#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 1.71 -2.20 3.17 4.07 -1.26 -4.80 120.64 121.32 1rfu n GLU 2 Ca 0.00 -0.18 -0.27 0.00 -0.06 0.00 0.00 57.16 56.65 1rfu n GLU 2 Cb 0.00 -0.60 0.06 0.00 -0.06 0.00 0.00 31.44 30.84 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 -0.29 2.44 -0.81 5.31 2.02 -1.26 -4.99 118.70 121.12 1rfu s GLU 3 Ca 0.00 -0.09 -0.06 0.00 0.02 0.00 0.00 54.97 54.84 1rfu s GLU 3 Cb 0.00 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 1rfu s GLU 3 CO 0.00 -1.10 2.89 0.39 0.02 0.00 0.00 175.26 177.47 1rfu n GLU 4 N -2.87 3.17 -2.67 1.61 -0.58 -1.26 -4.92 120.64 113.12 1rfu n GLU 4 Ca 0.07 -2.33 -0.43 0.00 -0.42 0.00 0.00 57.16 54.05 1rfu n GLU 4 Cb 0.59 -2.37 -0.02 0.00 -0.57 0.00 0.00 31.44 29.07 1rfu n GLU 4 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rfu s ARG 6 N 3.33 3.56 -0.11 0.00 3.52 -1.26 -0.01 118.95 127.99 1rfu s ARG 6 Ca 0.44 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 1rfu s ARG 6 Cb -0.14 -3.19 0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1rfu s ARG 6 CO 0.09 0.65 -0.13 0.08 -0.81 0.00 0.00 175.30 175.19 1rfu s VAL 7 N -0.68 1.34 -0.79 7.11 1.01 0.24 -1.24 120.40 127.40 1rfu s VAL 7 Ca 0.13 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1rfu s VAL 7 Cb -0.12 -1.26 0.17 0.00 0.00 0.00 0.00 36.38 35.17 1rfu s VAL 7 CO 0.02 0.41 0.83 -0.22 0.00 0.00 0.00 175.10 176.15 1rfu s LEU 8 N 1.19 5.99 -0.21 3.92 2.96 -1.05 -0.10 118.68 131.39 1rfu s LEU 8 Ca -0.03 -2.20 -0.20 0.00 -0.22 0.00 0.00 54.13 51.48 1rfu s LEU 8 Cb -0.14 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 1rfu s LEU 8 CO -0.04 -0.83 0.58 -0.55 -1.32 0.00 0.00 176.35 174.19 1rfu s SER 9 N 2.95 6.61 -0.36 3.68 0.15 0.03 -1.94 113.70 124.83 1rfu s SER 9 Ca 0.20 0.74 0.02 0.00 0.70 0.00 0.00 55.95 57.60 1rfu s SER 9 Cb -0.13 -2.32 0.10 0.00 -1.71 0.00 0.00 66.02 61.96 1rfu s SER 9 CO -0.05 -0.24 0.10 -0.63 1.20 0.00 0.00 173.24 173.62 1rfu s ILE 10 N 1.87 2.64 0.38 6.45 1.01 0.17 -1.04 121.20 132.68 1rfu s ILE 10 Ca 0.26 -2.24 -0.09 0.00 0.00 0.00 0.00 60.65 58.58 1rfu s ILE 10 Cb -0.16 -2.89 0.03 0.00 0.01 0.00 0.00 42.46 39.46 1rfu s ILE 10 CO 0.10 -0.63 0.66 -1.10 0.00 0.00 0.00 174.94 173.97 1rfu s GLN 11 N 0.99 2.13 0.71 2.79 -0.21 -0.78 -0.96 119.66 124.33 1rfu s GLN 11 Ca 0.10 -1.62 -0.15 0.00 0.02 0.00 0.00 55.36 53.71 1rfu s GLN 11 Cb -0.20 0.55 0.03 0.00 1.00 0.00 0.00 33.01 34.38 1rfu s GLN 11 CO -0.07 -0.95 1.17 -1.54 -2.12 0.00 0.00 175.29 171.78 1rfu s SER 12 N -3.16 4.49 -0.02 5.90 1.04 -1.21 -0.94 113.70 119.80 1rfu s SER 12 Ca 0.22 2.23 0.03 0.00 0.48 0.00 0.00 55.95 58.91 1rfu s SER 12 Cb -0.03 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.51 1rfu s SER 12 CO 0.16 -2.05 -0.11 -2.28 0.98 0.00 0.00 173.24 169.94 1rfu s HIS 13 N -2.12 1.03 0.01 5.02 2.46 0.33 0.11 115.29 122.13 1rfu s HIS 13 Ca 0.72 -0.24 0.07 0.00 0.47 0.00 0.00 55.06 56.08 1rfu s HIS 13 Cb -0.26 -0.70 -0.02 0.00 -0.13 0.00 0.00 32.58 31.47 1rfu s HIS 13 CO 0.44 -0.07 -0.22 0.14 -2.47 0.00 0.00 174.74 172.55 1rfu s VAL 14 N -0.00 1.77 0.06 0.89 -7.23 -1.26 -0.74 120.40 113.90 1rfu s VAL 14 Ca -0.00 -1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 58.82 1rfu s VAL 14 Cb -0.07 -1.49 -0.17 0.00 0.56 0.00 0.00 36.38 35.20 1rfu s VAL 14 CO 0.00 0.41 1.56 0.58 -0.31 0.00 0.00 175.10 177.34 1rfu h VAL 15 N 4.49 0.60 -3.24 1.32 2.07 -0.01 -3.43 116.25 118.04 1rfu h VAL 15 Ca -0.42 -0.15 -0.68 0.00 0.82 0.00 0.00 66.70 66.28 1rfu h VAL 15 Cb 1.14 0.67 -0.14 0.00 -1.52 0.00 0.00 31.29 31.44 1rfu h VAL 15 CO 0.46 0.03 -0.60 -0.60 0.02 0.00 0.00 177.57 176.88 1rfu s ARG 16 N -5.75 3.08 0.00 1.57 3.52 -0.32 -5.04 118.95 116.00 1rfu s ARG 16 Ca -0.16 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 1rfu s ARG 16 Cb 0.04 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 1rfu s ARG 16 CO 0.61 0.69 0.00 0.41 -0.81 0.00 0.00 175.30 176.20 1rfu n GLY 17 N 2.20 0.68 2.98 8.12 0.00 -1.26 -4.53 105.19 113.38 1rfu n GLY 17 Ca -0.19 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.31 2.80 -0.08 1.61 1.51 -1.26 -4.81 117.35 115.81 1rfu s TYR 18 Ca 0.00 -2.10 -0.30 0.00 -1.01 0.00 0.00 57.07 53.66 1rfu s TYR 18 Cb 0.00 -1.88 0.11 0.00 -0.11 0.00 0.00 41.96 40.09 1rfu s TYR 18 CO 0.00 -0.84 0.95 0.54 -1.11 0.00 0.00 175.55 175.09 1rfu s VAL 19 N 1.25 0.00 0.00 0.71 0.11 -1.26 -4.42 120.40 116.79 1rfu s VAL 19 Ca -0.03 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 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 -0.07 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 1rfu n GLY 20 N 0.21 1.21 0.37 6.54 0.00 -1.26 -2.25 105.19 110.02 1rfu n GLY 20 Ca -0.09 -0.60 0.18 0.00 0.00 0.00 0.00 46.02 45.51 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 9.08 0.06 -0.68 1.61 -0.26 0.50 -0.45 115.58 125.44 1rfu h ASN 21 Ca 0.00 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.78 1rfu h ASN 21 Cb 0.00 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.21 1rfu h ASN 21 CO 0.00 0.03 0.45 0.03 -1.06 0.00 0.00 177.43 176.88 1rfu h ARG 22 N 0.07 0.76 0.00 0.81 2.47 -1.60 0.21 114.38 117.10 1rfu h ARG 22 Ca 0.24 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1rfu h ARG 22 Cb 0.87 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1rfu h ARG 22 CO -0.02 0.50 -1.06 0.00 0.56 0.00 0.00 179.97 179.96 1rfu n ALA 23 N -2.45 2.72 -0.03 0.04 0.00 -0.25 -4.38 120.51 116.17 1rfu n ALA 23 Ca 0.09 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 53.09 1rfu n ALA 23 Cb 0.15 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.09 1.24 -0.10 0.00 0.00 -0.73 -4.43 120.51 114.39 1rfu n ALA 24 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.53 1rfu n ALA 24 Cb 0.52 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 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 0.03 1.29 0.25 0.00 2.02 -0.82 -3.08 112.91 112.60 1rfu h THR 25 Ca -0.40 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1rfu h THR 25 Cb 2.04 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.87 1rfu h THR 25 CO 0.06 0.39 -0.22 0.15 0.37 0.00 0.00 175.52 176.27 1rfu h PHE 26 N 0.39 -0.58 0.23 3.16 3.57 -1.80 -0.22 116.94 121.69 1rfu h PHE 26 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1rfu h PHE 26 Cb 0.64 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1rfu h PHE 26 CO 0.06 -0.33 -0.52 -1.35 -2.23 0.00 0.00 178.31 173.94 1rfu h PRO 27 N -0.49 -0.80 -0.87 6.41 0.11 -1.78 0.41 132.00 134.99 1rfu h PRO 27 Ca -0.01 0.05 0.17 0.00 0.11 0.00 0.00 66.00 66.32 1rfu h PRO 27 Cb 0.45 0.18 -0.10 0.00 0.11 0.00 0.00 31.00 31.63 1rfu h PRO 27 CO -0.03 -0.53 0.43 -0.07 -0.21 0.00 0.00 178.00 177.59 1rfu h LEU 28 N -0.83 0.49 0.54 2.35 3.38 -1.51 0.17 115.31 119.90 1rfu h LEU 28 Ca -0.02 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1rfu h LEU 28 Cb 0.79 0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.58 1rfu h LEU 28 CO -0.22 0.17 -0.26 1.56 0.09 0.00 0.00 178.44 179.78 1rfu h GLN 29 N 0.57 -0.69 0.00 1.13 4.20 0.05 -0.80 115.11 119.57 1rfu h GLN 29 Ca 0.49 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.25 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 -0.40 -0.39 0.01 1.33 -0.67 0.00 0.00 178.83 178.71 1rfu n VAL 30 N -5.30 1.00 0.60 -0.54 0.24 0.13 -0.21 118.33 114.25 1rfu n VAL 30 Ca -0.11 0.75 0.12 0.00 -2.04 0.00 0.00 64.34 63.06 1rfu n VAL 30 Cb 0.33 -1.75 0.18 0.00 -1.47 0.00 0.00 33.84 31.13 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 -2.27 0.68 0.00 1.34 4.77 0.57 -4.89 117.00 117.20 1rfu n LEU 31 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1rfu n LEU 31 Cb 0.04 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1rfu n LEU 31 CO 0.10 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1rfu n GLY 32 N 1.35 1.32 3.83 -0.72 0.00 0.71 -3.07 105.19 108.60 1rfu n GLY 32 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 3.32 -0.33 1.61 0.40 -0.60 -4.77 117.98 115.57 1rfu s PHE 33 Ca 0.00 1.52 -0.16 0.00 -0.60 0.00 0.00 56.93 57.69 1rfu s PHE 33 Cb 0.00 -2.86 -0.01 0.00 0.51 0.00 0.00 43.02 40.66 1rfu s PHE 33 CO 0.00 -0.41 0.42 -2.00 0.70 0.00 0.00 175.22 173.93 1rfu s GLU 34 N -3.73 3.67 -0.09 0.44 2.56 0.99 -4.28 118.70 118.26 1rfu s GLU 34 Ca 0.61 -0.24 -0.05 0.00 0.00 0.00 0.00 54.97 55.30 1rfu s GLU 34 Cb -0.11 -3.78 -0.04 0.00 2.00 0.00 0.00 34.13 32.20 1rfu s GLU 34 CO 0.25 -0.52 0.11 0.08 -0.56 0.00 0.00 175.26 174.62 1rfu s VAL 35 N 2.17 5.19 -0.27 3.70 1.01 -1.26 -0.59 120.40 130.34 1rfu s VAL 35 Ca 0.15 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1rfu s VAL 35 Cb -0.16 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1rfu s VAL 35 CO 0.12 0.56 -0.08 -1.81 0.00 0.00 0.00 175.10 173.89 1rfu s ASP 36 N -1.17 4.58 -0.25 3.32 1.11 0.86 -4.92 116.67 120.19 1rfu s ASP 36 Ca 0.17 -1.36 -0.09 0.00 0.18 0.00 0.00 52.55 51.45 1rfu s ASP 36 Cb -0.12 -1.60 -0.04 0.00 1.07 0.00 0.00 42.92 42.23 1rfu s ASP 36 CO 0.06 -0.21 0.12 0.00 1.18 0.00 0.00 175.17 176.32 1rfu s ALA 37 N 1.14 3.37 -0.18 5.23 0.00 -1.26 -0.79 121.76 129.27 1rfu s ALA 37 Ca -0.08 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 1rfu s ALA 37 Cb -0.20 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 1rfu s ALA 37 CO -0.04 -0.39 -0.07 0.08 0.00 0.00 0.00 175.76 175.34 1rfu s VAL 38 N 1.44 3.34 -0.45 0.00 1.01 -0.20 -5.01 120.40 120.52 1rfu s VAL 38 Ca 0.06 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1rfu s VAL 38 Cb -0.15 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.81 1rfu s VAL 38 CO 0.06 0.47 0.43 0.20 0.00 0.00 0.00 175.10 176.26 1rfu s ASN 39 N 0.92 6.17 0.57 3.32 0.01 -1.26 -1.87 114.94 122.80 1rfu s ASN 39 Ca -0.01 -1.01 0.26 0.00 -0.71 0.00 0.00 52.86 51.39 1rfu s ASN 39 Cb -0.15 -2.21 1.66 0.00 0.41 0.00 0.00 41.25 40.96 1rfu s ASN 39 CO 0.00 -0.63 2.21 0.77 -1.51 0.00 0.00 177.10 177.94 1rfu h SER 40 N 8.77 0.00 -5.04 -1.22 4.64 -1.32 -3.44 113.55 115.92 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 -0.14 0.00 -0.31 0.00 0.00 62.40 63.06 1rfu h SER 40 CO 0.84 0.00 0.02 0.68 -0.87 0.00 0.00 176.83 177.50 1rfu s VAL 41 N -4.75 0.04 -0.24 0.95 -7.23 -1.26 -1.53 120.40 106.38 1rfu s VAL 41 Ca -0.05 -0.35 -0.02 0.00 -1.81 0.00 0.00 61.98 59.74 1rfu s VAL 41 Cb 0.16 -1.07 0.08 0.00 0.56 0.00 0.00 36.38 36.10 1rfu s VAL 41 CO 0.58 -0.20 0.06 -1.58 -0.31 0.00 0.00 175.10 173.66 1rfu s GLN 42 N -3.44 0.66 0.33 4.82 0.74 -0.27 -0.51 119.66 121.99 1rfu s GLN 42 Ca 0.00 -0.66 0.09 0.00 0.05 0.00 0.00 55.36 54.84 1rfu s GLN 42 Cb 0.00 -2.00 -0.05 0.00 1.10 0.00 0.00 33.01 32.07 1rfu s GLN 42 CO -0.10 -0.79 0.07 -0.06 -0.55 0.00 0.00 175.29 173.87 1rfu s PHE 43 N 1.79 2.65 0.11 1.67 0.08 0.09 -0.81 117.98 123.55 1rfu s PHE 43 Ca 0.03 -0.37 -0.18 0.00 0.12 0.00 0.00 56.93 56.53 1rfu s PHE 43 Cb -0.17 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.72 1rfu s PHE 43 CO -0.16 0.43 1.64 0.66 -0.10 0.00 0.00 175.22 177.69 1rfu h SER 44 N 1.69 0.42 -0.69 1.36 4.64 -1.18 0.34 113.55 120.13 1rfu h SER 44 Ca -0.43 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 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 0.64 0.49 0.00 -0.46 -0.87 0.00 0.00 176.83 176.63 1rfu n ASN 45 N -4.72 0.00 -4.85 4.97 0.23 -1.26 -1.18 115.26 108.45 1rfu n ASN 45 Ca -0.02 -0.51 -0.35 0.00 -0.53 0.00 0.00 54.58 53.17 1rfu n ASN 45 Cb 0.15 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.79 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 -4.44 3.62 -0.75 -2.53 -3.43 -1.26 -4.90 115.29 101.59 1rfu s HIS 46 Ca 0.00 0.92 0.00 0.00 -0.80 0.00 0.00 55.06 55.18 1rfu s HIS 46 Cb 0.00 -2.25 0.00 0.00 -1.43 0.00 0.00 32.58 28.90 1rfu s HIS 46 CO 0.00 0.51 0.54 0.25 -2.00 0.00 0.00 174.74 174.04 1rfu n THR 47 N 1.03 0.59 0.26 -5.38 -2.24 -1.26 -0.61 114.28 106.66 1rfu n THR 47 Ca -0.08 0.28 0.15 0.00 -2.27 0.00 0.00 64.05 62.13 1rfu n THR 47 Cb 0.52 -1.28 0.62 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.90 3.38 0.00 -1.94 -3.44 103.07 99.17 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 -3.68 2.91 0.18 5.60 2.02 0.22 -4.91 117.35 119.69 1rfu s TYR 49 Ca 0.01 1.54 -0.14 0.00 -0.37 0.00 0.00 57.07 58.11 1rfu s TYR 49 Cb 0.09 -3.09 0.17 0.00 -0.40 0.00 0.00 41.96 38.73 1rfu s TYR 49 CO 0.57 -1.14 1.71 0.77 -1.57 0.00 0.00 175.55 175.89 1rfu h SER 50 N 0.92 -0.07 -3.14 2.29 0.02 -1.89 -3.42 113.55 108.27 1rfu h SER 50 Ca -0.48 0.09 -0.65 0.00 -0.84 0.00 0.00 61.79 59.91 1rfu h SER 50 Cb 1.23 0.14 -0.18 0.00 0.14 0.00 0.00 62.40 63.73 1rfu h SER 50 CO 0.58 -0.00 -0.81 -1.00 -1.14 0.00 0.00 176.83 174.45 1rfu s HIS 51 N -6.15 2.32 -0.29 3.45 3.76 -1.26 -5.12 115.29 112.00 1rfu s HIS 51 Ca -0.13 -0.35 -0.15 0.00 -0.15 0.00 0.00 55.06 54.28 1rfu s HIS 51 Cb 0.15 -1.14 0.12 0.00 1.11 0.00 0.00 32.58 32.82 1rfu s HIS 51 CO 0.72 0.51 0.84 1.67 -0.85 0.00 0.00 174.74 177.64 1rfu s TRP 52 N -1.71 -0.84 0.24 1.40 1.48 -1.26 -4.87 118.94 113.38 1rfu s TRP 52 Ca 0.21 1.62 0.06 0.00 -1.06 0.00 0.00 56.10 56.93 1rfu s TRP 52 Cb -0.08 0.50 -0.05 0.00 -1.16 0.00 0.00 33.47 32.68 1rfu s TRP 52 CO 0.10 -0.41 -0.08 0.15 -4.06 0.00 0.00 176.95 172.65 1rfu s LYS 53 N 1.72 1.42 0.00 3.25 1.02 -1.26 -4.98 119.74 120.91 1rfu s LYS 53 Ca -0.08 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.22 1rfu s LYS 53 Cb -0.05 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.23 1rfu s LYS 53 CO -0.17 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1rfu n GLY 54 N -0.47 -1.48 3.53 -3.33 0.00 -1.26 -0.62 105.19 101.56 1rfu n GLY 54 Ca -0.06 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.98 1.80 0.15 1.61 0.00 0.01 -4.96 119.66 116.29 1rfu s GLN 55 Ca 0.00 -1.93 0.06 0.00 -0.00 0.00 0.00 55.36 53.49 1rfu s GLN 55 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 33.01 31.34 1rfu s GLN 55 CO 0.00 0.11 -0.13 0.08 0.00 0.00 0.00 175.29 175.36 1rfu s VAL 56 N -2.67 1.38 0.15 3.63 1.01 -1.26 -1.11 120.40 121.53 1rfu s VAL 56 Ca 0.32 -1.96 0.05 0.00 0.00 0.00 0.00 61.98 60.39 1rfu s VAL 56 Cb 0.03 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1rfu s VAL 56 CO 0.16 -0.58 0.11 -0.76 0.00 0.00 0.00 175.10 174.03 1rfu s LEU 57 N -2.91 3.74 0.36 3.92 1.02 -0.58 -4.98 118.68 119.24 1rfu s LEU 57 Ca 0.15 -0.14 0.08 0.00 0.02 0.00 0.00 54.13 54.23 1rfu s LEU 57 Cb -0.01 -2.37 -0.07 0.00 0.02 0.00 0.00 46.19 43.76 1rfu s LEU 57 CO 0.03 0.09 -0.04 0.54 0.02 0.00 0.00 176.35 177.00 1rfu s ASN 58 N -2.95 3.52 0.33 2.29 2.20 -1.26 -4.81 114.94 114.25 1rfu s ASN 58 Ca 0.30 -1.28 0.18 0.00 -0.94 0.00 0.00 52.86 51.12 1rfu s ASN 58 Cb -0.10 -0.32 1.17 0.00 -2.00 0.00 0.00 41.25 40.00 1rfu s ASN 58 CO 0.22 -0.36 1.40 -1.54 -2.94 0.00 0.00 177.10 173.89 1rfu n SER 59 N -0.82 0.29 -0.09 3.54 3.41 -1.26 0.72 113.62 119.41 1rfu n SER 59 Ca -0.05 1.47 -0.13 0.00 -0.26 0.00 0.00 58.87 59.90 1rfu n SER 59 Cb 0.65 -0.71 -0.05 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 0.72 -0.14 4.04 3.45 -1.96 -0.07 116.42 122.46 1rfu h ASP 60 Ca 0.74 -0.47 -0.06 0.00 0.43 0.00 0.00 57.03 57.67 1rfu h ASP 60 Cb 1.95 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 40.51 1rfu h ASP 60 CO -0.69 1.04 -0.07 -0.33 -1.57 0.00 0.00 179.24 177.62 1rfu h GLU 61 N 0.40 0.44 -0.22 3.56 5.08 -0.08 -0.11 114.58 123.66 1rfu h GLU 61 Ca 0.04 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 58.10 1rfu h GLU 61 Cb 0.84 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1rfu h GLU 61 CO 0.07 0.53 -0.65 1.25 -1.00 0.00 0.00 179.01 179.21 1rfu h LEU 62 N 0.42 0.91 -0.04 1.33 5.85 -1.05 -3.13 115.31 119.60 1rfu h LEU 62 Ca 0.09 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1rfu h LEU 62 Cb 0.39 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1rfu h LEU 62 CO 0.02 1.32 -0.08 -0.61 -0.34 0.00 0.00 178.44 178.76 1rfu h GLN 63 N 0.58 -0.11 -0.51 1.25 5.75 -0.20 -1.07 115.11 120.80 1rfu h GLN 63 Ca -0.01 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1rfu h GLN 63 Cb 1.26 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 29.76 1rfu h GLN 63 CO 0.14 -0.08 -0.43 1.49 -2.65 0.00 0.00 178.83 177.30 1rfu h GLU 64 N -0.12 -0.16 -0.12 1.69 4.81 -1.06 0.95 114.58 120.57 1rfu h GLU 64 Ca 0.04 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1rfu h GLU 64 Cb 0.18 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1rfu h GLU 64 CO -0.11 -0.10 -0.26 -0.07 -0.73 0.00 0.00 179.01 177.74 1rfu h LEU 65 N -0.16 -0.81 -0.35 1.64 3.38 -1.46 0.33 115.31 117.87 1rfu h LEU 65 Ca 0.08 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1rfu h LEU 65 Cb 0.38 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1rfu h LEU 65 CO -0.57 -0.31 0.15 0.22 0.09 0.00 0.00 178.44 178.02 1rfu h TYR 66 N -0.34 0.28 -0.48 1.13 3.20 -0.31 -0.05 116.97 120.39 1rfu h TYR 66 Ca 0.10 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1rfu h TYR 66 Cb 0.48 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 1rfu h TYR 66 CO -0.36 0.14 0.18 -0.44 -1.64 0.00 0.00 178.16 176.04 1rfu h ASP 67 N 0.32 0.20 -0.29 -2.11 5.19 0.14 1.04 116.42 120.90 1rfu h ASP 67 Ca 0.15 0.05 0.06 0.00 -0.62 0.00 0.00 57.03 56.68 1rfu h ASP 67 Cb 0.09 0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.55 1rfu h ASP 67 CO -0.13 0.14 -0.35 1.23 -3.12 0.00 0.00 179.24 177.02 1rfu h GLY 68 N 0.36 -0.40 1.00 2.75 0.00 0.14 1.24 103.07 108.16 1rfu h GLY 68 Ca 0.23 0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.97 1rfu h GLY 68 CO -0.22 -0.21 0.26 1.41 0.00 0.00 0.00 176.54 177.78 1rfu h LEU 69 N -0.33 0.82 0.20 3.11 3.38 -0.36 -2.75 115.31 119.39 1rfu h LEU 69 Ca 0.14 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rfu h LEU 69 Cb 0.56 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1rfu h LEU 69 CO -0.48 0.75 -0.26 0.50 0.09 0.00 0.00 178.44 179.04 1rfu h LYS 70 N 0.84 -0.46 -1.32 1.13 1.63 0.32 -1.13 116.57 117.58 1rfu h LYS 70 Ca 0.20 0.03 0.46 0.00 -0.85 0.00 0.00 60.65 60.50 1rfu h LYS 70 Cb 0.17 0.11 -0.14 0.00 -0.60 0.00 0.00 32.23 31.76 1rfu h LYS 70 CO -0.02 -0.31 0.84 -0.07 -3.45 0.00 0.00 179.45 176.44 1rfu h LEU 71 N -0.48 0.23 -0.48 5.20 3.38 0.16 1.09 115.31 124.41 1rfu h LEU 71 Ca -0.02 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rfu h LEU 71 Cb 0.43 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1rfu h LEU 71 CO -0.07 -0.26 -0.28 0.59 0.09 0.00 0.00 178.44 178.51 1rfu n ASN 72 N -4.79 1.02 -1.86 -0.43 3.02 -0.83 -4.96 115.26 106.44 1rfu n ASN 72 Ca 0.39 -0.87 -0.12 0.00 -0.03 0.00 0.00 54.58 53.96 1rfu n ASN 72 Cb 1.50 0.15 0.03 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 -0.68 -1.24 -0.77 3.10 8.25 0.38 -4.92 115.22 119.34 1rfu n HIS 73 Ca 0.12 0.40 0.07 0.00 -0.26 0.00 0.00 57.72 58.04 1rfu n HIS 73 Cb 0.35 -2.90 0.11 0.00 1.12 0.00 0.00 29.99 28.67 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 -3.81 1.67 -2.13 1.59 0.24 -0.85 -4.80 118.33 110.24 1rfu n VAL 74 Ca -0.02 -1.88 -0.42 0.00 -2.04 0.00 0.00 64.34 59.98 1rfu n VAL 74 Cb 0.54 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.07 5.73 -3.69 -1.34 6.94 -1.25 -4.84 115.26 115.74 1rfu n ASN 75 Ca 0.12 -3.05 -0.24 0.00 -0.02 0.00 0.00 54.58 51.39 1rfu n ASN 75 Cb 0.56 -1.48 -0.17 0.00 -2.36 0.00 0.00 39.78 36.32 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 0.53 0.28 0.40 -3.83 -0.21 -1.26 -5.00 119.66 110.56 1rfu s GLN 76 Ca 0.45 0.05 0.04 0.00 0.02 0.00 0.00 55.36 55.91 1rfu s GLN 76 Cb 0.12 -1.25 -0.04 0.00 1.00 0.00 0.00 33.01 32.84 1rfu s GLN 76 CO -0.03 -0.46 0.07 0.71 -2.12 0.00 0.00 175.29 173.46 1rfu s TYR 77 N 2.05 1.92 -0.01 0.91 1.51 -1.26 -4.94 117.35 117.53 1rfu s TYR 77 Ca 0.03 -1.07 0.03 0.00 -1.01 0.00 0.00 57.07 55.05 1rfu s TYR 77 Cb -0.14 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 1rfu s TYR 77 CO -0.06 -0.05 0.04 -0.25 -1.11 0.00 0.00 175.55 174.12 1rfu n ASP 78 N -1.06 4.38 -4.18 2.29 8.00 -0.37 -4.81 116.55 120.81 1rfu n ASP 78 Ca -0.07 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.32 1rfu n ASP 78 Cb 0.66 0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 42.58 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 -2.14 1.05 -0.11 1.24 1.51 -0.86 -1.95 117.35 116.09 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 -0.49 0.05 0.00 -0.11 0.00 0.00 41.96 41.42 1rfu s TYR 79 CO 0.11 -0.65 0.25 0.08 -1.11 0.00 0.00 175.55 174.23 1rfu s VAL 80 N -4.13 -0.15 -0.11 0.71 1.01 -0.15 -2.54 120.40 115.04 1rfu s VAL 80 Ca 0.35 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1rfu s VAL 80 Cb 0.07 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1rfu s VAL 80 CO 0.10 0.08 -0.19 -0.22 0.00 0.00 0.00 175.10 174.87 1rfu s LEU 81 N 1.62 1.92 0.03 3.92 2.96 -0.82 0.35 118.68 128.66 1rfu s LEU 81 Ca -0.06 