN 165 N 2.00 -0.10 0.00 4.02 4.15 -1.99 -1.73 115.11 121.46 1rfu h GLN 165 Ca -0.24 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1rfu h GLN 165 Cb 1.25 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1rfu h GLN 165 CO 0.31 -0.07 0.00 -1.91 -1.93 0.00 0.00 178.83 175.24 1rfu n GLU 166 N -5.16 0.00 -0.31 1.69 2.13 -1.26 -0.10 120.64 117.64 1rfu n GLU 166 Ca -0.07 0.80 0.28 0.00 0.66 0.00 0.00 57.16 58.83 1rfu n GLU 166 Cb 0.09 -1.45 0.50 0.00 0.27 0.00 0.00 31.44 30.85 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 -2.51 -0.04 0.31 5.31 -0.58 -1.17 0.24 120.64 122.22 1rfu n GLU 167 Ca 0.00 1.05 -0.13 0.00 -0.42 0.00 0.00 57.16 57.67 1rfu n GLU 167 Cb 0.00 -1.97 -0.06 0.00 -0.57 0.00 0.00 31.44 28.84 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 1.45 -0.95 -1.47 0.62 0.00 0.38 -2.52 119.26 116.77 1rfu h ALA 168 Ca 0.69 -0.18 0.44 0.00 0.00 0.00 0.00 54.91 55.85 1rfu h ALA 168 Cb 1.99 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 20.01 1rfu h ALA 168 CO -0.51 -0.89 1.02 -0.07 0.00 0.00 0.00 179.25 178.79 1rfu h LEU 169 N -1.04 0.12 -0.14 0.00 3.38 0.67 0.24 115.31 118.54 1rfu h LEU 169 Ca -0.08 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1rfu h LEU 169 Cb 0.63 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1rfu h LEU 169 CO 0.14 -0.05 -0.17 -0.33 0.09 0.00 0.00 178.44 178.12 1rfu h GLU 170 N 0.06 0.36 -0.77 1.13 5.08 -0.54 -2.56 114.58 117.35 1rfu h GLU 170 Ca 0.76 -0.20 0.09 0.00 -1.00 0.00 0.00 59.36 59.01 1rfu h GLU 170 Cb 2.77 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 31.98 1rfu h GLU 170 CO -0.16 0.77 0.50 0.28 -1.00 0.00 0.00 179.01 179.40 1rfu h VAL 171 N -0.03 0.96 -0.26 3.13 2.07 -0.11 0.60 116.25 122.60 1rfu h VAL 171 Ca 0.02 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1rfu h VAL 171 Cb 0.72 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1rfu h VAL 171 CO 0.04 0.13 -0.30 0.24 0.02 0.00 0.00 177.57 177.70 1rfu h MET 172 N 0.71 0.53 -0.12 1.57 2.86 -1.34 1.12 114.93 120.26 1rfu h MET 172 Ca 0.35 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1rfu h MET 172 Cb 0.42 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1rfu h MET 172 CO -0.13 0.77 -0.03 -0.44 1.06 0.00 0.00 176.91 178.15 1rfu h ASP 173 N 0.46 0.23 0.44 1.22 3.45 -0.39 -1.01 116.42 120.81 1rfu h ASP 173 Ca 0.06 -0.37 -0.02 0.00 0.43 0.00 0.00 57.03 57.13 1rfu h ASP 173 Cb 0.75 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 1rfu h ASP 173 CO 0.06 0.54 -0.21 0.24 -1.57 0.00 0.00 179.24 178.30 1rfu h MET 174 N -0.09 -0.57 -0.46 3.56 2.86 0.29 -0.96 114.93 119.57 1rfu h MET 174 Ca 0.03 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1rfu h MET 174 Cb 0.44 0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.15 1rfu h MET 174 CO 0.01 -0.34 -0.11 -0.07 1.06 0.00 0.00 176.91 177.46 1rfu h LEU 175 N -0.67 -0.41 -0.59 1.22 3.38 0.13 0.34 115.31 118.70 1rfu h LEU 175 Ca -0.06 0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.16 1rfu h LEU 175 Cb 0.50 0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 1rfu h LEU 175 CO 0.10 -0.15 -0.12 0.45 0.09 0.00 0.00 178.44 178.81 1rfu h HIS 176 N 0.01 -0.26 -0.61 1.13 3.86 -0.98 0.35 115.15 118.64 1rfu h HIS 176 Ca 0.22 0.05 0.18 0.00 -1.16 0.00 0.00 60.37 59.66 1rfu h HIS 176 Cb 0.34 0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1rfu h HIS 176 CO -0.39 -0.24 0.51 1.03 0.86 0.00 0.00 177.93 179.71 1rfu h SER 177 N 0.02 0.00 1.77 2.45 0.87 0.10 0.54 113.55 119.30 1rfu h SER 177 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1rfu h SER 177 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1rfu h SER 177 CO -0.59 0.00 -0.10 0.24 -0.53 0.00 0.00 176.83 175.85 1rfu h MET 178 N 0.00 0.00 0.00 2.24 2.07 0.69 -3.48 114.93 116.45 1rfu h MET 178 Ca 0.29 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.92 1rfu h MET 178 Cb 1.32 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.05 1rfu h MET 178 CO -0.00 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.39 1rfu n GLY 179 N 1.16 0.06 3.61 8.32 0.00 0.19 -3.61 105.19 114.92 1rfu n GLY 179 Ca 0.04 0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 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 1.48 -0.01 1.61 -0.04 -0.66 -4.86 135.00 132.52 1rfu n PRO 180 Ca 0.00 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.08 1rfu n PRO 180 Cb 0.00 -1.96 -0.15 0.00 -0.04 0.00 0.00 33.50 31.36 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 1.03 0.45 -4.09 3.54 8.00 -1.13 -4.02 116.55 120.33 1rfu n ASP 181 Ca 0.09 -0.29 -0.31 0.00 0.71 0.00 0.00 54.79 54.99 1rfu n ASP 181 Cb 0.34 1.67 -0.16 0.00 -0.02 0.00 0.00 41.12 42.95 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 -3.29 1.76 -0.04 -3.53 2.01 -1.11 0.06 115.64 111.50 1rfu s THR 182 Ca -0.03 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1rfu s THR 182 Cb 0.14 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 71.06 1rfu s THR 182 CO 0.86 0.49 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.50 