#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 1.90 -4.41 3.17 4.07 -1.26 -4.81 120.64 119.31 1rfu n GLU 2 Ca 0.00 -3.34 -0.20 0.00 -0.06 0.00 0.00 57.16 53.56 1rfu n GLU 2 Cb 0.00 -1.49 -0.10 0.00 -0.06 0.00 0.00 31.44 29.78 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 -2.81 1.50 -1.00 5.31 8.01 -1.26 -5.08 118.70 123.37 1rfu s GLU 3 Ca 0.39 -1.76 -0.22 0.00 0.01 0.00 0.00 54.97 53.39 1rfu s GLU 3 Cb 0.38 -1.03 0.07 0.00 -4.31 0.00 0.00 34.13 29.23 1rfu s GLU 3 CO -0.05 0.01 1.37 -1.21 0.01 0.00 0.00 175.26 175.39 1rfu s GLU 4 N -3.76 3.60 -0.25 1.61 0.41 -1.26 -4.97 118.70 114.08 1rfu s GLU 4 Ca 0.29 -1.28 -0.04 0.00 -0.41 0.00 0.00 54.97 53.53 1rfu s GLU 4 Cb 0.04 -5.26 0.01 0.00 -1.78 0.00 0.00 34.13 27.14 1rfu s GLU 4 CO 0.11 -2.10 -0.03 0.00 -0.49 0.00 0.00 175.26 172.75 1rfu s ARG 6 N 1.42 3.38 -0.09 0.00 3.52 -1.26 -0.42 118.95 125.50 1rfu s ARG 6 Ca 0.03 -0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.47 1rfu s ARG 6 Cb -0.16 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.12 1rfu s ARG 6 CO -0.03 0.76 -0.11 0.08 -0.81 0.00 0.00 175.30 175.19 1rfu s VAL 7 N -0.99 1.14 -0.65 7.11 1.01 0.23 -1.39 120.40 126.87 1rfu s VAL 7 Ca 0.15 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 1rfu s VAL 7 Cb -0.12 -1.08 0.14 0.00 0.00 0.00 0.00 36.38 35.32 1rfu s VAL 7 CO 0.04 0.37 0.68 -0.22 0.00 0.00 0.00 175.10 175.96 1rfu s LEU 8 N 1.04 5.96 -0.20 3.92 2.96 -1.09 -0.53 118.68 130.73 1rfu s LEU 8 Ca -0.07 -1.89 -0.16 0.00 -0.22 0.00 0.00 54.13 51.79 1rfu s LEU 8 Cb -0.15 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1rfu s LEU 8 CO -0.01 -0.90 0.39 -0.55 -1.32 0.00 0.00 176.35 173.96 1rfu s SER 9 N 3.29 6.42 -0.35 3.68 0.15 0.27 -1.84 113.70 125.32 1rfu s SER 9 Ca 0.11 0.49 0.02 0.00 0.70 0.00 0.00 55.95 57.28 1rfu s SER 9 Cb -0.22 -2.22 0.10 0.00 -1.71 0.00 0.00 66.02 61.97 1rfu s SER 9 CO 0.00 -0.07 0.08 -0.63 1.20 0.00 0.00 173.24 173.82 1rfu s ILE 10 N 1.30 2.56 0.35 6.45 1.01 0.11 -1.23 121.20 131.77 1rfu s ILE 10 Ca 0.18 -2.18 -0.06 0.00 0.00 0.00 0.00 60.65 58.59 1rfu s ILE 10 Cb -0.15 -2.81 0.03 0.00 0.01 0.00 0.00 42.46 39.54 1rfu s ILE 10 CO 0.08 -0.56 0.58 0.00 0.00 0.00 0.00 174.94 175.03 1rfu n GLN 11 N 4.37 0.83 -1.50 2.79 6.02 -0.66 -1.23 117.38 127.99 1rfu n GLN 11 Ca 0.00 -2.49 -0.33 0.00 -0.01 0.00 0.00 57.00 54.18 1rfu n GLN 11 Cb 0.42 2.62 0.07 0.00 1.02 0.00 0.00 30.24 34.38 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 -3.05 4.64 -0.02 1.08 1.04 -1.22 -0.47 113.70 115.69 1rfu s SER 12 Ca 0.23 2.03 0.02 0.00 0.48 0.00 0.00 55.95 58.72 1rfu s SER 12 Cb -0.02 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1rfu s SER 12 CO 0.17 -1.95 -0.08 -2.28 0.98 0.00 0.00 173.24 170.08 1rfu s HIS 13 N -2.44 0.87 -0.03 5.02 2.46 0.47 0.13 115.29 121.77 1rfu s HIS 13 Ca 0.67 -0.21 0.07 0.00 0.47 0.00 0.00 55.06 56.05 1rfu s HIS 13 Cb -0.21 -0.63 -0.01 0.00 -0.13 0.00 0.00 32.58 31.60 1rfu s HIS 13 CO 0.47 -0.09 -0.22 0.14 -2.47 0.00 0.00 174.74 172.56 1rfu s VAL 14 N 0.21 1.78 0.08 0.89 -7.23 -1.26 -0.89 120.40 113.97 1rfu s VAL 14 Ca -0.03 -0.95 -0.32 0.00 -1.81 0.00 0.00 61.98 58.87 1rfu s VAL 14 Cb -0.08 -1.48 -0.17 0.00 0.56 0.00 0.00 36.38 35.20 1rfu s VAL 14 CO 0.00 0.50 1.63 0.58 -0.31 0.00 0.00 175.10 177.51 1rfu h VAL 15 N 4.72 0.37 -3.16 1.32 2.07 0.29 -3.42 116.25 118.45 1rfu h VAL 15 Ca -0.38 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.47 1rfu h VAL 15 Cb 1.14 0.37 -0.12 0.00 -1.52 0.00 