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1rfu s LEU 81 Cb -0.11 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 1rfu s LEU 81 CO -0.09 0.08 -0.13 0.42 -1.32 0.00 0.00 176.35 175.31 1rfu s THR 82 N 0.71 1.06 0.00 3.68 -4.23 -1.10 0.42 115.64 116.18 1rfu s THR 82 Ca -0.11 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1rfu s THR 82 Cb -0.16 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1rfu s THR 82 CO 0.02 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 1rfu n GLY 83 N 2.10 4.84 3.71 3.99 0.00 -0.13 -1.91 105.19 117.79 1rfu n GLY 83 Ca -0.17 -0.63 -0.61 0.00 0.00 0.00 0.00 46.02 44.60 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 1.86 -3.76 1.61 9.36 -1.26 -4.75 117.16 120.21 1rfu n TYR 84 Ca 0.00 0.79 -0.12 0.00 3.32 0.00 0.00 57.90 61.89 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 3.05 0.08 0.00 2.97 2.01 -1.26 -3.35 115.64 119.14 1rfu s THR 85 Ca 1.00 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1rfu s THR 85 Cb -1.23 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 70.40 1rfu s THR 85 CO 0.70 -0.37 0.29 0.54 -0.69 0.00 0.00 174.62 175.10 1rfu n ARG 86 N 0.70 0.11 -3.75 4.92 1.74 -1.26 -4.86 116.66 114.26 1rfu n ARG 86 Ca -0.19 -0.29 -0.37 0.00 -0.77 0.00 0.00 57.85 56.23 1rfu n ARG 86 Cb 0.59 -0.76 -0.12 0.00 -1.02 0.00 0.00 32.46 31.14 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 -0.10 5.19 0.34 0.55 3.68 -1.26 -4.63 116.67 120.44 1rfu s ASP 87 Ca 0.00 -0.83 0.02 0.00 2.13 0.00 0.00 52.55 53.87 1rfu s ASP 87 Cb 0.00 -1.88 0.60 0.00 -1.45 0.00 0.00 42.92 40.19 1rfu s ASP 87 CO 0.00 -0.23 1.99 0.50 0.13 0.00 0.00 175.17 177.56 1rfu h LYS 88 N 8.24 0.85 -0.40 4.34 3.64 -1.94 -0.47 116.57 130.84 1rfu h LYS 88 Ca -0.29 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1rfu h LYS 88 Cb 1.11 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1rfu h LYS 88 CO 0.61 0.58 0.17 0.77 -2.27 0.00 0.00 179.45 179.30 1rfu h SER 89 N 0.87 0.54 0.28 4.20 0.02 -1.96 -0.72 113.55 116.78 1rfu h SER 89 Ca 0.23 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1rfu h SER 89 Cb -0.07 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1rfu h SER 89 CO -0.05 0.55 -0.30 0.15 -1.14 0.00 0.00 176.83 176.04 1rfu h PHE 90 N 0.50 -0.80 -0.08 3.45 3.57 -1.68 -1.92 116.94 119.97 1rfu h PHE 90 Ca 0.13 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1rfu h PHE 90 Cb 0.17 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1rfu h PHE 90 CO -0.00 -0.43 -0.20 1.25 -2.23 0.00 0.00 178.31 176.70 1rfu h LEU 91 N -0.61 -0.60 -0.23 0.59 5.85 -0.93 -1.14 115.31 118.24 1rfu h LEU 91 Ca -0.01 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1rfu h LEU 91 Cb 0.57 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 1rfu h LEU 91 CO -0.07 -0.25 -0.26 0.00 -0.34 0.00 0.00 178.44 177.51 1rfu h ALA 92 N 0.70 -0.18 -0.85 1.25 0.00 -1.01 -1.18 119.26 117.97 1rfu h ALA 92 Ca 0.08 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1rfu h ALA 92 Cb 0.39 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1rfu h ALA 92 CO -0.24 -0.70 0.49 1.98 0.00 0.00 0.00 179.25 180.78 1rfu h MET 93 N -0.28 0.77 -0.90 0.00 1.85 -1.08 -0.62 114.93 114.67 1rfu h MET 93 Ca 0.13 -0.05 0.16 0.00 -0.61 0.00 0.00 59.70 59.34 1rfu h MET 93 Cb 0.48 -0.17 -0.10 0.00 0.43 0.00 0.00 31.60 32.24 1rfu h MET 93 CO -0.39 0.51 0.49 0.28 -0.40 0.00 0.00 176.91 177.40 1rfu h VAL 94 N 0.79 0.72 0.82 -5.77 2.07 0.05 0.39 116.25 115.33 1rfu h VAL 94 Ca 0.42 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 1rfu h VAL 94 Cb 0.43 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1rfu h VAL 94 CO -0.27 0.12 -0.46 0.58 0.02 0.00 0.00 177.57 177.57 1rfu h VAL 95 N 0.67 0.07 -0.75 2.57 2.07 -0.79 0.27 116.25 120.37 1rfu h VAL 95 Ca 0.50 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.19 1rfu h VAL 95 Cb 0.73 0.07 -0.13 0.00 -1.52 0.00 0.00 31.29 30.45 1rfu h VAL 95 CO -0.37 0.00 -0.00 0.44 0.02 0.00 0.00 177.57 177.66 1rfu h ASP 96 N -1.18 -0.36 0.10 0.57 3.45 -1.00 0.16 116.42 118.16 1rfu h ASP 96 Ca -0.11 0.19 0.02 0.00 0.43 0.00 0.00 57.03 57.56 1rfu h ASP 96 Cb 0.93 0.35 -0.03 0.00 -0.56 0.00 0.00 39.33 40.02 1rfu h ASP 96 CO 0.14 -0.18 -0.23 0.40 -1.57 0.00 0.00 179.24 177.80 1rfu h ILE 97 N 0.10 0.48 -0.52 0.35 2.04 -0.49 -0.30 117.51 119.16 1rfu h ILE 97 Ca 0.40 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.37 1rfu h ILE 97 Cb 0.71 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.18 1rfu h ILE 97 CO -0.66 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.05 1rfu h VAL 98 N -0.42 0.57 -0.35 1.67 2.07 0.21 -1.29 116.25 118.71 1rfu h VAL 98 Ca 0.03 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1rfu h VAL 98 Cb 0.45 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1rfu h VAL 98 CO -0.14 0.02 0.19 1.56 0.02 0.00 0.00 177.57 179.22 1rfu h GLN 99 N 0.10 0.49 -0.89 1.57 4.20 -0.28 0.13 115.11 120.43 1rfu h GLN 99 Ca 0.26 -0.06 0.12 0.00 0.06 0.00 0.00 58.65 59.03 1rfu h GLN 99 Cb 0.41 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 1rfu h GLN 99 CO -0.46 0.41 0.57 1.49 -0.67 0.00 0.00 178.83 180.18 1rfu h GLU 100 N 0.44 0.78 -0.21 1.46 4.81 -0.22 -0.98 114.58 120.66 1rfu h GLU 100 Ca 0.12 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 1rfu h GLU 100 Cb 0.06 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1rfu h GLU 100 CO -0.02 0.52 -0.55 -0.07 -0.73 0.00 0.00 179.01 178.15 1rfu h LEU 101 N 0.80 0.85 -1.96 1.64 3.38 -0.47 -2.83 115.31 116.73 1rfu h LEU 101 Ca 0.43 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1rfu h LEU 101 Cb 0.54 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1rfu h LEU 101 CO -0.19 1.27 -0.04 0.11 0.09 0.00 0.00 178.44 179.68 1rfu h LYS 102 N 0.48 0.00 0.10 1.13 1.57 0.48 0.24 116.57 120.56 1rfu h LYS 102 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1rfu h LYS 102 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1rfu h LYS 102 CO 0.12 0.04 -0.05 1.96 -0.57 0.00 0.00 179.45 180.95 1rfu h GLN 103 N 0.00 -0.13 -0.36 3.15 7.50 -1.17 -2.29 115.11 121.81 1rfu h GLN 103 Ca -0.00 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.17 1rfu h GLN 103 Cb 0.07 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 1rfu h GLN 103 CO 0.00 0.27 0.22 1.96 -1.50 0.00 0.00 178.83 179.78 1rfu h GLN 104 N -0.56 0.43 -4.19 1.46 4.20 -1.16 -3.37 115.11 111.92 1rfu h GLN 104 Ca -0.01 -0.03 -0.62 0.00 0.06 0.00 0.00 58.65 58.05 1rfu h GLN 104 Cb 0.45 -0.10 -0.40 0.00 0.30 0.00 0.00 27.48 27.74 1rfu h GLN 104 CO 0.02 0.29 -0.74 1.21 -0.67 0.00 0.00 178.83 178.94 1rfu s ASN 105 N -5.49 4.37 0.52 1.46 3.04 0.78 -4.96 114.94 114.65 1rfu s ASN 105 Ca -0.13 -1.84 0.28 0.00 0.04 0.00 0.00 52.86 51.21 1rfu s ASN 105 Cb 0.11 -1.27 1.42 0.00 -1.54 0.00 0.00 41.25 39.97 1rfu s ASN 105 CO 0.72 -0.38 2.05 -0.65 -3.04 0.00 0.00 177.10 175.79 1rfu h PRO 106 N 7.84 0.00 -0.00 0.43 0.11 -1.59 -2.45 132.00 136.34 1rfu h PRO 106 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 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 0.49 0.12 -0.02 0.54 -0.21 0.00 0.00 178.00 178.92 1rfu n ARG 107 N -3.55 0.68 -1.93 1.05 1.74 -1.26 -4.90 116.66 108.49 1rfu n ARG 107 Ca -0.01 -0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 1rfu n ARG 107 Cb 0.26 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.36 4.17 -0.10 0.55 0.20 -0.92 -4.97 118.68 115.24 1rfu s LEU 108 Ca 0.35 2.79 0.02 0.00 0.69 0.00 0.00 54.13 57.98 1rfu s LEU 108 Cb 0.21 -3.92 -0.01 0.00 -0.43 0.00 0.00 46.19 42.04 1rfu s LEU 108 CO 0.43 -1.01 -0.16 -0.69 -0.29 0.00 0.00 176.35 174.63 1rfu s VAL 109 N -1.23 2.77 -0.32 1.68 1.01 -0.82 -4.99 120.40 118.50 1rfu s VAL 109 Ca 0.59 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1rfu s VAL 109 Cb -0.41 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1rfu s VAL 109 CO 0.53 0.55 0.05 -0.47 0.00 0.00 0.00 175.10 175.75 1rfu s TYR 110 N 0.12 3.24 -0.21 5.22 6.04 -1.26 -0.98 117.35 129.52 1rfu s TYR 110 Ca -0.08 -1.59 -0.19 0.00 0.04 0.00 0.00 57.07 55.25 1rfu s TYR 110 Cb -0.15 -2.19 -0.03 0.00 -1.04 0.00 0.00 41.96 38.55 1rfu s TYR 110 CO 0.05 -0.75 0.57 0.08 -1.54 0.00 0.00 175.55 173.96 1rfu s VAL 111 N 1.34 5.06 -0.20 3.14 1.01 0.15 -1.58 120.40 129.32 1rfu s VAL 111 Ca -0.03 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1rfu s VAL 111 Cb -0.19 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1rfu s VAL 111 CO 0.01 0.13 -0.15 0.00 0.00 0.00 0.00 175.10 175.08 1rfu s ASP 113 N 1.30 6.17 -0.77 0.00 3.68 -0.80 -2.32 116.67 123.93 1rfu s ASP 113 Ca 0.03 -1.51 -0.11 0.00 2.13 0.00 0.00 52.55 53.09 1rfu s ASP 113 Cb -0.14 -2.20 -0.09 0.00 -1.45 0.00 0.00 42.92 39.03 1rfu s ASP 113 CO -0.10 -0.76 1.95 -0.81 0.13 0.00 0.00 175.17 175.58 1rfu n PRO 114 N 5.30 1.67 -1.96 4.34 -0.04 -1.26 -4.41 135.00 138.64 1rfu n PRO 114 Ca -0.13 -1.50 -0.42 0.00 -0.04 0.00 0.00 63.50 61.41 1rfu n PRO 114 Cb 0.42 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 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 4.16 3.40 0.00 0.52 1.01 -1.26 -4.71 120.40 123.52 1rfu s VAL 115 Ca 0.43 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1rfu s VAL 115 Cb 0.11 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1rfu s VAL 115 CO 0.03 -0.44 0.00 0.23 0.00 0.00 0.00 175.10 174.92 1rfu n MET 116 N 8.59 0.00 -2.81 2.72 2.81 -1.26 -4.72 117.12 122.45 1rfu n MET 116 Ca 0.24 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 56.05 1rfu n MET 116 Cb 0.48 -0.19 -0.01 0.00 -0.71 0.00 0.00 33.22 32.78 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 1.84 2.31 3.30 3.03 0.00 -1.26 0.10 105.19 114.51 1rfu n GLY 117 Ca 0.00 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.18 3.06 -0.94 1.61 2.15 -1.04 -4.71 116.67 114.61 1rfu s ASP 118 Ca 0.14 -0.48 -0.02 0.00 0.43 0.00 0.00 52.55 52.63 1rfu s ASP 118 Cb -0.01 -0.45 0.33 0.00 -0.30 0.00 0.00 42.92 42.48 1rfu s ASP 118 CO 0.10 0.30 1.95 0.00 -0.17 0.00 0.00 175.17 177.35 1rfu n GLN 119 N 2.55 4.14 -4.07 4.34 10.64 -1.26 -3.09 117.38 130.63 1rfu n GLN 119 Ca -0.16 -4.08 -0.30 0.00 -1.83 0.00 0.00 57.00 50.63 1rfu n GLN 119 Cb 0.51 -2.37 -0.07 0.00 -0.86 0.00 0.00 30.24 27.45 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 -4.12 2.81 -1.27 2.61 1.70 -1.26 -4.57 118.95 114.85 1rfu s ARG 120 Ca 0.46 -0.76 -0.03 0.00 -0.47 0.00 0.00 55.73 54.92 1rfu s ARG 120 Cb 0.31 -2.67 0.00 0.00 -0.57 0.00 0.00 34.95 32.02 1rfu s ARG 120 CO -0.27 0.54 0.44 0.09 -1.08 0.00 0.00 175.30 175.02 1rfu n ASN 121 N 0.31 -5.20 0.00 -2.89 4.13 -1.26 -4.44 115.26 105.91 1rfu n ASN 121 Ca -0.09 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 55.96 1rfu n ASN 121 Cb 0.52 -4.07 0.00 0.00 -1.54 0.00 0.00 39.78 34.69 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 -1.33 1.04 3.92 7.41 0.00 -1.26 -4.96 105.19 110.01 1rfu n GLY 122 Ca -0.10 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 3.43 0.00 1.61 -1.05 -1.26 -4.94 118.70 116.49 1rfu s GLU 123 Ca 0.00 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.35 1rfu s GLU 123 Cb 0.00 -3.02 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 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 0.18 2.84 3.04 -3.83 0.00 -1.26 -4.69 105.19 101.47 1rfu n GLY 124 Ca -0.05 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.26 0.53 4.61 0.00 -1.18 -5.02 121.76 118.44 1rfu s ALA 125 Ca 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.80 1rfu s ALA 125 Cb 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.02 1rfu s ALA 125 CO 0.00 -0.13 1.15 -1.64 0.00 0.00 0.00 175.76 175.14 1rfu s MET 126 N -0.70 3.39 -0.30 0.00 -1.94 -1.26 -2.51 119.30 115.99 1rfu s MET 126 Ca -0.08 1.67 0.08 0.00 -1.71 0.00 0.00 55.69 55.65 1rfu s MET 126 Cb -0.05 -2.07 0.49 0.00 2.01 0.00 0.00 34.83 35.21 1rfu s MET 126 CO 0.01 -0.83 1.43 2.48 -0.01 0.00 0.00 175.02 178.10 1rfu n TYR 127 N -1.18 1.24 -3.88 -0.03 0.18 0.29 -4.88 117.16 108.90 1rfu n TYR 127 Ca 0.11 -1.74 -0.09 0.00 1.88 0.00 0.00 57.90 58.06 1rfu n TYR 127 Cb 0.50 -0.49 -0.08 0.00 -0.38 0.00 0.00 39.34 38.89 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 -3.48 0.14 0.52 -3.48 -7.23 -1.14 -4.98 120.40 100.75 1rfu s VAL 128 Ca 0.46 -1.16 -0.21 0.00 -1.81 0.00 0.00 61.98 59.26 1rfu s VAL 128 Cb 0.41 -1.20 -0.07 0.00 0.56 0.00 0.00 36.38 36.08 1rfu s VAL 128 CO -0.01 -0.64 0.97 -2.65 -0.31 0.00 0.00 175.10 172.46 1rfu n PRO 129 N 0.24 1.11 0.14 4.82 -0.02 -1.26 -4.88 135.00 135.15 1rfu n PRO 129 Ca -0.16 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.77 1rfu n PRO 129 Cb 0.61 -2.10 0.44 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.96 0.18 0.00 2.55 5.19 -1.98 -3.07 116.42 120.25 1rfu h ASP 130 Ca -0.47 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1rfu h ASP 130 Cb 1.35 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1rfu h ASP 130 CO 0.53 0.29 0.01 -0.90 -3.12 0.00 0.00 179.24 176.06 1rfu n ASP 131 N -4.34 0.00 -0.00 6.45 5.68 -1.26 -1.38 116.55 121.70 1rfu n ASP 131 Ca -0.01 0.25 -0.08 0.00 -0.50 0.00 0.00 54.79 54.45 1rfu n ASP 131 Cb 0.22 -0.25 -0.13 0.00 -1.14 0.00 0.00 41.12 39.82 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 -0.13 -2.12 3.38 -1.91 -3.34 115.31 111.19 1rfu h LEU 132 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1rfu h LEU 132 Cb 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1rfu h LEU 132 CO 0.00 0.98 -0.18 0.25 0.09 0.00 0.00 178.44 179.57 1rfu h LEU 133 N 0.00 -0.56 -0.32 1.67 5.85 -1.46 0.31 115.31 120.80 1rfu h LEU 133 Ca -0.22 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1rfu h LEU 133 Cb 1.94 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 43.19 1rfu h LEU 133 CO 0.09 -0.23 0.07 1.55 -0.34 0.00 0.00 178.44 179.57 1rfu h PRO 134 N -0.23 0.18 -0.71 5.25 0.13 -1.73 0.44 132.00 135.33 1rfu h PRO 134 Ca 0.10 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.23 1rfu h PRO 134 Cb 0.37 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.42 1rfu h PRO 134 CO -0.27 0.12 0.46 0.28 -0.23 0.00 0.00 178.00 178.36 1rfu h VAL 135 N 0.18 1.15 -0.40 1.56 2.07 -1.45 0.26 116.25 119.61 1rfu h VAL 135 Ca 0.15 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1rfu h VAL 135 Cb 0.16 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1rfu h VAL 135 CO -0.20 0.17 0.02 1.88 0.02 0.00 0.00 177.57 179.46 1rfu h TYR 136 N 0.93 0.76 -0.40 1.57 -1.99 -0.05 -0.28 116.97 117.50 1rfu h TYR 136 Ca 0.27 -0.12 -0.08 0.00 2.00 0.00 0.00 58.73 60.80 1rfu h TYR 136 Cb -0.06 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.45 1rfu h TYR 136 CO -0.03 0.76 -0.06 -0.09 -0.00 0.00 0.00 178.16 178.74 1rfu h ARG 137 N 0.54 0.68 0.00 4.88 2.43 0.62 -1.30 114.38 122.23 1rfu h ARG 137 Ca 0.12 -0.19 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 1rfu h ARG 137 Cb 0.45 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1rfu h ARG 137 CO 0.02 0.74 -1.67 0.39 -1.51 0.00 0.00 179.97 177.94 1rfu n GLU 138 N -4.20 1.68 -0.07 0.20 1.02 0.83 -4.67 120.64 115.43 1rfu n GLU 138 Ca 0.02 -0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.04 1rfu n GLU 138 Cb 0.32 -1.27 -0.08 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.25 1.19 -0.05 3.49 4.76 -0.19 -4.66 118.16 120.45 1rfu n LYS 139 Ca -0.13 0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.34 1rfu n LYS 139 Cb 0.68 -1.31 -0.01 0.00 -1.84 0.00 0.00 35.03 32.55 1rfu n LYS 139 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1rfu h VAL 140 N 0.00 0.00 -0.99 -0.18 2.07 -1.33 -3.37 116.25 112.45 1rfu h VAL 140 Ca -0.34 -0.84 0.24 0.00 0.82 0.00 0.00 66.70 66.58 1rfu h VAL 140 Cb 1.64 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.29 1rfu h VAL 140 CO -0.02 0.00 0.56 0.58 0.02 0.00 0.00 177.57 178.72 1rfu h VAL 141 N -0.84 0.54 -0.64 2.57 2.07 -1.50 -1.18 116.25 117.27 1rfu h VAL 141 Ca 0.00 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.46 1rfu h VAL 141 Cb 0.21 -0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 29.79 1rfu h VAL 141 CO 0.00 0.10 -0.05 -0.65 0.02 0.00 0.00 177.57 176.99 1rfu h PRO 142 N 0.57 0.07 -0.04 1.57 0.11 -1.74 -1.43 132.00 131.10 1rfu h PRO 142 Ca 0.63 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1rfu h PRO 142 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1rfu h PRO 142 CO -0.47 0.05 0.00 1.55 -0.21 0.00 0.00 178.00 178.91 1rfu n VAL 143 N -5.34 0.04 -3.09 3.15 3.14 -0.48 -4.36 118.33 111.38 1rfu n VAL 143 Ca 0.09 -0.22 -0.38 0.00 -2.96 0.00 0.00 64.34 60.87 1rfu n VAL 143 Cb 0.36 0.28 -0.06 0.00 -1.06 0.00 0.00 33.84 33.37 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 3.48 -0.13 1.55 0.00 -0.54 -4.86 121.76 119.31 1rfu s ALA 144 Ca 0.38 0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.75 1rfu s ALA 144 Cb 0.20 -2.84 -0.19 0.00 0.00 0.00 0.00 23.12 20.30 1rfu s ALA 144 CO 0.32 0.33 0.63 -0.25 0.00 0.00 0.00 175.76 176.79 1rfu n ASP 145 N 1.43 0.56 -3.68 0.00 8.00 -0.62 -1.57 116.55 120.68 1rfu n ASP 145 Ca -0.06 0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 1rfu n ASP 145 Cb 0.50 0.61 -0.12 0.00 -0.02 0.00 0.00 41.12 42.08 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 -2.94 -0.36 0.03 0.53 1.01 -1.03 -2.63 121.20 115.81 1rfu s ILE 146 Ca -0.05 0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.87 1rfu s ILE 146 Cb 0.09 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 1rfu s ILE 146 CO 0.83 0.09 -0.15 0.27 0.00 0.00 0.00 174.94 175.98 1rfu s ILE 147 N 2.16 3.04 -0.56 2.92 -4.36 -0.95 0.94 121.20 124.38 1rfu s ILE 147 Ca -0.02 -1.06 0.06 0.00 -0.26 0.00 0.00 60.65 59.37 1rfu s ILE 147 Cb -0.11 -2.29 0.31 0.00 1.25 0.00 0.00 42.46 41.62 1rfu s ILE 147 CO -0.10 0.36 0.84 0.35 0.24 0.00 0.00 174.94 176.63 1rfu n THR 148 N 1.57 2.26 -1.58 8.37 -2.24 -0.98 -1.54 114.28 120.14 1rfu n THR 148 Ca -0.16 -5.27 -0.31 0.00 -2.27 0.00 0.00 64.05 56.04 1rfu n THR 148 Cb 0.52 -1.47 0.06 0.00 -2.10 0.00 0.00 70.33 67.35 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 -2.95 2.63 0.30 -0.78 0.04 -0.90 -4.54 135.00 128.80 1rfu s PRO 149 Ca 0.45 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 1rfu s PRO 149 Cb 0.25 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.74 1rfu s PRO 149 CO -0.10 -1.28 0.72 1.21 0.04 0.00 0.00 177.00 177.59 1rfu s ASN 150 N -3.86 6.80 0.18 6.66 3.04 -1.26 -2.03 114.94 124.47 1rfu s ASN 150 Ca 0.59 1.27 -0.16 0.00 0.04 0.00 0.00 52.86 54.60 1rfu s ASN 150 Cb -0.14 -2.37 0.14 0.00 -1.54 0.00 0.00 41.25 37.34 1rfu s ASN 150 CO 0.55 -0.16 1.67 -0.61 -3.04 0.00 0.00 177.10 175.50 1rfu h GLN 151 N 2.44 0.03 0.24 0.43 4.15 -1.90 1.63 115.11 122.12 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 28.84 1rfu h GLN 151 CO 0.66 0.02 -0.31 0.35 -1.93 0.00 0.00 178.83 177.61 1rfu h PHE 152 N 0.03 -0.88 -0.46 3.99 3.57 -1.93 0.14 116.94 121.41 1rfu h PHE 152 Ca 0.22 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.83 1rfu h PHE 152 Cb 0.34 0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.34 1rfu h PHE 152 CO -0.37 -0.40 -0.12 0.93 -2.23 0.00 0.00 178.31 176.13 1rfu h GLU 153 N -0.57 -0.00 -0.66 1.11 5.08 -1.65 0.19 114.58 118.08 1rfu h GLU 153 Ca -0.03 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 1rfu h GLU 153 Cb 0.51 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.66 1rfu h GLU 153 CO -0.08 -0.00 0.13 0.00 -1.00 0.00 0.00 179.01 178.06 1rfu h ALA 154 N 1.46 0.80 0.35 3.43 0.00 0.27 0.25 119.26 125.82 1rfu h ALA 154 Ca 0.22 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1rfu h ALA 154 Cb 0.34 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1rfu h ALA 154 CO -0.47 -0.33 -0.17 0.93 0.00 0.00 0.00 179.25 179.21 1rfu h GLU 155 N 0.24 -0.46 -1.01 0.00 5.08 0.81 -2.25 114.58 117.00 1rfu h GLU 155 Ca 0.36 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 59.02 1rfu h GLU 155 Cb 0.58 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.80 1rfu h GLU 155 CO -0.47 -0.29 0.59 1.25 -1.00 0.00 0.00 179.01 179.10 1rfu h LEU 156 N -0.51 0.62 0.12 1.33 5.85 0.23 0.33 115.31 123.27 1rfu h LEU 156 Ca -0.05 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1rfu h LEU 156 Cb 0.38 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1rfu h LEU 156 CO 0.08 0.03 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.08 1rfu h LEU 157 N 0.49 -0.13 0.00 2.25 3.38 -0.43 -3.21 115.31 117.65 1rfu h LEU 157 Ca 0.67 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1rfu h LEU 157 Cb 1.39 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1rfu h LEU 157 CO -0.51 0.48 0.00 0.35 0.09 0.00 0.00 178.44 178.85 1rfu n THR 158 N -4.86 0.00 -0.91 0.22 -2.24 -0.87 -4.87 114.28 100.75 1rfu n THR 158 