1rfu s VAL 183 N 1.09 0.83 -0.04 3.82 1.01 0.88 -2.15 120.40 125.85 1rfu s VAL 183 Ca -0.03 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1rfu s VAL 183 Cb -0.14 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1rfu s VAL 183 CO -0.05 0.27 -0.02 -0.69 0.00 0.00 0.00 175.10 174.61 1rfu s VAL 184 N 0.41 0.34 -0.49 2.92 1.01 -0.67 0.64 120.40 124.56 1rfu s VAL 184 Ca -0.07 -0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1rfu s VAL 184 Cb -0.11 -0.40 0.10 0.00 0.00 0.00 0.00 36.38 35.97 1rfu s VAL 184 CO 0.01 0.18 0.40 -0.63 0.00 0.00 0.00 175.10 175.06 1rfu s ILE 185 N 0.99 4.89 0.61 2.22 -1.09 0.17 -2.16 121.20 126.83 1rfu s ILE 185 Ca -0.10 -1.38 0.29 0.00 -2.23 0.00 0.00 60.65 57.22 1rfu s ILE 185 Cb -0.14 -4.05 0.36 0.00 -1.58 0.00 0.00 42.46 37.05 1rfu s ILE 185 CO -0.01 -0.69 1.90 0.71 -1.23 0.00 0.00 174.94 175.62 1rfu h THR 186 N 5.92 0.28 -1.20 2.92 1.35 -1.71 -1.64 112.91 118.83 1rfu h THR 186 Ca -0.27 0.00 0.33 0.00 -0.55 0.00 0.00 66.41 65.92 1rfu h THR 186 Cb 1.10 0.63 -0.17 0.00 -1.73 0.00 0.00 68.15 67.98 1rfu h THR 186 CO 0.91 0.00 0.92 -0.94 -0.25 0.00 0.00 175.52 176.16 1rfu s SER 187 N -5.05 -0.04 0.09 5.36 1.04 -1.25 -4.51 113.70 109.34 1rfu s SER 187 Ca -0.04 -0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.10 1rfu s SER 187 Cb 0.14 0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.41 1rfu s SER 187 CO 0.48 -0.11 1.12 -0.94 0.98 0.00 0.00 173.24 174.77 1rfu s SER 188 N -2.48 -0.08 0.40 7.02 1.04 -0.78 -2.93 113.70 115.88 1rfu s SER 188 Ca 0.13 -0.35 0.22 0.00 0.48 0.00 0.00 55.95 56.42 1rfu s SER 188 Cb 0.02 0.35 0.38 0.00 0.10 0.00 0.00 66.02 66.88 1rfu s SER 188 CO -0.04 -0.66 1.61 0.78 0.98 0.00 0.00 173.24 175.91 1rfu h ASN 189 N 2.00 0.00 -0.23 7.02 2.35 -1.96 -3.32 115.58 121.44 1rfu h ASN 189 Ca -0.27 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.28 1rfu h ASN 189 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1rfu h ASN 189 CO 0.29 0.17 0.14 0.18 -1.65 0.00 0.00 177.43 176.55 1rfu n LEU 190 N -3.16 0.23 -4.48 1.61 4.32 -1.26 -4.41 117.00 109.86 1rfu n LEU 190 Ca 0.03 0.27 -0.14 0.00 -0.02 0.00 0.00 56.01 56.15 1rfu n LEU 190 Cb 0.57 -0.20 -0.11 0.00 -1.62 0.00 0.00 43.42 42.05 1rfu n LEU 190 CO 0.35 -0.23 1.38 0.18 -1.22 0.00 0.00 177.39 177.85 1rfu n LEU 191 N 0.83 0.42 -4.50 2.23 4.77 -1.26 -4.81 117.00 114.67 1rfu n LEU 191 Ca 0.07 -1.45 -0.42 0.00 -0.03 0.00 0.00 56.01 54.17 1rfu n LEU 191 Cb -0.01 -1.27 0.01 0.00 -2.33 0.00 0.00 43.42 39.82 1rfu n LEU 191 CO 0.19 -2.43 0.24 -1.20 -1.33 0.00 0.00 177.39 172.86 1rfu n SER 192 N 13.99 -0.18 0.10 -1.43 7.64 -1.26 -4.80 113.62 127.67 1rfu n SER 192 Ca 0.45 0.97 0.20 0.00 1.01 0.00 0.00 58.87 61.50 1rfu n SER 192 Cb 0.37 -1.18 0.74 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.07 0.00 -2.98 1.43 0.11 -1.98 -3.38 132.00 126.26 1rfu h PRO 193 Ca -0.41 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.45 1rfu h PRO 193 Cb 1.38 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.15 1rfu h PRO 193 CO 0.54 0.00 -0.58 -0.98 -0.21 0.00 0.00 178.00 176.77 1rfu s ARG 194 N -4.59 0.10 0.25 1.05 1.70 -1.26 -5.12 118.95 111.07 1rfu s ARG 194 Ca -0.04 0.65 0.00 0.00 -0.47 0.00 0.00 55.73 55.86 1rfu s ARG 194 Cb 0.15 -0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 1rfu s ARG 194 CO 0.53 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.88 1rfu n GLY 195 N 5.26 -3.48 0.05 3.88 0.00 -1.26 -4.61 105.19 105.03 1rfu n GLY 195 Ca -0.07 -1.05 0.12 0.00 0.00 0.00 0.00 46.02 45.01 1rfu n GLY 195 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rfu n SER 196 N -1.63 0.65 -2.04 1.61 2.88 -1.26 -3.81 113.62 110.02 1rfu n SER 196 Ca 0.00 0.01 -0.19 0.00 -1.33 0.00 0.00 58.87 57.36 1rfu n SER 196 Cb 0.14 0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1rfu n SER 196 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1rfu n ASP 197 N -1.99 6.40 -3.72 -3.46 5.68 -1.26 -4.81 116.55 113.38 1rfu n ASP 197 Ca 0.03 -3.06 -0.12 0.00 -0.50 0.00 0.00 54.79 51.14 1rfu n ASP 197 Cb 0.42 -1.12 -0.13 0.00 -1.14 0.00 0.00 41.12 39.15 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 -1.63 -0.37 -0.03 2.11 1.51 -1.25 -2.83 117.35 114.86 1rfu s TYR 198 Ca 0.39 0.86 -0.15 0.00 -1.01 0.00 0.00 57.07 57.16 1rfu s TYR 198 Cb 0.28 0.08 -0.05 0.00 -0.11 0.00 0.00 41.96 42.15 1rfu s TYR 198 CO -0.06 -0.25 0.41 -0.51 -1.11 0.00 0.00 175.55 174.03 1rfu s LEU 199 N 1.29 4.42 -0.05 -1.29 1.43 0.16 -4.76 118.68 119.89 1rfu s LEU 199 Ca -0.09 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1rfu s LEU 199 Cb -0.10 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1rfu s LEU 199 CO -0.09 0.25 -0.02 -0.32 0.23 0.00 0.00 176.35 176.40 1rfu s MET 200 N -0.67 2.83 -0.01 1.70 -2.45 -1.25 0.21 119.30 119.65 1rfu s MET 200 Ca 0.24 -0.53 0.02 0.00 -1.25 0.00 0.00 55.69 54.16 1rfu s MET 200 Cb -0.16 -2.68 0.00 0.00 1.25 0.00 0.00 34.83 33.24 1rfu s MET 200 CO 0.12 0.66 -0.06 0.00 1.05 0.00 0.00 175.02 176.79 1rfu s ALA 201 N -0.94 0.54 -0.06 4.11 0.00 0.34 -1.87 121.76 123.89 1rfu s ALA 201 Ca 0.15 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 51.95 1rfu s ALA 201 Cb -0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1rfu s ALA 201 CO 0.05 0.10 -0.22 -0.51 0.00 0.00 0.00 175.76 175.18 1rfu s LEU 202 N 0.06 2.26 -0.08 0.00 1.43 -0.62 -0.55 118.68 121.19 1rfu s LEU 202 Ca -0.00 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1rfu s LEU 202 Cb -0.05 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.77 1rfu s LEU 202 CO -0.00 0.27 -0.03 -0.83 0.23 0.00 0.00 176.35 175.99 1rfu s GLY 203 N -0.30 0.59 0.03 -3.19 0.00 0.32 0.44 107.32 105.21 1rfu s GLY 203 Ca 0.01 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.49 1rfu s GLY 203 CO 0.02 0.98 -0.03 -0.45 0.00 0.00 0.00 173.10 173.63 1rfu s SER 204 N 1.81 4.90 -0.05 1.64 0.15 0.21 -1.35 113.70 121.02 1rfu s SER 204 Ca 0.04 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.53 1rfu s SER 204 Cb -0.12 -1.19 0.02 0.00 -1.71 0.00 0.00 66.02 63.01 1rfu s SER 204 CO -0.06 0.25 0.13 -1.58 1.20 0.00 0.00 173.24 173.18 1rfu s GLN 205 N -1.76 0.14 -0.08 5.44 0.74 0.39 -0.08 119.66 124.45 1rfu s GLN 205 Ca 0.21 0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.83 1rfu s GLN 205 Cb -0.11 0.04 0.02 0.00 1.10 0.00 0.00 33.01 34.05 1rfu s GLN 205 CO 0.12 -0.04 -0.09 0.50 -0.55 0.00 0.00 175.29 175.23 1rfu s ARG 206 N 0.22 1.49 0.04 1.67 3.52 0.11 -0.33 118.95 125.68 1rfu s ARG 206 Ca -0.01 -0.30 0.07 0.00 -0.13 0.00 0.00 55.73 55.35 1rfu s ARG 206 Cb -0.02 -1.39 -0.02 0.00 -1.56 0.00 0.00 34.95 31.96 1rfu s ARG 206 CO -0.01 -0.11 -0.19 0.99 -0.81 0.00 0.00 175.30 175.18 1rfu s THR 207 N 1.12 1.51 -0.38 4.11 2.01 -0.36 -4.79 115.64 118.86 1rfu s THR 207 Ca -0.06 -1.13 -0.06 0.00 0.31 0.00 0.00 61.69 60.75 1rfu s THR 207 Cb -0.14 -1.32 0.07 0.00 0.01 0.00 0.00 72.50 71.12 1rfu s THR 207 CO -0.01 0.16 0.18 -0.13 -0.69 0.00 0.00 174.62 174.12 1rfu s ARG 208 N -1.14 2.44 0.92 4.92 1.81 -1.26 -0.24 118.95 126.39 1rfu s ARG 208 Ca 0.06 -1.46 -0.10 0.00 -1.72 0.00 0.00 55.73 52.51 1rfu s ARG 208 Cb -0.08 -3.58 0.14 0.00 -0.45 0.00 0.00 34.95 30.98 1rfu s ARG 208 CO 0.02 -0.87 1.10 0.00 -0.68 0.00 0.00 175.30 174.86 1rfu n ALA 209 N 4.77 -0.92 1.07 2.13 0.00 0.12 -4.84 120.51 122.84 1rfu n ALA 209 Ca -0.09 -0.56 0.03 0.00 0.00 0.00 0.00 53.44 52.82 1rfu n ALA 209 Cb 0.43 -2.18 0.20 0.00 0.00 0.00 0.00 19.45 17.91 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 -4.09 0.53 -0.09 0.00 -0.02 -1.26 -1.26 135.00 128.80 1rfu n PRO 210 Ca 0.12 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.63 1rfu n PRO 210 Cb 0.52 -1.20 0.08 0.00 -0.02 0.00 0.00 33.50 32.88 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 -0.70 2.50 0.00 2.55 5.68 -1.26 -4.98 116.55 120.33 1rfu n ASP 211 Ca 0.05 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1rfu n ASP 211 Cb 0.02 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 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 0.04 2.81 3.73 6.12 0.00 -0.39 -5.02 105.19 112.48 1rfu n GLY 212 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 0.39 2.58 -4.18 1.61 3.41 -1.26 -4.65 113.62 111.52 1rfu n SER 213 Ca 0.00 0.98 -0.37 0.00 -0.26 0.00 0.00 58.87 59.23 1rfu n SER 213 Cb 0.00 -1.56 -0.12 0.00 -0.26 0.00 0.00 64.21 62.27 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 -1.29 3.41 -0.20 -3.33 -7.23 -1.26 0.13 120.40 110.64 1rfu s VAL 214 Ca 0.71 -1.62 -0.29 0.00 -1.81 0.00 0.00 61.98 58.96 1rfu s VAL 214 Cb -0.43 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.39 1rfu s VAL 214 CO 0.50 -0.41 1.05 0.54 -0.31 0.00 0.00 175.10 176.46 1rfu s VAL 215 N 1.26 4.67 -0.11 1.32 0.11 0.66 -4.86 120.40 123.46 1rfu s VAL 215 Ca 0.02 2.00 -0.02 0.00 -2.93 0.00 0.00 61.98 61.05 1rfu s VAL 215 Cb -0.21 -4.29 -0.03 0.00 -1.53 0.00 0.00 36.38 30.32 1rfu s VAL 215 CO -0.01 -0.14 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.70 1rfu s THR 216 N 2.95 4.01 -0.11 5.04 2.01 -1.26 -1.23 115.64 127.05 1rfu s THR 216 Ca 0.46 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 62.14 1rfu s THR 216 Cb -0.16 -2.70 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 1rfu s THR 216 CO 0.09 0.56 -0.21 -1.10 -0.69 0.00 0.00 174.62 173.27 1rfu s GLN 217 N -0.42 3.13 -0.06 4.92 -0.21 0.55 -5.00 119.66 122.58 1rfu s GLN 217 Ca 0.07 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.62 1rfu s GLN 217 Cb -0.12 -2.38 0.02 0.00 1.00 0.00 0.00 33.01 31.53 1rfu s GLN 217 CO 0.02 0.19 -0.03 1.03 -2.12 0.00 0.00 175.29 174.38 1rfu s ARG 218 N 0.34 0.81 -0.00 2.91 1.81 -1.26 -0.46 118.95 123.09 1rfu s ARG 218 Ca -0.17 -0.05 0.01 0.00 -1.72 0.00 0.00 55.73 53.80 1rfu s ARG 218 Cb -0.17 -0.93 -0.00 0.00 -0.45 0.00 0.00 34.95 33.39 1rfu s ARG 218 CO 0.08 -0.16 -0.04 0.96 -0.68 0.00 0.00 175.30 175.46 1rfu s ILE 219 N 1.29 0.31 0.10 1.52 -4.36 -0.45 -1.34 121.20 118.27 1rfu s ILE 219 Ca -0.05 -0.16 0.09 0.00 -0.26 0.00 0.00 60.65 60.27 1rfu s ILE 219 Cb -0.14 -0.27 -0.04 0.00 1.25 0.00 0.00 42.46 43.26 1rfu s ILE 219 CO -0.02 0.09 -0.20 -0.60 0.24 0.00 0.00 174.94 174.45 1rfu s ARG 220 N -0.05 1.77 0.01 0.37 3.52 0.15 -0.52 118.95 124.20 1rfu s ARG 220 Ca 0.01 -1.16 0.00 0.00 -0.13 0.00 0.00 55.73 54.45 1rfu s ARG 220 Cb -0.02 -2.08 -0.01 0.00 -1.56 0.00 0.00 34.95 31.29 1rfu s ARG 220 CO -0.00 0.49 -0.02 -1.64 -0.81 0.00 0.00 175.30 173.32 1rfu s MET 221 N -1.90 0.17 -0.28 5.12 -1.94 0.29 -0.54 119.30 120.21 1rfu s MET 221 Ca 0.16 -0.22 -0.03 0.00 -1.71 0.00 0.00 55.69 53.89 1rfu s MET 221 Cb -0.10 -0.05 0.03 0.00 2.01 0.00 0.00 34.83 36.71 1rfu s MET 221 CO 0.08 0.01 0.00 -1.21 -0.01 0.00 0.00 175.02 173.89 1rfu s GLU 222 N -0.46 2.79 0.12 2.03 2.02 -1.26 -0.50 118.70 123.44 1rfu s GLU 222 Ca -0.04 -1.03 0.04 0.00 0.02 0.00 0.00 54.97 53.96 1rfu s GLU 222 Cb -0.03 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 1rfu s GLU 222 CO -0.00 -0.48 0.11 -1.64 0.02 0.00 0.00 175.26 173.27 1rfu s MET 223 N 1.36 2.92 -0.34 1.61 -1.94 0.55 -4.89 119.30 118.58 1rfu s MET 223 Ca -0.01 -0.75 -0.28 0.00 -1.71 0.00 0.00 55.69 52.94 1rfu s MET 223 Cb -0.18 -2.71 0.02 0.00 2.01 0.00 0.00 34.83 33.97 1rfu s MET 223 CO -0.01 0.53 1.03 -1.58 -0.01 0.00 0.00 175.02 174.97 1rfu s HIS 224 N -1.55 3.12 0.26 -0.03 2.46 -1.26 0.39 115.29 118.68 1rfu s HIS 224 Ca 0.30 1.05 -0.30 0.00 0.47 0.00 0.00 55.06 56.58 1rfu s HIS 224 Cb -0.11 -3.69 -0.10 0.00 -0.13 0.00 0.00 32.58 28.55 1rfu s HIS 224 CO 0.23 -0.80 1.35 0.21 -2.47 0.00 0.00 174.74 173.26 1rfu s LYS 225 N 3.61 4.34 -0.14 2.88 2.20 -1.13 -4.81 119.74 126.71 1rfu s LYS 225 Ca 0.43 2.18 -0.08 0.00 -0.36 0.00 0.00 55.97 58.14 1rfu s LYS 225 Cb -0.12 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 1rfu s LYS 225 CO 0.17 -0.28 0.14 0.08 -0.36 0.00 0.00 175.35 175.10 1rfu s VAL 226 N -0.33 5.48 -0.22 4.02 1.01 -1.26 -4.88 120.40 124.23 1rfu s VAL 226 Ca 0.55 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 1rfu s VAL 226 Cb -0.39 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 1rfu s VAL 226 CO 0.44 0.58 1.71 -0.67 0.00 0.00 0.00 175.10 177.16 1rfu n ASP 227 N 2.34 2.46 -3.68 3.32 -0.08 -1.26 -4.74 116.55 114.90 1rfu n ASP 227 Ca -0.19 -1.99 -0.06 0.00 -1.51 0.00 0.00 54.79 51.04 1rfu n ASP 227 Cb 0.54 -0.67 -0.02 0.00 2.34 0.00 0.00 41.12 43.32 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 2.84 -1.65 -0.40 -1.67 0.00 -1.26 -5.02 121.76 114.61 1rfu s ALA 228 Ca 0.26 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 1rfu s ALA 228 Cb 0.10 0.62 0.10 0.00 0.00 0.00 0.00 23.12 23.94 1rfu s ALA 228 CO -0.01 -0.94 0.19 0.08 0.00 0.00 0.00 175.76 175.08 1rfu s VAL 229 N -3.34 3.41 0.46 0.00 1.01 -1.26 -5.10 120.40 115.58 1rfu s VAL 229 Ca 0.10 -1.85 0.01 0.00 0.00 0.00 0.00 61.98 60.24 1rfu s VAL 229 Cb -0.02 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1rfu s VAL 229 CO -0.01 -0.58 0.67 -0.36 0.00 0.00 0.00 175.10 174.83 1rfu s PHE 230 N 1.21 3.12 -0.03 5.22 0.40 -1.26 -4.97 117.98 121.66 1rfu s PHE 230 Ca 0.05 0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1rfu s PHE 230 Cb -0.22 -2.38 0.02 0.00 0.51 0.00 0.00 43.02 40.94 1rfu s PHE 230 CO -0.03 -0.44 -0.03 0.08 0.70 0.00 0.00 175.22 175.50 1rfu s VAL 231 N -2.56 0.43 0.00 -0.44 1.01 -1.26 -4.73 120.40 112.84 1rfu s VAL 231 Ca 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1rfu s VAL 231 Cb -0.10 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1rfu s VAL 231 CO 0.37 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1rfu n GLY 232 N 3.92 1.82 0.11 4.51 0.00 -1.26 -4.67 105.19 109.62 1rfu n GLY 232 Ca -0.25 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 0.77 -0.42 2.61 1.35 -1.86 -1.22 112.91 114.14 1rfu h THR 233 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.95 1rfu h THR 233 Cb 0.00 0.77 -0.08 0.00 -1.73 0.00 0.00 68.15 67.11 1rfu h THR 233 CO 0.00 0.00 -0.12 1.23 -0.25 0.00 0.00 175.52 176.38 1rfu h GLY 234 N -0.01 0.28 0.94 5.82 0.00 -1.94 -0.27 103.07 107.89 1rfu h GLY 234 Ca 0.10 0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.61 1rfu h GLY 234 CO -0.22 -0.17 0.59 -0.55 0.00 0.00 0.00 176.54 176.19 1rfu h ASP 235 N -0.02 0.99 -0.61 0.19 3.32 -1.79 -1.51 116.42 117.00 1rfu h ASP 235 Ca 0.20 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1rfu h ASP 235 Cb 0.33 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1rfu h ASP 235 CO -0.44 0.70 0.21 0.25 -1.72 0.00 0.00 179.24 178.24 1rfu h LEU 236 N 1.17 0.87 0.13 1.55 5.85 -0.46 -2.35 115.31 122.07 1rfu h LEU 236 Ca 0.34 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1rfu h LEU 236 Cb -0.07 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1rfu h LEU 236 CO -0.09 0.83 -0.30 0.15 -0.34 0.00 0.00 178.44 178.68 1rfu h PHE 237 N 0.86 -0.87 -0.51 1.25 3.57 -0.17 -0.38 116.94 120.69 1rfu h PHE 237 Ca 0.20 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.81 1rfu h PHE 237 Cb 0.26 0.36 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 1rfu h PHE 237 CO 0.02 -0.36 0.03 