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1rfu n THR 158 Cb 0.26 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.45 0.00 0.00 3.38 0.00 0.11 -4.94 105.19 104.19 1rfu n GLY 159 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.58 3.43 -3.70 1.61 1.74 -0.97 -4.95 116.66 114.39 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 0.42 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.75 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 0.31 0.16 5.56 2.20 -1.26 -4.42 119.74 124.88 1rfu s LYS 161 Ca 0.00 0.71 -0.21 0.00 -0.36 0.00 0.00 55.97 56.11 1rfu s LYS 161 Cb 0.00 -0.04 -0.08 0.00 -1.51 0.00 0.00 37.83 36.20 1rfu s LYS 161 CO 0.00 -0.17 0.69 0.42 -0.36 0.00 0.00 175.35 175.93 1rfu s ILE 162 N 1.45 4.57 0.00 5.43 -1.09 -1.26 -4.92 121.20 125.38 1rfu s ILE 162 Ca -0.09 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.69 1rfu s ILE 162 Cb -0.09 -3.94 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1rfu s ILE 162 CO -0.11 0.38 0.43 0.00 -1.23 0.00 0.00 174.94 174.41 1rfu n HIS 163 N 1.21 0.00 -3.51 3.97 1.44 -1.26 -5.04 115.22 112.03 1rfu n HIS 163 Ca -0.05 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.55 1rfu n HIS 163 Cb 0.50 0.07 -0.03 0.00 0.12 0.00 0.00 29.99 30.65 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 -0.17 -0.43 0.21 4.39 1.04 -1.26 -4.99 113.70 112.50 1rfu s SER 164 Ca 0.00 0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.52 1rfu s SER 164 Cb 0.00 0.41 0.25 0.00 0.10 0.00 0.00 66.02 66.78 1rfu s SER 164 CO 0.00 -0.59 1.79 -0.61 0.98 0.00 0.00 173.24 174.81 1rfu h GLN 165 N 2.26 0.59 0.03 4.02 4.15 -1.99 -0.78 115.11 123.39 1rfu h GLN 165 Ca -0.23 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1rfu h GLN 165 Cb 1.22 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.77 1rfu h GLN 165 CO 0.33 0.39 -0.07 1.49 -1.93 0.00 0.00 178.83 179.04 1rfu h GLU 166 N 0.61 -0.10 -0.64 1.69 4.81 -1.98 0.40 114.58 119.36 1rfu h GLU 166 Ca 0.30 0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.78 1rfu h GLU 166 Cb 0.24 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.53 1rfu h GLU 166 CO -0.21 -0.07 0.27 0.39 -0.73 0.00 0.00 179.01 178.66 1rfu n GLU 167 N -2.77 -0.04 0.05 1.92 -0.58 -0.91 0.13 120.64 118.44 1rfu n GLU 167 Ca -0.01 0.90 -0.02 0.00 -0.42 0.00 0.00 57.16 57.60 1rfu n GLU 167 Cb 0.06 -1.57 -0.01 0.00 -0.57 0.00 0.00 31.44 29.35 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 1.28 -0.79 -1.39 0.62 0.00 0.77 -2.83 119.26 116.91 1rfu h ALA 168 Ca 0.51 -0.03 0.47 0.00 0.00 0.00 0.00 54.91 55.86 1rfu h ALA 168 Cb 1.29 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 1rfu h ALA 168 CO -0.52 -0.78 0.91 1.28 0.00 0.00 0.00 179.25 180.14 1rfu n LEU 169 N -2.47 0.18 0.18 0.00 4.77 0.34 -0.11 117.00 119.89 1rfu n LEU 169 Ca -0.02 1.29 -0.13 0.00 -0.03 0.00 0.00 56.01 57.12 1rfu n LEU 169 Cb 0.05 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.43 1rfu n LEU 169 CO 0.04 -1.39 0.53 -0.33 -1.33 0.00 0.00 177.39 174.91 1rfu h GLU 170 N 0.00 -0.46 -1.02 3.23 5.08 -0.97 -2.15 114.58 118.29 1rfu h GLU 170 Ca 0.85 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 59.51 1rfu h GLU 170 Cb 2.83 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 32.06 1rfu h GLU 170 CO -0.40 -0.15 0.61 0.28 -1.00 0.00 0.00 179.01 178.34 1rfu h VAL 171 N -0.81 0.47 -0.55 3.13 2.07 -0.26 1.25 116.25 121.56 1rfu h VAL 171 Ca -0.05 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1rfu h VAL 171 Cb 0.53 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1rfu h VAL 171 CO 0.08 0.09 -0.03 0.24 0.02 0.00 0.00 177.57 177.97 1rfu h MET 172 N 0.49 0.96 -0.06 1.57 2.86 -1.24 1.19 114.93 120.70 1rfu h MET 172 Ca 0.66 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1rfu h MET 172 Cb 1.39 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 1rfu h MET 172 CO -0.48 0.97 0.03 -0.44 1.06 0.00 0.00 176.91 178.05 1rfu h ASP 173 N 0.88 0.08 -0.72 1.22 3.45 0.19 0.26 116.42 121.77 1rfu h ASP 173 Ca 0.15 -0.10 0.04 0.00 0.43 0.00 0.00 57.03 57.55 1rfu h ASP 173 Cb 0.56 -0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 39.26 1rfu h ASP 173 CO 0.03 0.16 0.44 0.24 -1.57 0.00 0.00 179.24 178.54 1rfu h MET 174 N -0.01 0.80 0.40 3.56 2.86 0.97 -0.61 114.93 122.91 1rfu h MET 174 Ca 0.02 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1rfu h MET 174 Cb 0.10 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1rfu h MET 174 CO -0.00 0.53 -0.19 -0.07 1.06 0.00 0.00 176.91 178.23 1rfu h LEU 175 N 0.83 -0.46 -0.71 1.22 3.38 0.19 -2.33 115.31 117.42 1rfu h LEU 175 Ca 0.30 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.38 1rfu h LEU 175 Cb 0.10 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 40.85 1rfu h LEU 175 CO -0.14 -0.30 -0.41 0.45 0.09 0.00 0.00 178.44 178.13 1rfu h HIS 176 N -0.58 -1.20 -1.24 1.13 3.86 -0.01 0.38 115.15 117.48 1rfu h HIS 176 Ca -0.06 0.09 0.36 0.00 -1.16 0.00 0.00 60.37 59.60 1rfu h HIS 176 Cb 0.44 0.63 -0.05 0.00 1.06 0.00 0.00 27.41 29.49 1rfu h HIS 176 CO -0.04 -0.41 0.92 1.03 0.86 0.00 0.00 177.93 180.29 1rfu h SER 177 N -0.14 0.00 1.80 2.45 0.87 -0.70 1.26 113.55 119.09 1rfu h SER 177 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1rfu h SER 177 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1rfu h SER 177 CO -0.78 0.00 -0.17 0.24 -0.53 0.00 0.00 176.83 175.60 1rfu h MET 178 N 0.00 0.00 0.00 2.24 2.07 0.26 -3.48 114.93 116.02 1rfu h MET 178 Ca 0.59 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.22 1rfu h MET 178 Cb 2.42 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 32.15 1rfu h MET 178 CO -0.01 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.38 1rfu n GLY 179 N 1.13 -0.66 3.51 8.32 0.00 0.43 -3.51 105.19 114.42 1rfu n GLY 179 Ca 0.03 0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 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 0.84 -0.01 1.61 -0.04 -0.61 -4.87 135.00 131.92 1rfu n PRO 180 Ca 0.00 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 1rfu n PRO 180 Cb 0.00 -1.69 -0.11 0.00 -0.04 0.00 0.00 33.50 31.66 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 0.99 1.29 -4.11 3.54 8.00 -1.13 -3.98 116.55 121.17 1rfu n ASP 181 Ca 0.11 -0.17 -0.31 0.00 0.71 0.00 0.00 54.79 55.13 1rfu n ASP 181 Cb 0.39 1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 42.89 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 -2.95 1.81 -0.04 -3.53 2.01 -1.08 -0.54 115.64 111.33 1rfu s THR 182 Ca -0.03 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1rfu s THR 182 Cb 0.10 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1rfu s THR 182 CO 0.64 0.50 -0.10 -0.69 -0.69 0.00 0.00 174.62 174.29 1rfu s VAL 183 N 1.03 0.87 -0.05 3.82 1.01 0.12 -2.24 120.40 124.96 1rfu s VAL 183 Ca -0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1rfu s VAL 183 Cb -0.15 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1rfu s VAL 183 CO -0.04 0.28 0.01 -0.69 0.00 0.00 0.00 175.10 174.65 1rfu s VAL 184 N 0.32 0.22 -0.54 2.92 1.01 -0.59 0.41 120.40 124.15 1rfu s VAL 184 Ca -0.06 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 1rfu s VAL 184 Cb -0.11 -0.36 0.09 0.00 0.00 0.00 0.00 36.38 36.00 1rfu s VAL 184 CO 0.01 0.20 0.62 -0.63 0.00 0.00 0.00 175.10 175.30 1rfu s ILE 185 N 1.58 4.93 0.64 2.22 -1.09 0.71 -2.12 121.20 128.07 1rfu s ILE 185 Ca -0.02 -0.88 0.30 0.00 -2.23 0.00 0.00 60.65 57.82 1rfu s ILE 185 Cb -0.13 -4.36 0.32 0.00 -1.58 0.00 0.00 42.46 36.71 1rfu s ILE 185 CO -0.03 -0.92 1.93 0.71 -1.23 0.00 0.00 174.94 175.39 1rfu h THR 186 N 5.88 0.11 0.00 2.92 1.35 -1.68 -2.23 112.91 119.27 1rfu h THR 186 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1rfu h THR 186 Cb 1.09 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1rfu h THR 186 CO 1.02 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.75 1rfu n SER 187 N -3.13 0.00 -3.64 5.36 3.41 -1.25 -4.56 113.62 109.81 1rfu n SER 187 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.61 1rfu n SER 187 Cb 0.44 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.74 -2.97 113.70 115.44 1rfu s SER 188 Ca 0.00 -0.33 0.25 0.00 0.48 0.00 0.00 55.95 56.35 1rfu s SER 188 Cb 0.00 0.33 0.54 0.00 0.10 0.00 0.00 66.02 67.00 1rfu s SER 188 CO 0.00 -0.63 1.68 0.78 0.98 0.00 0.00 173.24 176.05 1rfu h ASN 189 N 2.00 0.00 -0.22 7.02 2.35 -1.96 -3.31 115.58 121.46 1rfu h ASN 189 Ca -0.27 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.29 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 0.05 0.13 0.18 -1.65 0.00 0.00 177.43 176.42 1rfu n LEU 190 N -3.12 0.22 -4.54 1.61 4.32 -1.26 -4.44 117.00 109.80 1rfu n LEU 190 Ca 0.03 0.26 -0.19 0.00 -0.02 0.00 0.00 56.01 56.09 1rfu n LEU 190 Cb 0.50 -0.20 -0.11 0.00 -1.62 0.00 0.00 43.42 41.99 1rfu n LEU 190 CO 0.33 -0.22 1.58 0.18 -1.22 0.00 0.00 177.39 178.04 1rfu n LEU 191 N 0.79 0.99 -4.57 2.23 4.77 -1.26 -4.80 117.00 115.15 1rfu n LEU 191 Ca 0.06 -1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 54.57 1rfu n LEU 191 Cb -0.01 -1.34 0.01 0.00 -2.33 0.00 0.00 43.42 39.75 1rfu n LEU 191 CO 0.19 -2.12 0.45 -1.20 -1.33 0.00 0.00 177.39 173.38 1rfu n SER 192 N 14.77 0.69 0.26 -1.43 7.64 -1.26 -4.80 113.62 129.48 1rfu n SER 192 Ca 0.52 0.98 0.18 0.00 1.01 0.00 0.00 58.87 61.56 1rfu n SER 192 Cb 0.35 -1.30 0.86 0.00 -1.01 0.00 0.00 64.21 63.12 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 1.26 0.00 -2.93 1.43 0.11 -1.98 -3.39 132.00 126.51 1rfu h PRO 193 Ca -0.44 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.45 1rfu h PRO 193 Cb 1.36 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.14 1rfu h PRO 193 CO 0.55 0.00 -0.54 -0.98 -0.21 0.00 0.00 178.00 176.82 1rfu s ARG 194 N -4.31 0.13 0.22 1.05 1.70 -1.26 -5.11 118.95 111.37 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 0.12 -0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.41 1rfu s ARG 194 CO 0.40 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.76 1rfu n GLY 195 N 5.15 -3.55 0.08 3.88 0.00 -1.26 -4.57 105.19 104.91 1rfu n GLY 195 Ca -0.09 -1.02 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 0.50 0.00 -0.64 1.61 0.87 -2.00 -3.31 113.55 110.58 1rfu h SER 196 Ca 0.00 -0.16 -0.38 0.00 -1.23 0.00 0.00 61.79 60.01 1rfu h SER 196 Cb 0.10 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 61.91 1rfu h SER 196 CO 0.00 0.08 