0.00 -2.23 0.00 0.00 178.31 175.77 1rfu h ALA 238 N -1.05 0.51 -0.89 2.41 0.00 -1.30 1.33 119.26 120.27 1rfu h ALA 238 Ca -0.01 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1rfu h ALA 238 Cb 0.46 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1rfu h ALA 238 CO -0.13 -0.37 0.54 0.00 0.00 0.00 0.00 179.25 179.29 1rfu h ALA 239 N 1.44 1.27 0.15 0.00 0.00 -1.20 1.19 119.26 122.10 1rfu h ALA 239 Ca 0.26 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.89 1rfu h ALA 239 Cb 0.38 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1rfu h ALA 239 CO -0.40 0.22 -1.27 0.52 0.00 0.00 0.00 179.25 178.32 1rfu h MET 240 N 0.94 0.41 -0.68 0.00 2.07 0.43 -3.05 114.93 115.04 1rfu h MET 240 Ca 0.41 -0.64 0.04 0.00 -2.07 0.00 0.00 59.70 57.44 1rfu h MET 240 Cb 0.30 0.23 -0.05 0.00 -1.87 0.00 0.00 31.60 30.21 1rfu h MET 240 CO -0.22 1.29 0.42 1.25 1.07 0.00 0.00 176.91 180.72 1rfu h LEU 241 N 0.14 0.67 -1.63 1.22 5.85 0.29 0.15 115.31 122.00 1rfu h LEU 241 Ca -0.17 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.66 1rfu h LEU 241 Cb 1.97 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 1rfu h LEU 241 CO 0.22 0.46 0.42 0.25 -0.34 0.00 0.00 178.44 179.45 1rfu h LEU 242 N 0.81 0.37 0.16 2.25 6.46 0.14 -2.30 115.31 123.19 1rfu h LEU 242 Ca 0.28 0.01 -0.29 0.00 -0.12 0.00 0.00 57.88 57.76 1rfu h LEU 242 Cb 0.05 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1rfu h LEU 242 CO -0.12 0.22 -1.35 0.00 -0.62 0.00 0.00 178.44 176.56 1rfu h ALA 243 N 1.69 0.07 0.03 1.25 0.00 -0.66 -3.23 119.26 118.41 1rfu h ALA 243 Ca 0.29 -0.92 -0.22 0.00 0.00 0.00 0.00 54.91 54.05 1rfu h ALA 243 Cb 0.59 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1rfu h ALA 243 CO -0.08 0.94 -0.90 -1.49 0.00 0.00 0.00 179.25 177.72 1rfu h TRP 244 N 0.09 0.84 0.00 0.00 -0.00 -0.94 -3.07 115.95 112.87 1rfu h TRP 244 Ca -0.18 -0.48 -0.01 0.00 -0.00 0.00 0.00 58.89 58.21 1rfu h TRP 244 Cb 2.03 -0.09 -0.00 0.00 -0.00 0.00 0.00 29.16 31.10 1rfu h TRP 244 CO 0.08 1.32 -0.07 1.79 -0.00 0.00 0.00 178.44 181.56 1rfu h THR 245 N 0.12 0.52 0.00 1.49 1.35 -1.58 0.92 112.91 115.73 1rfu h THR 245 Ca -0.12 -0.30 -0.12 0.00 -0.55 0.00 0.00 66.41 65.32 1rfu h THR 245 Cb 1.59 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 69.19 1rfu h THR 245 CO 0.18 0.07 -0.56 -0.74 -0.25 0.00 0.00 175.52 174.21 1rfu h HIS 246 N 0.00 0.00 0.21 4.73 -0.00 -1.56 0.15 115.15 118.68 1rfu h HIS 246 Ca -0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 60.03 1rfu h HIS 246 Cb 0.19 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.62 1rfu h HIS 246 CO 0.00 0.56 -1.59 -0.22 -0.00 0.00 0.00 177.93 176.68 1rfu h LYS 247 N 0.00 0.45 -2.51 5.26 1.63 0.32 -3.39 116.57 118.33 1rfu h LYS 247 Ca -0.01 -0.78 -0.60 0.00 -0.85 0.00 0.00 60.65 58.42 1rfu h LYS 247 Cb 1.01 0.29 -0.41 0.00 -0.60 0.00 0.00 32.23 32.52 1rfu h LYS 247 CO 0.07 1.36 -0.74 0.72 -3.45 0.00 0.00 179.45 177.42 1rfu n HIS 248 N -3.64 1.99 0.31 1.91 8.25 0.26 -4.94 115.22 119.36 1rfu n HIS 248 Ca -0.20 -3.95 0.18 0.00 -0.26 0.00 0.00 57.72 53.49 1rfu n HIS 248 Cb 1.09 -0.39 1.00 0.00 1.12 0.00 0.00 29.99 32.81 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 4.85 0.00 -0.76 -0.41 0.13 -0.92 -2.66 132.00 132.23 1rfu h PRO 249 Ca 0.18 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.80 1rfu h PRO 249 Cb 0.78 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.48 1rfu h PRO 249 CO 0.65 0.02 -0.86 0.09 -0.23 0.00 0.00 178.00 177.66 1rfu n ASN 250 N -3.42 4.37 -2.86 1.44 3.02 -1.26 -4.75 115.26 111.80 1rfu n ASN 250 Ca -0.02 -3.48 -0.12 0.00 -0.03 0.00 0.00 54.58 50.93 1rfu n ASN 250 Cb 0.12 -0.37 0.04 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.67 -0.13 -0.34 6.41 2.85 -1.00 -4.96 115.26 117.42 1rfu n ASN 251 Ca 0.38 -2.97 0.22 0.00 -0.11 0.00 0.00 54.58 52.10 1rfu n ASN 251 Cb 0.92 0.22 0.46 0.00 1.24 0.00 0.00 39.78 42.62 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 2.82 0.55 0.44 1.20 5.85 -1.86 0.27 115.31 124.58 1rfu h LEU 252 Ca -0.07 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1rfu h LEU 252 Cb 1.11 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1rfu h LEU 252 CO 0.32 -0.03 -0.34 0.50 -0.34 0.00 0.00 178.44 178.56 1rfu h LYS 253 N 0.41 -0.72 -0.02 1.25 3.64 -1.95 0.23 116.57 119.41 1rfu h LYS 253 Ca 0.69 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 60.14 1rfu h LYS 253 Cb 1.56 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.52 1rfu h LYS 253 CO -0.51 -0.48 -0.12 0.28 -2.27 0.00 0.00 179.45 176.35 1rfu h VAL 254 N -0.75 0.70 -0.63 2.00 2.07 -1.35 0.45 116.25 118.75 1rfu h VAL 254 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1rfu h VAL 254 Cb 0.63 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1rfu h VAL 254 CO 0.01 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.86 1rfu h ALA 255 N 0.80 0.82 -0.17 1.67 0.00 -0.52 0.11 119.26 121.97 1rfu h ALA 255 Ca 0.05 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1rfu h ALA 255 Cb 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rfu h ALA 255 CO -0.13 -0.15 -0.38 0.00 0.00 0.00 0.00 179.25 178.59 1rfu h GLU 257 N 0.31 -0.37 -0.08 0.00 5.08 0.24 0.37 114.58 120.14 1rfu h GLU 257 Ca 0.03 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1rfu h GLU 257 Cb 0.82 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 1rfu h GLU 257 CO 0.07 -0.11 -0.41 0.87 -1.00 0.00 0.00 179.01 178.42 1rfu h LYS 258 N -0.59 -0.50 -0.47 2.33 1.57 -1.28 0.54 116.57 118.18 1rfu h LYS 258 Ca -0.04 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1rfu h LYS 258 Cb 0.43 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.76 1rfu h LYS 258 CO 0.06 -0.33 -0.52 1.15 -0.57 0.00 0.00 179.45 179.25 1rfu h THR 259 N -0.52 0.03 0.00 -0.16 2.02 -1.41 0.15 112.91 113.03 1rfu h THR 259 Ca 0.07 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 1rfu h THR 259 Cb 0.63 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1rfu h THR 259 CO -0.36 0.00 -0.27 0.58 0.37 0.00 0.00 175.52 175.84 1rfu h VAL 260 N -0.34 1.00 0.09 3.16 2.07 -0.59 -1.09 116.25 120.55 1rfu h VAL 260 Ca 0.11 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1rfu h VAL 260 Cb 0.58 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1rfu h VAL 260 CO -0.63 0.26 -0.04 0.28 0.02 0.00 0.00 177.57 177.46 1rfu h SER 261 N 0.00 -0.10 -0.58 0.57 0.02 0.78 0.82 113.55 115.06 1rfu h SER 261 Ca -0.00 -0.32 0.11 0.00 -0.84 0.00 0.00 61.79 60.74 1rfu h SER 261 Cb 0.54 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.02 1rfu h SER 261 CO 0.03 0.28 0.11 0.00 -1.14 0.00 0.00 176.83 176.11 1rfu h ALA 262 N 0.36 0.66 -0.37 3.77 0.00 -0.58 0.77 119.26 123.87 1rfu h ALA 262 Ca -0.01 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1rfu h ALA 262 Cb 0.42 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1rfu h ALA 262 CO 0.02 -0.32 -0.41 1.98 0.00 0.00 0.00 179.25 180.53 1rfu h MET 263 N 0.24 -0.32 -0.11 0.00 4.05 -0.84 -0.55 114.93 117.39 1rfu h MET 263 Ca 0.30 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.79 1rfu h MET 263 Cb 0.44 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.26 1rfu h MET 263 CO -0.40 -0.22 -0.22 1.25 0.23 0.00 0.00 176.91 177.56 1rfu h HIS 264 N -0.34 -0.58 0.15 1.39 6.17 0.15 -0.67 115.15 121.42 1rfu h HIS 264 Ca 0.14 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.24 1rfu h HIS 264 Cb 0.58 0.28 -0.02 0.00 2.52 0.00 0.00 27.41 30.77 1rfu h HIS 264 CO -0.59 -0.30 -0.27 0.45 0.71 0.00 0.00 177.93 177.93 1rfu h HIS 265 N -0.29 -0.75 -0.89 5.26 -0.00 -0.69 0.60 115.15 118.39 1rfu h HIS 265 Ca 0.10 0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.62 1rfu h HIS 265 Cb 0.43 0.31 -0.15 0.00 -0.00 0.00 0.00 27.41 28.00 1rfu h HIS 265 CO -0.32 -0.32 -0.39 0.28 -0.00 0.00 0.00 177.93 177.18 1rfu h VAL 266 N -0.45 0.04 -0.52 2.45 2.07 -0.96 0.37 116.25 119.26 1rfu h VAL 266 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1rfu h VAL 266 Cb 0.42 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1rfu h VAL 266 CO -0.09 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.74 1rfu h LEU 267 N -0.05 0.62 -0.54 2.57 3.38 -0.58 -0.28 115.31 120.44 1rfu h LEU 267 Ca 0.30 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1rfu h LEU 267 Cb 0.58 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1rfu h LEU 267 CO -0.91 0.48 0.33 1.56 0.09 0.00 0.00 178.44 180.00 1rfu h GLN 268 N 0.69 0.65 -0.54 1.13 1.08 0.19 -0.85 115.11 117.46 1rfu h GLN 268 Ca 0.19 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.39 1rfu h GLN 268 Cb -0.02 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.22 1rfu h GLN 268 CO -0.04 0.43 0.30 -0.09 -0.95 0.00 0.00 178.83 178.48 1rfu h ARG 269 N 0.67 0.56 0.87 1.46 2.43 -0.49 -1.82 114.38 118.05 1rfu h ARG 269 Ca 0.21 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1rfu h ARG 269 Cb -0.01 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1rfu h ARG 269 CO -0.08 0.37 -0.43 1.15 -1.51 0.00 0.00 179.97 179.47 1rfu h THR 270 N 0.58 0.00 -0.70 0.20 2.02 -0.41 -2.63 112.91 111.97 1rfu h THR 270 Ca 0.23 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.60 1rfu h THR 270 Cb 0.10 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 1rfu h THR 270 CO -0.14 0.00 0.49 -0.29 0.37 0.00 0.00 175.52 175.96 1rfu h ILE 271 N -1.18 0.69 0.62 3.11 6.09 -1.08 0.25 117.51 126.02 1rfu h ILE 271 Ca -0.12 -0.04 -0.03 0.00 -1.37 0.00 0.00 64.86 63.30 1rfu h ILE 271 Cb 0.91 0.57 0.01 0.00 0.47 0.00 0.00 36.82 38.78 1rfu h ILE 271 CO 0.19 0.02 -0.30 0.50 -3.07 0.00 0.00 178.15 175.49 1rfu h LYS 272 N 0.11 -0.81 -0.95 2.19 3.64 -1.07 -0.41 116.57 119.27 1rfu h LYS 272 Ca 0.34 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.83 1rfu h LYS 272 Cb 1.19 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 33.12 1rfu h LYS 272 CO -0.04 -0.54 0.60 0.00 -2.27 0.00 0.00 179.45 177.21 1rfu h ALA 274 N 1.43 -0.33 0.00 0.00 0.00 -0.39 0.12 119.26 120.10 1rfu h ALA 274 Ca 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1rfu h