0.42 -0.90 -0.53 0.00 0.00 176.83 175.90 1rfu n ASP 197 N -2.20 6.51 -3.71 6.23 5.68 -1.26 -4.82 116.55 122.98 1rfu n ASP 197 Ca 0.03 -3.12 -0.12 0.00 -0.50 0.00 0.00 54.79 51.08 1rfu n ASP 197 Cb 0.45 -1.11 -0.13 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 -1.83 -0.39 -0.00 2.11 1.51 -1.25 -3.04 117.35 114.45 1rfu s TYR 198 Ca 0.40 0.90 -0.18 0.00 -1.01 0.00 0.00 57.07 57.19 1rfu s TYR 198 Cb 0.29 0.06 -0.06 0.00 -0.11 0.00 0.00 41.96 42.15 1rfu s TYR 198 CO -0.06 -0.28 0.51 -0.51 -1.11 0.00 0.00 175.55 174.10 1rfu s LEU 199 N 1.57 4.44 -0.01 -1.29 1.43 0.17 -4.74 118.68 120.24 1rfu s LEU 199 Ca -0.07 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.10 1rfu s LEU 199 Cb -0.11 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 1rfu s LEU 199 CO -0.09 0.19 0.02 -0.32 0.23 0.00 0.00 176.35 176.39 1rfu s MET 200 N -0.54 2.88 -0.01 1.70 -2.45 -1.25 0.10 119.30 119.73 1rfu s MET 200 Ca 0.27 -0.56 0.01 0.00 -1.25 0.00 0.00 55.69 54.16 1rfu s MET 200 Cb -0.18 -2.73 0.00 0.00 1.25 0.00 0.00 34.83 33.18 1rfu s MET 200 CO 0.15 0.64 -0.05 0.00 1.05 0.00 0.00 175.02 176.81 1rfu s ALA 201 N -1.11 0.48 -0.07 4.11 0.00 0.40 -1.79 121.76 123.78 1rfu s ALA 201 Ca 0.20 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.05 1rfu s ALA 201 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1rfu s ALA 201 CO 0.11 0.08 -0.24 -0.51 0.00 0.00 0.00 175.76 175.20 1rfu s LEU 202 N 0.15 2.14 -0.08 0.00 1.43 -0.84 -0.43 118.68 121.05 1rfu s LEU 202 Ca -0.01 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1rfu s LEU 202 Cb -0.05 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1rfu s LEU 202 CO -0.00 0.22 -0.09 -0.83 0.23 0.00 0.00 176.35 175.87 1rfu s GLY 203 N -0.01 0.77 0.04 -3.19 0.00 0.69 -0.21 107.32 105.42 1rfu s GLY 203 Ca -0.08 -0.43 0.06 0.00 0.00 0.00 0.00 44.72 44.27 1rfu s GLY 203 CO 0.05 0.47 -0.15 -0.45 0.00 0.00 0.00 173.10 173.02 1rfu s SER 204 N 1.17 4.02 -0.07 1.64 0.15 0.16 -0.82 113.70 119.96 1rfu s SER 204 Ca -0.05 -0.37 -0.06 0.00 0.70 0.00 0.00 55.95 56.16 1rfu s SER 204 Cb -0.14 -0.72 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 1rfu s SER 204 CO -0.02 0.25 0.18 -1.58 1.20 0.00 0.00 173.24 173.27 1rfu s GLN 205 N -1.53 0.20 -0.09 5.44 0.74 0.29 0.14 119.66 124.86 1rfu s GLN 205 Ca 0.16 0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.85 1rfu s GLN 205 Cb -0.11 0.06 0.02 0.00 1.10 0.00 0.00 33.01 34.09 1rfu s GLN 205 CO 0.07 -0.05 -0.09 0.50 -0.55 0.00 0.00 175.29 175.18 1rfu s ARG 206 N 0.26 1.48 0.05 1.67 3.52 0.30 -0.06 118.95 126.17 1rfu s ARG 206 Ca -0.01 -0.28 0.08 0.00 -0.13 0.00 0.00 55.73 55.38 1rfu s ARG 206 Cb -0.03 -1.42 -0.03 0.00 -1.56 0.00 0.00 34.95 31.92 1rfu s ARG 206 CO -0.01 -0.15 -0.22 0.99 -0.81 0.00 0.00 175.30 175.11 1rfu s THR 207 N 1.27 1.74 -0.44 4.11 2.01 -0.10 -4.81 115.64 119.42 1rfu s THR 207 Ca -0.04 -1.24 -0.07 0.00 0.31 0.00 0.00 61.69 60.65 1rfu s THR 207 Cb -0.14 -1.51 0.11 0.00 0.01 0.00 0.00 72.50 70.96 1rfu s THR 207 CO -0.03 0.23 0.28 -0.13 -0.69 0.00 0.00 174.62 174.28 1rfu s ARG 208 N -1.20 2.39 0.96 4.92 1.81 -1.26 -0.28 118.95 126.28 1rfu s ARG 208 Ca 0.08 -1.70 -0.11 0.00 -1.72 0.00 0.00 55.73 52.29 1rfu s ARG 208 Cb -0.09 -3.79 0.16 0.00 -0.45 0.00 0.00 34.95 30.77 1rfu s ARG 208 CO 0.02 -1.10 1.05 0.00 -0.68 0.00 0.00 175.30 174.59 1rfu n ALA 209 N 4.83 -1.31 1.24 2.13 0.00 0.45 -4.85 120.51 123.00 1rfu n ALA 209 Ca -0.07 -0.65 0.08 0.00 0.00 0.00 0.00 53.44 52.80 1rfu n ALA 209 Cb 0.41 -2.13 0.49 0.00 0.00 0.00 0.00 19.45 18.23 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 -4.08 0.62 -0.23 0.00 -0.02 -1.26 -1.64 135.00 128.40 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 0.53 -1.42 0.19 0.00 -0.02 0.00 0.00 33.50 32.78 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 -0.92 3.16 0.00 2.55 5.68 -1.26 -4.97 116.55 120.80 1rfu n ASP 211 Ca 0.12 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1rfu n ASP 211 Cb 0.06 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 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 2.84 3.74 6.12 0.00 -0.65 -5.01 105.19 112.92 1rfu n GLY 212 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 0.43 2.82 -4.17 1.61 3.41 -1.26 -4.68 113.62 111.78 1rfu n SER 213 Ca 0.00 1.02 -0.37 0.00 -0.26 0.00 0.00 58.87 59.26 1rfu n SER 213 Cb 0.00 -1.58 -0.11 0.00 -0.26 0.00 0.00 64.21 62.26 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 -1.26 3.51 -0.12 -3.33 -7.23 -1.26 -0.41 120.40 110.30 1rfu s VAL 214 Ca 0.68 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1rfu s VAL 214 Cb -0.43 -3.28 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 1rfu s VAL 214 CO 0.52 -0.56 1.10 0.54 -0.31 0.00 0.00 175.10 176.39 1rfu s VAL 215 N 1.24 4.54 -0.09 1.32 0.11 0.61 -4.86 120.40 123.27 1rfu s VAL 215 Ca 0.05 1.84 0.00 0.00 -2.93 0.00 0.00 61.98 60.93 1rfu s VAL 215 Cb -0.23 -4.18 -0.03 0.00 -1.53 0.00 0.00 36.38 30.42 1rfu s VAL 215 CO -0.02 -0.04 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.74 1rfu s THR 216 N 2.44 3.63 -0.12 5.04 2.01 -1.26 -0.92 115.64 126.46 1rfu s THR 216 Ca 0.51 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1rfu s THR 216 Cb -0.20 -2.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.80 1rfu s THR 216 CO 0.17 0.57 -0.21 -1.10 -0.69 0.00 0.00 174.62 173.36 1rfu s GLN 217 N -0.46 3.12 -0.05 4.92 -0.21 0.92 -5.01 119.66 122.89 1rfu s GLN 217 Ca 0.07 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.62 1rfu s GLN 217 Cb -0.12 -2.41 0.02 0.00 1.00 0.00 0.00 33.01 31.50 1rfu s GLN 217 CO 0.02 0.14 -0.04 1.03 -2.12 0.00 0.00 175.29 174.32 1rfu s ARG 218 N 0.46 0.79 0.00 2.91 1.81 -1.26 -0.54 118.95 123.12 1rfu s ARG 218 Ca -0.14 -0.07 0.00 0.00 -1.72 0.00 0.00 55.73 53.80 1rfu s ARG 218 Cb -0.17 -0.87 -0.00 0.00 -0.45 0.00 0.00 34.95 33.45 1rfu s ARG 218 CO 0.06 -0.13 -0.01 0.96 -0.68 0.00 0.00 175.30 175.50 1rfu s ILE 219 N 1.13 0.05 0.13 1.52 -4.36 0.00 -1.15 121.20 118.52 1rfu s ILE 219 Ca -0.08 -0.07 0.10 0.00 -0.26 0.00 0.00 60.65 60.35 1rfu s ILE 219 Cb -0.14 -0.06 -0.04 0.00 1.25 0.00 0.00 42.46 43.47 1rfu s ILE 219 CO -0.01 -0.01 -0.23 -0.60 0.24 0.00 0.00 174.94 174.32 1rfu s ARG 220 N -0.08 1.56 -0.03 0.37 3.52 -0.06 -0.22 118.95 124.01 1rfu s ARG 220 Ca -0.01 -1.30 -0.03 0.00 -0.13 0.00 0.00 55.73 54.26 1rfu s ARG 220 Cb -0.01 -1.98 0.01 0.00 -1.56 0.00 0.00 34.95 31.41 1rfu s ARG 220 CO -0.00 0.46 0.08 -1.64 -0.81 0.00 0.00 175.30 173.38 1rfu s MET 221 N -2.16 0.10 -0.28 5.12 -1.94 0.42 -0.68 119.30 119.88 1rfu s MET 221 Ca 0.16 0.09 -0.07 0.00 -1.71 0.00 0.00 55.69 54.16 1rfu s MET 221 Cb -0.10 0.05 -0.01 0.00 2.01 0.00 0.00 34.83 36.78 1rfu s MET 221 CO 0.08 -0.01 0.08 -1.21 -0.01 0.00 0.00 175.02 173.95 1rfu s GLU 222 N -0.01 3.33 0.07 2.03 2.02 -1.26 -0.45 118.70 124.44 1rfu s GLU 222 Ca -0.01 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.33 1rfu s GLU 222 Cb -0.01 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 1rfu s GLU 222 CO 0.00 -0.34 0.02 -1.64 0.02 0.00 0.00 175.26 173.31 1rfu s MET 223 N 1.56 2.65 -0.32 1.61 -1.94 0.29 -4.86 119.30 118.28 1rfu s MET 223 Ca 0.04 -0.77 -0.27 0.00 -1.71 0.00 0.00 55.69 52.98 1rfu s MET 223 Cb -0.16 -2.60 0.01 0.00 2.01 0.00 0.00 34.83 34.09 1rfu s MET 223 CO 0.03 0.56 0.97 -1.58 -0.01 0.00 0.00 175.02 174.99 1rfu s HIS 224 N -1.29 3.17 0.24 -0.03 2.46 -1.26 0.41 115.29 118.99 1rfu s HIS 224 Ca 0.25 1.06 -0.30 0.00 0.47 0.00 0.00 55.06 56.55 1rfu s HIS 224 Cb -0.12 -3.52 -0.10 0.00 -0.13 0.00 0.00 32.58 28.71 1rfu s HIS 224 CO 0.18 -0.70 1.36 0.21 -2.47 0.00 0.00 174.74 173.32 1rfu s LYS 225 N 3.41 4.34 -0.10 2.88 2.20 -1.17 -4.80 119.74 126.49 1rfu s LYS 225 Ca 0.41 2.17 -0.09 0.00 -0.36 0.00 0.00 55.97 58.10 1rfu s LYS 225 Cb -0.13 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1rfu s LYS 225 CO 0.14 -0.30 0.20 0.08 -0.36 0.00 0.00 175.35 175.12 1rfu s VAL 226 N -0.17 5.39 -0.25 4.02 1.01 -1.26 -4.88 120.40 124.26 1rfu s VAL 226 Ca 0.56 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1rfu s VAL 226 Cb -0.39 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1rfu s VAL 226 CO 0.43 0.59 1.84 -0.67 0.00 0.00 0.00 175.10 177.29 1rfu n ASP 227 N 2.13 2.80 -3.69 3.32 -0.08 -1.26 -4.74 116.55 115.03 1rfu n ASP 227 Ca -0.18 -2.04 -0.04 0.00 -1.51 0.00 0.00 54.79 51.02 1rfu n ASP 227 Cb 0.54 -0.73 -0.01 0.00 2.34 0.00 0.00 41.12 43.25 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 2.74 -1.72 -0.36 -1.67 0.00 -1.26 -5.02 121.76 114.47 1rfu s ALA 228 Ca 0.29 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 1rfu s ALA 228 Cb 0.12 0.58 0.08 0.00 0.00 0.00 0.00 23.12 23.89 1rfu s ALA 228 CO -0.01 -0.96 0.11 0.08 0.00 0.00 0.00 175.76 174.98 1rfu s VAL 229 N -3.21 3.16 0.52 0.00 1.01 -1.26 -5.10 120.40 115.53 1rfu s VAL 229 Ca 0.11 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.36 1rfu s VAL 229 Cb -0.01 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1rfu s VAL 229 CO -0.01 -0.42 0.74 -0.36 0.00 0.00 0.00 175.10 175.05 1rfu s PHE 230 N 1.19 2.94 -0.02 5.22 0.40 -1.26 -4.97 117.98 121.48 1rfu s PHE 230 Ca 0.02 0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.37 1rfu s PHE 230 Cb -0.21 -2.64 0.03 0.00 0.51 0.00 0.00 43.02 40.71 1rfu s PHE 230 CO -0.03 -0.74 0.03 0.08 0.70 0.00 0.00 175.22 175.27 1rfu s VAL 231 N -2.69 -0.05 0.00 -0.44 1.01 -1.26 -4.76 120.40 112.21 1rfu s VAL 231 Ca 0.55 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1rfu s VAL 231 Cb -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.21 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 4.06 2.24 0.22 4.51 0.00 -1.26 -4.70 105.19 110.26 1rfu n GLY 232 Ca -0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 0.55 -0.46 2.61 1.35 -1.86 -1.05 112.91 114.05 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 0.55 -0.10 0.00 -1.73 0.00 0.00 68.15 66.88 1rfu h THR 233 CO 0.00 0.00 -0.26 1.23 -0.25 0.00 0.00 175.52 176.24 1rfu h GLY 234 N -0.26 -0.01 0.86 5.82 0.00 -1.95 0.00 103.07 107.54 1rfu h GLY 234 Ca 0.08 0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.77 1rfu h GLY 234 CO -0.22 -0.21 0.53 -0.55 0.00 0.00 0.00 176.54 176.09 1rfu h ASP 235 N -0.16 0.87 -0.59 0.19 3.32 -1.83 -1.85 116.42 116.37 1rfu h ASP 235 Ca 0.21 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1rfu h ASP 