ALA 274 Cb 0.16 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1rfu h ALA 274 CO -0.17 -0.77 -0.04 0.87 0.00 0.00 0.00 179.25 179.15 1rfu h LYS 275 N -0.37 0.00 -0.12 0.00 1.57 -0.56 -1.67 116.57 115.42 1rfu h LYS 275 Ca 0.09 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 1rfu h LYS 275 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1rfu h LYS 275 CO -0.33 0.04 -0.41 0.00 -0.57 0.00 0.00 179.45 178.18 1rfu h ALA 276 N 1.96 0.21 0.00 3.86 0.00 -0.17 0.10 119.26 125.22 1rfu h ALA 276 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1rfu h ALA 276 Cb 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1rfu h ALA 276 CO 0.00 0.33 -0.01 0.87 0.00 0.00 0.00 179.25 180.44 1rfu h LYS 277 N 0.09 0.00 0.03 0.00 1.57 -0.44 -3.25 116.57 114.57 1rfu h LYS 277 Ca -0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.43 1rfu h LYS 277 Cb 1.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 1rfu h LYS 277 CO 0.09 0.01 -1.95 -1.13 -0.57 0.00 0.00 179.45 175.90 1rfu n SER 278 N -3.11 1.14 0.00 0.86 3.41 -0.69 -5.08 113.62 110.15 1rfu n SER 278 Ca 0.02 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1rfu n SER 278 Cb 0.41 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.75 0.47 3.77 5.00 0.00 0.02 -4.67 105.19 111.53 1rfu n GLY 279 Ca -0.26 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.70 3.96 -1.59 1.61 2.02 -1.26 -2.69 118.70 118.05 1rfu s GLU 280 Ca 0.00 2.24 0.00 0.00 0.02 0.00 0.00 54.97 57.23 1rfu s GLU 280 Cb 0.00 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.45 1rfu s GLU 280 CO 0.00 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.16 1rfu n GLY 281 N 0.65 -0.44 2.94 -1.39 0.00 -1.26 -4.97 105.19 100.72 1rfu n GLY 281 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.91 0.36 -0.14 1.61 1.01 -1.10 -5.14 120.40 114.09 1rfu s VAL 282 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 1rfu s VAL 282 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1rfu s VAL 282 CO 0.00 0.11 0.48 -0.54 0.00 0.00 0.00 175.10 175.16 1rfu s LYS 283 N 0.04 4.30 0.28 2.72 -0.14 -1.26 -4.62 119.74 121.06 1rfu s LYS 283 Ca 0.00 0.43 -0.30 0.00 -1.36 0.00 0.00 55.97 54.75 1rfu s LYS 283 Cb -0.03 -3.47 -0.13 0.00 -1.68 0.00 0.00 37.83 32.51 1rfu s LYS 283 CO -0.00 0.08 1.28 -2.30 -0.76 0.00 0.00 175.35 173.64 1rfu n PRO 284 N 3.97 1.88 -2.53 -1.68 -0.02 -1.26 -4.98 135.00 130.38 1rfu n PRO 284 Ca -0.07 0.66 -0.28 0.00 -2.02 0.00 0.00 63.50 61.80 1rfu n PRO 284 Cb 0.51 -2.23 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.09 6.15 0.39 2.55 1.04 -1.26 -4.86 113.70 117.62 1rfu s SER 285 Ca 0.62 0.93 0.15 0.00 0.48 0.00 0.00 55.95 58.14 1rfu s SER 285 Cb -0.64 -2.18 1.00 0.00 0.10 0.00 0.00 66.02 64.30 1rfu s SER 285 CO 0.56 -0.68 1.82 1.55 0.98 0.00 0.00 173.24 177.47 1rfu h PRO 286 N 0.11 0.48 -0.67 4.02 0.13 -1.93 0.45 132.00 134.59 1rfu h PRO 286 Ca -0.46 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1rfu h PRO 286 Cb 1.21 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1rfu h PRO 286 CO 0.61 0.32 0.16 0.00 -0.23 0.00 0.00 178.00 178.86 1rfu h ALA 287 N 1.62 0.89 -0.00 -0.56 0.00 -1.96 -1.71 119.26 117.54 1rfu h ALA 287 Ca 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1rfu h ALA 287 Cb 1.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1rfu h ALA 287 CO -0.24 0.62 -0.01 1.04 0.00 0.00 0.00 179.25 180.65 1rfu n GLN 288 N -4.27 0.56 -0.11 0.00 6.02 0.13 -3.17 117.38 116.54 1rfu n GLN 288 Ca 0.05 -0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.12 1rfu n GLN 288 Cb 0.26 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.17 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 -1.21 3.07 -4.62 1.08 4.77 0.33 -4.22 117.00 116.20 1rfu n LEU 289 Ca 0.16 -1.32 -0.42 0.00 -0.03 0.00 0.00 56.01 54.41 1rfu n LEU 289 Cb 0.22 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1rfu n LEU 289 CO 0.22 0.62 0.63 -0.62 -1.33 0.00 0.00 177.39 176.91 1rfu n GLU 290 N 1.25 1.45 -2.12 3.23 -0.58 -1.14 -4.79 120.64 117.95 1rfu n GLU 290 Ca 0.15 0.52 -0.41 0.00 -0.42 0.00 0.00 57.16 57.00 1rfu n GLU 290 Cb 0.54 -2.08 -0.02 0.00 -0.57 0.00 0.00 31.44 29.31 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 -0.61 4.42 -1.24 -4.62 1.43 -1.26 -4.91 118.68 111.89 1rfu s LEU 291 Ca 0.62 2.63 -0.10 0.00 -1.03 0.00 0.00 54.13 56.25 1rfu s LEU 291 Cb -0.56 -3.64 0.18 0.00 0.03 0.00 0.00 46.19 42.20 1rfu s LEU 291 CO 0.57 -0.56 1.69 0.54 0.23 0.00 0.00 176.35 178.82 1rfu n ARG 292 N 1.47 3.62 0.00 1.70 1.74 -1.26 -4.74 116.66 119.18 1rfu n ARG 292 Ca 0.03 -3.73 0.00 0.00 -0.77 0.00 0.00 57.85 53.37 1rfu n ARG 292 Cb 0.42 -2.91 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 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 4.13 0.00 -0.26 5.56 1.56 -1.26 -2.66 117.12 124.18 1rfu n MET 293 Ca 0.37 0.19 0.08 0.00 -0.27 0.00 0.00 57.70 58.08 1rfu n MET 293 Cb 0.38 -1.13 0.17 0.00 2.15 0.00 0.00 33.22 34.79 1rfu n MET 293 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1rfu n VAL 294 N -1.08 -0.31 0.27 1.12 0.31 -1.26 0.31 118.33 117.68 1rfu n VAL 294 Ca 0.00 1.66 0.12 0.00 -0.01 0.00 0.00 64.34 66.10 1rfu n VAL 294 Cb 0.00 -2.36 0.76 0.00 -0.91 0.00 0.00 33.84 31.33 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 -0.66 5.55 7.50 -1.97 -1.97 115.11 123.57 1rfu h GLN 295 Ca 0.41 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.56 1rfu h GLN 295 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.28 1rfu h GLN 295 CO -0.72 0.04 0.00 0.43 -1.50 0.00 0.00 178.83 177.08 1rfu n SER 296 N -4.07 3.57 -0.32 1.46 7.64 0.90 -4.63 113.62 118.18 1rfu n SER 296 Ca -0.03 -2.03 -0.09 0.00 1.01 0.00 0.00 58.87 57.73 1rfu n SER 296 Cb 0.13 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 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 3.82 -0.11 -0.99 1.43 3.64 -0.99 -0.34 116.57 123.02 1rfu h LYS 297 Ca 0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1rfu h LYS 297 Cb 0.91 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.70 1rfu h LYS 297 CO 0.02 -0.07 0.65 0.87 -2.27 0.00 0.00 179.45 178.64 1rfu h LYS 298 N -0.12 1.22 -0.40 1.90 1.79 -1.85 -1.57 116.57 117.55 1rfu h LYS 298 Ca 0.19 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1rfu h LYS 298 Cb 0.51 -0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1rfu h LYS 298 CO -0.84 0.81 -0.01 -0.44 -1.08 0.00 0.00 179.45 177.89 1rfu h ASP 299 N 1.26 0.61 -0.43 0.86 3.45 -1.42 -1.84 116.42 118.91 1rfu h ASP 299 Ca 0.40 -0.13 -0.12 0.00 0.43 0.00 0.00 57.03 57.60 1rfu h ASP 299 Cb 0.00 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 1rfu h ASP 299 CO -0.13 0.68 -0.21 0.40 -1.57 0.00 0.00 179.24 178.42 1rfu h ILE 300 N 0.61 1.28 -0.13 0.35 2.04 -0.44 -0.23 117.51 120.98 1rfu h ILE 300 Ca 0.12 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 1rfu h ILE 300 Cb 0.39 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1rfu h ILE 300 CO 0.02 0.46 -0.15 -0.33 0.00 0.00 0.00 178.15 178.15 1rfu h GLU 301 N 0.72 0.20 -0.84 2.37 5.08 -0.91 -3.38 114.58 117.82 1rfu h GLU 301 Ca 0.09 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 1rfu h GLU 301 Cb 0.78 -0.03 -0.17 0.00 0.50 0.00 0.00 28.75 29.84 1rfu h GLU 301 CO 0.06 0.35 -0.52 0.43 -1.00 0.00 0.00 179.01 178.34 1rfu n SER 302 N -4.27 -3.17 -4.71 1.42 7.64 -0.73 -5.06 113.62 104.74 1rfu n SER 302 Ca -0.01 -2.98 -0.42 0.00 1.01 0.00 0.00 58.87 56.46 1rfu n SER 302 Cb 0.27 1.65 -0.03 0.00 -1.01 0.00 0.00 64.21 65.09 1rfu n SER 302 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rfu s PRO 303 N 0.77 4.42 0.38 1.43 0.04 -0.10 -4.69 135.00 137.25 1rfu s PRO 303 Ca 0.31 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 1rfu s PRO 303 Cb 0.06 -3.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 1rfu s PRO 303 CO -0.10 -0.29 1.15 -2.00 0.04 0.00 0.00 177.00 175.80 1rfu s GLU 304 N 1.38 4.19 -0.38 4.56 2.56 -1.26 -4.83 118.70 124.91 1rfu s GLU 304 Ca 0.57 1.81 -0.29 0.00 0.00 0.00 0.00 54.97 57.06 1rfu s GLU 304 Cb -0.27 -2.77 0.01 0.00 2.00 0.00 0.00 34.13 33.10 1rfu s GLU 304 CO 0.27 -0.19 1.34 0.42 -0.56 0.00 0.00 175.26 176.54 1rfu s ILE 305 N -1.39 4.02 -0.83 -3.70 1.09 -1.26 -4.66 121.20 114.47 1rfu s ILE 305 Ca 0.54 1.09 0.08 0.00 -1.10 0.00 0.00 60.65 61.26 1rfu s ILE 305 Cb -0.30 -4.23 0.03 0.00 -1.06 0.00 0.00 42.46 36.90 1rfu s ILE 305 CO 0.38 -0.68 0.64 1.33 -0.10 0.00 0.00 174.94 176.51 1rfu n VAL 306 N 6.72 0.00 -4.40 2.92 0.24 -1.26 -4.94 118.33 117.61 1rfu n VAL 306 Ca 0.15 -0.46 -0.23 0.00 -2.04 0.00 0.00 64.34 61.76 1rfu n VAL 306 Cb 0.48 1.12 -0.17 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.93 0.95 -0.26 3.34 -7.23 -1.26 -5.06 120.40 109.95 1rfu s VAL 307 Ca 0.08 -0.36 -0.07 0.00 -1.81 0.00 0.00 61.98 59.82 1rfu s VAL 307 Cb 0.06 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 36.09 1rfu s VAL 307 CO 0.15 0.32 0.06 -1.10 -0.31 0.00 0.00 175.10 174.22 1rfu s GLN 308 N 0.83 3.49 0.20 4.82 -1.52 -1.26 -4.86 119.66 121.36 1rfu s GLN 308 Ca -0.12 -0.58 -0.30 0.00 -1.95 0.00 0.00 55.36 52.41 1rfu s GLN 308 Cb -0.15 -3.30 -0.08 0.00 -0.22 0.00 0.00 33.01 29.25 1rfu s GLN 308 CO 0.02 -0.25 1.20 0.00 -0.25 0.00 0.00 175.29 176.01 1rfu s ALA 309 N 1.57 3.44 -0.14 6.09 0.00 -1.26 -4.76 121.76 126.71 1rfu s ALA 309 Ca 0.05 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 1rfu s ALA 309 Cb -0.15 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1rfu s ALA 309 CO 0.03 -0.38 0.30 0.95 0.00 0.00 0.00 175.76 176.66 1rfu s THR 310 N -0.20 5.29 -0.52 0.00 -4.23 0.30 -4.93 115.64 111.33 1rfu s THR 310 Ca 0.52 0.57 -0.21 0.00 -1.18 0.00 0.00 61.69 61.38 1rfu s THR 310 Cb -0.33 -3.63 0.05 0.00 1.34 0.00 0.00 72.50 69.93 1rfu s THR 310 CO 0.38 0.42 0.77 -0.69 -0.54 0.00 0.00 174.62 174.96 1rfu s VAL 311 N 0.19 4.65 -2.00 2.29 1.01 -1.26 -0.67 120.40 124.61 1rfu s VAL 311 Ca 0.17 -0.12 0.20 0.00 0.00 0.00 0.00 61.98 62.23 1rfu s VAL 311 Cb -0.13 -4.41 0.56 0.00 0.00 0.00 0.00 36.38 32.40 1rfu s VAL 311 CO 0.05 -0.94 1.56 0.18 0.00 0.00 0.00 175.10 175.95