235 Cb 0.50 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1rfu h ASP 235 CO -0.56 0.59 0.36 0.25 -1.72 0.00 0.00 179.24 178.17 1rfu h LEU 236 N 1.02 0.70 0.04 1.55 5.85 -0.05 -2.58 115.31 121.83 1rfu h LEU 236 Ca 0.33 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1rfu h LEU 236 Cb 0.03 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1rfu h LEU 236 CO -0.12 0.54 -0.07 0.15 -0.34 0.00 0.00 178.44 178.60 1rfu h PHE 237 N 0.79 -0.21 -0.69 1.25 3.57 -0.30 -1.40 116.94 119.95 1rfu h PHE 237 Ca 0.21 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.84 1rfu h PHE 237 Cb -0.03 0.08 -0.13 0.00 2.79 0.00 0.00 35.95 38.66 1rfu h PHE 237 CO -0.02 -0.09 -0.26 0.00 -2.23 0.00 0.00 178.31 175.71 1rfu h ALA 238 N -1.49 0.24 -0.21 2.41 0.00 -1.36 1.48 119.26 120.32 1rfu h ALA 238 Ca -0.00 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1rfu h ALA 238 Cb 0.11 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1rfu h ALA 238 CO -0.03 -0.54 -0.33 0.00 0.00 0.00 0.00 179.25 178.35 1rfu h ALA 239 N 1.39 -0.33 -0.66 0.00 0.00 -1.32 1.62 119.26 119.97 1rfu h ALA 239 Ca 0.30 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1rfu h ALA 239 Cb 0.55 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1rfu h ALA 239 CO -0.74 -0.78 0.08 0.52 0.00 0.00 0.00 179.25 178.32 1rfu h MET 240 N -0.36 1.12 -0.78 0.00 2.07 0.07 -1.46 114.93 115.58 1rfu h MET 240 Ca 0.12 -0.31 0.06 0.00 -2.07 0.00 0.00 59.70 57.49 1rfu h MET 240 Cb 0.54 -0.12 -0.06 0.00 -1.87 0.00 0.00 31.60 30.09 1rfu h MET 240 CO -0.41 1.03 0.47 1.25 1.07 0.00 0.00 176.91 180.32 1rfu h LEU 241 N 1.03 0.72 -1.95 1.22 5.85 0.39 0.38 115.31 122.96 1rfu h LEU 241 Ca 0.20 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1rfu h LEU 241 Cb 0.48 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1rfu h LEU 241 CO 0.02 0.46 0.14 0.25 -0.34 0.00 0.00 178.44 178.97 1rfu h LEU 242 N 0.85 0.06 0.11 2.25 6.46 0.33 -2.23 115.31 123.14 1rfu h LEU 242 Ca 0.35 -0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.81 1rfu h LEU 242 Cb 0.18 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1rfu h LEU 242 CO -0.18 0.04 -1.45 0.00 -0.62 0.00 0.00 178.44 176.23 1rfu h ALA 243 N 1.90 0.26 0.14 1.25 0.00 0.27 -3.25 119.26 119.83 1rfu h ALA 243 Ca 0.09 -1.07 -0.26 0.00 0.00 0.00 0.00 54.91 53.67 1rfu h ALA 243 Cb 0.27 0.21 0.03 0.00 0.00 0.00 0.00 17.79 18.30 1rfu h ALA 243 CO -0.01 1.13 -1.12 -1.49 0.00 0.00 0.00 179.25 177.76 1rfu h TRP 244 N 0.06 0.85 0.00 0.00 -0.00 -0.84 -3.13 115.95 112.89 1rfu h TRP 244 Ca -0.21 -0.56 -0.01 0.00 -0.00 0.00 0.00 58.89 58.11 1rfu h TRP 244 Cb 1.99 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.16 31.10 1rfu h TRP 244 CO 0.06 1.42 -0.05 1.79 -0.00 0.00 0.00 178.44 181.66 1rfu h THR 245 N 0.04 0.70 -0.00 1.49 1.35 -1.58 0.68 112.91 115.58 1rfu h THR 245 Ca -0.18 -0.18 -0.10 0.00 -0.55 0.00 0.00 66.41 65.40 1rfu h THR 245 Cb 1.84 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 1rfu h THR 245 CO 0.21 0.05 -0.46 -0.74 -0.25 0.00 0.00 175.52 174.33 1rfu h HIS 246 N 0.00 0.01 0.15 4.73 -0.00 -1.59 0.21 115.15 118.66 1rfu h HIS 246 Ca -0.00 -0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 1rfu h HIS 246 Cb 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1rfu h HIS 246 CO 0.00 0.46 -1.54 -0.22 -0.00 0.00 0.00 177.93 176.64 1rfu h LYS 247 N 0.00 0.32 -2.44 5.26 1.63 0.14 -3.40 116.57 118.08 1rfu h LYS 247 Ca -0.00 -0.54 -0.59 0.00 -0.85 0.00 0.00 60.65 58.66 1rfu h LYS 247 Cb 0.81 0.20 -0.40 0.00 -0.60 0.00 0.00 32.23 32.24 1rfu h LYS 247 CO 0.06 1.21 -0.80 0.72 -3.45 0.00 0.00 179.45 177.19 1rfu n HIS 248 N -3.52 1.51 0.33 1.91 8.25 0.15 -4.94 115.22 118.90 1rfu n HIS 248 Ca -0.17 -3.86 0.21 0.00 -0.26 0.00 0.00 57.72 53.64 1rfu n HIS 248 Cb 1.06 -0.32 1.15 0.00 1.12 0.00 0.00 29.99 32.99 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 4.84 0.00 -0.66 -0.41 0.13 -1.17 -2.63 132.00 132.10 1rfu h PRO 249 Ca 0.18 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.84 1rfu h PRO 249 Cb 0.80 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.51 1rfu h PRO 249 CO 0.60 0.00 -0.89 0.09 -0.23 0.00 0.00 178.00 177.58 1rfu n ASN 250 N -3.25 4.07 -2.82 1.44 3.02 -1.26 -4.78 115.26 111.68 1rfu n ASN 250 Ca -0.03 -3.34 -0.11 0.00 -0.03 0.00 0.00 54.58 51.07 1rfu n ASN 250 Cb 0.08 -0.38 0.03 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.69 0.42 -0.33 6.41 2.85 -0.99 -4.95 115.26 117.99 1rfu n ASN 251 Ca 0.35 -2.85 0.22 0.00 -0.11 0.00 0.00 54.58 52.19 1rfu n ASN 251 Cb 0.93 -0.10 0.44 0.00 1.24 0.00 0.00 39.78 42.29 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 2.85 0.43 0.55 1.20 5.85 -1.87 0.33 115.31 124.66 1rfu h LEU 252 Ca -0.07 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1rfu h LEU 252 Cb 1.13 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1rfu h LEU 252 CO 0.38 -0.14 -0.42 0.50 -0.34 0.00 0.00 178.44 178.42 1rfu h LYS 253 N 0.31 -0.91 0.12 1.25 3.64 -1.95 0.15 116.57 119.18 1rfu h LYS 253 Ca 0.71 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 60.16 1rfu h LYS 253 Cb 1.58 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 33.58 1rfu h LYS 253 CO -0.62 -0.60 -0.19 0.28 -2.27 0.00 0.00 179.45 176.05 1rfu h VAL 254 N -0.94 0.56 -0.80 2.00 2.07 -0.90 0.61 116.25 118.84 1rfu h VAL 254 Ca -0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 1rfu h VAL 254 Cb 0.78 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 1rfu h VAL 254 CO 0.02 0.00 0.41 0.00 0.02 0.00 0.00 177.57 178.02 1rfu h ALA 255 N 0.43 1.17 -0.23 1.67 0.00 -0.66 0.17 119.26 121.81 1rfu h ALA 255 Ca 0.02 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1rfu h ALA 255 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rfu h ALA 255 CO -0.10 -0.06 -0.42 0.00 0.00 0.00 0.00 179.25 178.67 1rfu h GLU 257 N 0.45 -0.33 0.22 0.00 5.08 0.30 -1.85 114.58 118.45 1rfu h GLU 257 Ca 0.04 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1rfu h GLU 257 Cb 0.92 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 1rfu h GLU 257 CO 0.08 -0.10 -0.45 0.87 -1.00 0.00 0.00 179.01 178.41 1rfu h LYS 258 N -0.50 -0.70 -0.07 2.33 1.57 -1.09 -0.61 116.57 117.50 1rfu h LYS 258 Ca -0.03 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1rfu h LYS 258 Cb 0.37 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1rfu h LYS 258 CO 0.06 -0.47 -0.04 1.15 -0.57 0.00 0.00 179.45 179.58 1rfu h THR 259 N -0.73 0.00 -0.71 -0.16 2.02 -1.51 0.11 112.91 111.94 1rfu h THR 259 Ca -0.02 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.34 1rfu h THR 259 Cb 0.69 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1rfu h THR 259 CO -0.18 0.00 0.49 0.58 0.37 0.00 0.00 175.52 176.78 1rfu h VAL 260 N -0.00 0.70 0.29 3.16 2.07 -1.28 0.15 116.25 121.33 1rfu h VAL 260 Ca 0.01 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1rfu h VAL 260 Cb 0.03 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1rfu h VAL 260 CO -0.07 0.02 -0.14 0.28 0.02 0.00 0.00 177.57 177.69 1rfu h SER 261 N 0.13 -0.33 -0.54 0.57 0.02 0.75 0.58 113.55 114.73 1rfu h SER 261 Ca 0.34 -0.16 0.11 0.00 -0.84 0.00 0.00 61.79 61.24 1rfu h SER 261 Cb 1.16 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 63.68 1rfu h SER 261 CO -0.05 -0.02 -0.13 0.00 -1.14 0.00 0.00 176.83 175.50 1rfu h ALA 262 N -0.06 0.36 -0.60 3.77 0.00 0.51 0.28 119.26 123.52 1rfu h ALA 262 Ca -0.04 0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.20 1rfu h ALA 262 Cb 0.47 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 1rfu h ALA 262 CO 0.07 -0.43 -0.17 1.98 0.00 0.00 0.00 179.25 180.70 1rfu h MET 263 N 0.00 -0.02 0.14 0.00 4.05 -0.47 0.59 114.93 119.22 1rfu h MET 263 Ca 0.26 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.68 1rfu h MET 263 Cb 0.40 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1rfu h MET 263 CO -0.55 -0.01 -0.12 1.25 0.23 0.00 0.00 176.91 177.71 1rfu h HIS 264 N -0.02 -0.31 0.32 1.39 6.17 0.19 -0.05 115.15 122.83 1rfu h HIS 264 Ca 0.28 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.36 1rfu h HIS 264 Cb 0.45 0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.49 1rfu h HIS 264 CO -0.50 -0.19 -0.29 0.45 0.71 0.00 0.00 177.93 178.11 1rfu h HIS 265 N -0.28 -0.80 -0.99 5.26 -0.00 -0.32 0.57 115.15 118.59 1rfu h HIS 265 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.48 1rfu h HIS 265 Cb 0.26 0.31 -0.13 0.00 -0.00 0.00 0.00 27.41 27.85 1rfu h HIS 265 CO -0.12 -0.39 -0.54 0.28 -0.00 0.00 0.00 177.93 177.16 1rfu h VAL 266 N -0.60 0.00 -0.38 2.45 2.07 -0.88 0.13 116.25 119.05 1rfu h VAL 266 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1rfu h VAL 266 Cb 0.51 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 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 -0.00 0.31 -0.46 2.57 3.38 -0.71 -0.89 115.31 119.50 1rfu h LEU 267 Ca 0.21 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1rfu h LEU 267 Cb 0.46 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1rfu h LEU 267 CO -0.95 0.23 0.12 1.56 0.09 0.00 0.00 178.44 179.49 1rfu h GLN 268 N 0.41 0.26 -0.61 1.13 1.08 0.23 -0.41 115.11 117.21 1rfu h GLN 268 Ca 0.16 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.39 1rfu h GLN 268 Cb 0.04 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 1rfu h GLN 268 CO -0.10 0.17 0.33 -0.09 -0.95 0.00 0.00 178.83 178.20 1rfu h ARG 269 N 0.27 0.60 0.90 1.46 2.43 -0.35 -2.10 114.38 117.60 1rfu h ARG 269 Ca 0.22 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1rfu h ARG 269 Cb 0.26 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1rfu h ARG 269 CO -0.27 0.40 -0.43 1.15 -1.51 0.00 0.00 179.97 179.31 1rfu h THR 270 N 0.62 0.00 -0.83 0.20 2.02 0.02 -2.56 112.91 112.38 1rfu h THR 270 Ca 0.27 -0.04 0.18 0.00 0.77 0.00 0.00 66.41 67.59 1rfu h THR 270 Cb 0.16 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.51 1rfu h THR 270 CO -0.17 0.00 0.55 -0.29 0.37 0.00 0.00 175.52 175.98 1rfu h ILE 271 N -1.25 0.73 0.57 3.11 6.09 -1.06 0.35 117.51 126.04 1rfu h ILE 271 Ca -0.12 -0.13 -0.03 0.00 -1.37 0.00 0.00 64.86 63.20 1rfu h ILE 271 Cb 0.93 0.31 0.01 0.00 0.47 0.00 0.00 36.82 38.53 1rfu h ILE 271 CO 0.20 0.07 -0.27 0.50 -3.07 0.00 0.00 178.15 175.58 1rfu h LYS 272 N 0.39 -0.73 -0.78 2.19 3.64 -1.20 0.11 116.57 120.18 1rfu h LYS 272 Ca 0.42 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.91 1rfu h LYS 272 Cb 1.04 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 1rfu h LYS 272 CO -0.14 -0.49 0.47 0.00 -2.27 0.00 0.00 179.45 177.02 1rfu h ALA 274 N 1.39 -0.85 -0.07 0.00 0.00 -0.16 0.29 119.26 119.86 1rfu h ALA 274 Ca 0.35 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1rfu h ALA 274 Cb 0.19 1.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1rfu h ALA 274 CO -0.18 -1.05 0.12 0.87 0.00 0.00 0.00 179.25 179.01 1rfu h LYS 275 N -0.51 0.00 -0.11 0.00 1.57 -0.32 -1.60 116.57 115.60 1rfu h LYS 275 Ca 0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1rfu h LYS 275 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1rfu h LYS 275 CO -0.45 0.00 -0.13 0.00 -0.57 0.00 0.00 179.45 178.30 1rfu h ALA 276 N 1.83 0.17 0.00 3.86 0.00 0.28 -0.47 119.26 124.92 1rfu h ALA 276 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1rfu h ALA 276 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rfu h ALA 276 CO -0.00 0.04 0.00 0.87 0.00 0.00 0.00 179.25 180.16 1rfu h LYS 277 N -0.12 0.00 0.00 0.00 1.57 -0.20 -3.20 116.57 114.62 1rfu h LYS 277 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 1rfu h LYS 277 Cb 0.67 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 1rfu h LYS 277 CO 0.03 0.00 -2.11 -1.13 -0.57 0.00 0.00 179.45 175.67 1rfu n SER 278 N -2.79 0.33 0.00 0.86 3.41 -0.84 -5.08 113.62 109.52 1rfu n SER 278 Ca 0.02 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1rfu n SER 278 Cb 0.33 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 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 1.66 0.14 3.76 5.00 0.00 -0.19 -4.68 105.19 110.87 1rfu n GLY 279 Ca -0.26 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.84 3.68 -1.48 1.61 2.02 -1.26 -2.86 118.70 117.57 1rfu s GLU 280 Ca 0.00 2.23 -0.05 0.00 0.02 0.00 0.00 54.97 57.17 1rfu s GLU 280 Cb 0.00 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.66 1rfu s GLU 280 CO 0.00 -0.76 0.47 0.41 0.02 0.00 0.00 175.26 175.40 1rfu n GLY 281 N 0.63 -0.51 2.97 -1.39 0.00 -1.26 -4.97 105.19 100.66 1rfu n GLY 281 Ca 0.06 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.06 -0.03 -0.09 1.61 1.01 -1.14 -5.15 120.40 113.56 1rfu s VAL 282 Ca 0.27 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 1rfu s VAL 282 Cb -0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1rfu s VAL 282 CO 0.34 0.04 0.64 -0.54 0.00 0.00 0.00 175.10 175.58 1rfu s LYS 283 N 0.71 4.40 0.30 2.72 -0.14 -1.26 -4.61 119.74 121.85 1rfu s LYS 283 Ca -0.05 0.76 -0.29 0.00 -1.36 0.00 0.00 55.97 55.02 1rfu s LYS 283 Cb -0.07 -3.45 -0.13 0.00 -1.68 0.00 0.00 37.83 32.50 1rfu s LYS 283 CO -0.03 0.07 1.35 -2.30 -0.76 0.00 0.00 175.35 173.68 1rfu n PRO 284 N 3.81 2.11 -2.49 -1.68 -0.02 -1.26 -4.97 135.00 130.49 1rfu n PRO 284 Ca -0.03 0.74 -0.28 0.00 -2.02 0.00 0.00 63.50 61.92 1rfu n PRO 284 Cb 0.51 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.03 6.13 0.41 2.55 1.04 -1.26 -4.84 113.70 117.69 1rfu s SER 285 Ca 0.61 0.95 0.18 0.00 0.48 0.00 0.00 55.95 58.17 1rfu s SER 285 Cb -0.60 -2.17 1.09 0.00 0.10 0.00 0.00 66.02 64.44 1rfu s SER 285 CO 0.56 -0.71 1.83 1.55 0.98 0.00 0.00 173.24 177.45 1rfu h PRO 286 N 0.07 0.40 -0.48 4.02 0.13 -1.93 0.58 132.00 134.79 1rfu h PRO 286 Ca -0.46 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1rfu h PRO 286 Cb 1.21 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1rfu h PRO 286 CO 0.61 0.26 -0.17 0.00 -0.23 0.00 0.00 178.00 178.48 1rfu h ALA 287 N 1.61 0.79 0.00 -0.56 0.00 -1.96 -2.43 119.26 116.71 1rfu h ALA 287 Ca 0.51 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1rfu h ALA 287 Cb 1.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rfu h ALA 287 CO -0.21 0.66 0.00 1.04 0.00 0.00 0.00 179.25 180.74 1rfu n GLN 288 N -4.13 0.40 -0.20 0.00 6.02 0.18 -3.19 117.38 116.48 1rfu n GLN 288 Ca 0.01 0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.11 1rfu n GLN 288 Cb 0.43 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.28 3.24 -4.65 1.08 4.77 0.02 -4.17 117.00 116.01 1rfu n LEU 289 Ca 0.13 -1.65 -0.41 0.00 -0.03 0.00 0.00 56.01 54.05 1rfu n LEU 289 Cb 0.22 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1rfu n LEU 289 CO 0.21 0.74 0.73 -0.62 -1.33 0.00 0.00 177.39 177.13 1rfu n GLU 290 N 1.18 1.65 -2.00 3.23 -0.58 -1.17 -4.77 120.64 118.17 1rfu n GLU 290 Ca 0.17 0.59 -0.40 0.00 -0.42 0.00 0.00 57.16 57.10 1rfu n GLU 290 Cb 0.53 -2.19 -0.00 0.00 -0.57 0.00 0.00 31.44 29.20 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 -0.99 4.25 -1.18 -4.62 1.43 -1.26 -4.91 118.68 111.40 1rfu s LEU 291 Ca 0.61 2.74 -0.11 0.00 -1.03 0.00 0.00 54.13 56.35 1rfu s LEU 291 Cb -0.55 -3.84 0.22 0.00 0.03 0.00 0.00 46.19 42.06 1rfu s LEU 291 CO 0.58 -0.84 1.41 0.54 0.23 0.00 0.00 176.35 178.26 1rfu n ARG 292 N 0.24 3.58 0.00 1.70 1.74 -1.26 -4.73 116.66 117.93 1rfu n ARG 292 Ca 0.03 -4.07 0.00 0.00 -0.77 0.00 0.00 57.85 53.04 1rfu n ARG 292 Cb 0.42 -2.81 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 3.99 0.00 -0.29 5.56 1.56 -1.26 -2.57 117.12 124.12 1rfu n MET 293 Ca 0.32 0.15 0.01 0.00 -0.27 0.00 0.00 57.70 57.91 1rfu n MET 293 Cb 0.40 -1.13 0.06 0.00 2.15 0.00 0.00 33.22 34.69 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 -0.92 -0.37 0.21 1.12 0.31 -1.26 0.19 118.33 117.61 1rfu n VAL 294 Ca 0.00 1.77 0.16 0.00 -0.01 0.00 0.00 64.34 66.26 1rfu n VAL 294 Cb 0.00 -2.38 0.81 0.00 -0.91 0.00 0.00 33.84 31.36 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 -0.58 5.55 7.50 -1.97 -0.90 115.11 124.71 1rfu h GLN 295 Ca 0.30 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.45 1rfu h GLN 295 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1rfu h GLN 295 CO -0.77 0.00 0.00 0.43 -1.50 0.00 0.00 178.83 176.99 1rfu n SER 296 N -3.95 3.38 -0.32 1.46 7.64 0.51 -4.62 113.62 117.73 1rfu n SER 296 Ca 0.01 -1.99 -0.10 0.00 1.01 0.00 0.00 58.87 57.80 1rfu n SER 296 Cb 0.29 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 63.01 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 3.84 -0.07 -0.71 1.43 3.64 -0.88 0.81 116.57 124.63 1rfu h LYS 297 Ca 0.00 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1rfu h LYS 297 Cb 0.87 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.64 1rfu h LYS 297 CO 0.00 -0.05 0.38 0.87 -2.27 0.00 0.00 179.45 178.38 1rfu h LYS 298 N -0.08 0.65 -0.12 1.90 1.79 -1.84 -1.51 116.57 117.37 1rfu h LYS 298 Ca 0.12 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.51 1rfu h LYS 298 Cb 0.40 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1rfu h LYS 298 CO -0.77 0.43 -0.15 -0.44 -1.08 0.00 0.00 179.45 177.44 1rfu h ASP 299 N 0.67 0.18 -0.34 0.86 3.45 -1.40 -1.87 116.42 117.98 1rfu h ASP 299 Ca 0.33 -0.04 -0.15 0.00 0.43 0.00 0.00 57.03 57.61 1rfu h ASP 299 Cb 0.28 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1rfu h ASP 299 CO -0.23 0.35 -0.36 0.40 -1.57 0.00 0.00 179.24 177.84 1rfu h ILE 300 N 0.18 1.28 -0.61 0.35 2.04 0.06 -1.51 117.51 119.32 1rfu h ILE 300 Ca 0.04 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 1rfu h ILE 300 Cb 0.38 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1rfu h ILE 300 CO 0.02 0.50 0.31 -0.33 0.00 0.00 0.00 178.15 178.66 1rfu h GLU 301 N 0.63 0.87 -1.92 2.37 5.08 -0.85 -3.39 114.58 117.37 1rfu h GLU 301 Ca 0.05 -0.12 -0.42 0.00 -1.00 0.00 0.00 59.36 57.87 1rfu h GLU 301 Cb 0.95 -0.16 -0.31 0.00 0.50 0.00 0.00 28.75 29.73 1rfu h GLU 301 CO 0.09 0.68 -0.78 -1.12 -1.00 0.00 0.00 179.01 176.89 1rfu s SER 302 N -5.97 0.67 0.00 1.42 0.01 -0.75 -5.06 113.70 104.01 1rfu s SER 302 Ca -0.13 -2.32 -0.30 0.00 1.31 0.00 0.00 55.95 54.51 1rfu s SER 302 Cb 0.13 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 1rfu s SER 302 CO 0.78 -0.17 1.18 -2.16 0.41 0.00 0.00 173.24 173.28 1rfu s PRO 303 N 0.65 4.41 0.38 12.44 0.04 -0.57 -4.68 135.00 147.66 1rfu s PRO 303 Ca 0.28 1.69 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1rfu s PRO 303 Cb -0.03 -3.46 -0.09 0.00 0.04 0.00 0.00 34.50 30.96 1rfu s PRO 303 CO -0.11 -0.32 1.23 -2.00 0.04 0.00 0.00 177.00 175.84 1rfu s GLU 304 N 1.59 4.13 -0.48 4.56 2.56 -1.26 -4.85 118.70 124.95 1rfu s GLU 304 Ca 0.57 2.01 -0.29 0.00 0.00 0.00 0.00 54.97 57.26 1rfu s GLU 304 Cb -0.26 -2.82 0.02 0.00 2.00 0.00 0.00 34.13 33.07 1rfu s GLU 304 CO 0.26 -0.31 1.26 0.42 -0.56 0.00 0.00 175.26 176.33 1rfu s ILE 305 N -1.29 4.04 -1.11 -3.70 1.09 -1.26 -4.65 121.20 114.33 1rfu s ILE 305 Ca 0.54 1.03 0.10 0.00 -1.10 0.00 0.00 60.65 61.23 1rfu s ILE 305 Cb -0.35 -4.49 0.17 0.00 -1.06 0.00 0.00 42.46 36.73 1rfu s ILE 305 CO 0.45 -1.00 1.00 1.33 -0.10 0.00 0.00 174.94 176.62 1rfu n VAL 306 N 6.91 0.43 -4.19 2.92 0.24 -1.26 -4.93 118.33 118.45 1rfu n VAL 306 Ca 0.13 -0.72 -0.20 0.00 -2.04 0.00 0.00 64.34 61.51 1rfu n VAL 306 Cb 0.49 0.91 -0.16 0.00 -1.47 0.00 0.00 33.84 33.60 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 -0.92 0.58 -0.25 3.34 -7.23 -1.26 -5.06 120.40 109.60 1rfu s VAL 307 Ca 0.16 -0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 60.12 1rfu s VAL 307 Cb 0.10 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.42 1rfu s VAL 307 CO 0.14 0.24 0.04 -1.10 -0.31 0.00 0.00 175.10 174.10 1rfu s GLN 308 N 0.91 3.47 0.23 4.82 -1.52 -1.26 -4.86 119.66 121.44 1rfu s GLN 308 Ca -0.11 -0.59 -0.30 0.00 -1.95 0.00 0.00 55.36 52.41 1rfu s GLN 308 Cb -0.14 -3.25 -0.09 0.00 -0.22 0.00 0.00 33.01 29.31 1rfu s GLN 308 CO 0.00 -0.24 1.15 0.00 -0.25 0.00 0.00 175.29 175.95 1rfu s ALA 309 N 1.55 3.42 -0.14 6.09 0.00 -1.26 -4.75 121.76 126.67 1rfu s ALA 309 Ca 0.05 0.92 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 1rfu s ALA 309 Cb -0.15 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1rfu s ALA 309 CO 0.01 -0.27 0.28 0.95 0.00 0.00 0.00 175.76 176.73 1rfu s THR 310 N -0.58 5.30 -0.49 0.00 -4.23 0.14 -4.94 115.64 110.84 1rfu s THR 310 Ca 0.49 0.53 -0.23 0.00 -1.18 0.00 0.00 61.69 61.30 1rfu s THR 310 Cb -0.32 -3.61 0.04 0.00 1.34 0.00 0.00 72.50 69.95 1rfu s THR 310 CO 0.39 0.44 0.80 -0.69 -0.54 0.00 0.00 174.62 175.02 1rfu s VAL 311 N 0.11 4.62 -2.00 2.29 1.01 -1.26 -0.88 120.40 124.28 1rfu s VAL 311 Ca 0.17 0.18 0.23 0.00 0.00 0.00 0.00 61.98 62.55 1rfu s VAL 311 Cb -0.13 -4.38 0.64 0.00 0.00 0.00 0.00 36.38 32.51 1rfu s VAL 311 CO 0.05 -0.86 1.72 0.18 0.00 0.00 0.00 175.10 176.19