0.00 31.29 31.17 1rfu h VAL 15 CO 0.47 0.00 -0.59 -0.60 0.02 0.00 0.00 177.57 176.88 1rfu s ARG 16 N -6.06 3.04 0.00 1.57 3.52 -0.10 -5.03 118.95 115.89 1rfu s ARG 16 Ca -0.17 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1rfu s ARG 16 Cb 0.04 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1rfu s ARG 16 CO 0.63 0.68 0.00 0.41 -0.81 0.00 0.00 175.30 176.20 1rfu n GLY 17 N 1.63 0.91 3.11 8.12 0.00 -1.26 -4.53 105.19 113.17 1rfu n GLY 17 Ca -0.16 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.81 3.38 -0.13 1.61 1.51 -1.26 -4.81 117.35 115.83 1rfu s TYR 18 Ca 0.00 -2.23 -0.31 0.00 -1.01 0.00 0.00 57.07 53.52 1rfu s TYR 18 Cb 0.00 -2.31 0.13 0.00 -0.11 0.00 0.00 41.96 39.67 1rfu s TYR 18 CO 0.00 -0.87 1.03 0.54 -1.11 0.00 0.00 175.55 175.14 1rfu s VAL 19 N 1.14 0.00 0.00 0.71 0.11 -1.26 -4.41 120.40 116.69 1rfu s VAL 19 Ca -0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1rfu s VAL 19 Cb -0.20 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 1rfu s VAL 19 CO -0.04 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 1rfu n GLY 20 N 0.29 0.96 0.32 6.54 0.00 -1.26 -2.00 105.19 110.03 1rfu n GLY 20 Ca -0.07 -0.65 0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 8.93 0.00 -0.56 1.61 -0.26 0.84 -0.16 115.58 125.98 1rfu h ASN 21 Ca 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1rfu h ASN 21 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 1rfu h ASN 21 CO 0.00 0.00 0.30 0.03 -1.06 0.00 0.00 177.43 176.70 1rfu h ARG 22 N 0.00 0.82 0.00 0.81 2.47 -1.55 0.16 114.38 117.08 1rfu h ARG 22 Ca 0.05 -0.09 -0.11 0.00 -1.26 0.00 0.00 59.98 58.57 1rfu h ARG 22 Cb 0.28 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 1rfu h ARG 22 CO -0.00 0.62 -1.09 0.00 0.56 0.00 0.00 179.97 180.05 1rfu h ALA 23 N 1.51 0.64 0.05 0.04 0.00 -0.96 -3.39 119.26 117.15 1rfu h ALA 23 Ca 0.21 -0.55 -0.31 0.00 0.00 0.00 0.00 54.91 54.25 1rfu h ALA 23 Cb 0.05 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1rfu h ALA 23 CO -0.03 0.62 -1.77 0.00 0.00 0.00 0.00 179.25 178.07 1rfu h ALA 24 N 1.59 0.62 -0.17 0.00 0.00 -0.99 -3.39 119.26 116.91 1rfu h ALA 24 Ca -0.09 -1.40 -0.02 0.00 0.00 0.00 0.00 54.91 53.39 1rfu h ALA 24 Cb 1.40 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1rfu h ALA 24 CO 0.04 1.46 0.01 1.15 0.00 0.00 0.00 179.25 181.91 1rfu h THR 25 N 0.03 1.24 0.42 0.00 2.02 -0.88 -3.03 112.91 112.71 1rfu h THR 25 Ca -0.32 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 1rfu h THR 25 Cb 2.02 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.84 1rfu h THR 25 CO 0.09 0.24 -0.39 0.15 0.37 0.00 0.00 175.52 175.98 1rfu h PHE 26 N 0.05 -1.05 -0.21 3.16 3.57 -1.79 -0.46 116.94 120.21 1rfu h PHE 26 Ca 0.05 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1rfu h PHE 26 Cb 0.34 0.40 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 1rfu h PHE 26 CO 0.03 -0.55 -0.47 -1.35 -2.23 0.00 0.00 178.31 173.74 1rfu h PRO 27 N -0.82 -0.47 -0.90 6.41 0.11 -1.76 0.30 132.00 134.87 1rfu h PRO 27 Ca -0.04 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.22 1rfu h PRO 27 Cb 0.72 0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.87 1rfu h PRO 27 CO -0.04 -0.31 0.58 -0.07 -0.21 0.00 0.00 178.00 177.95 1rfu h LEU 28 N -0.49 0.75 0.53 2.35 3.38 -1.41 0.44 115.31 120.86 1rfu h LEU 28 Ca 0.07 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1rfu h LEU 28 Cb 0.64 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1rfu h LEU 28 CO -0.46 0.41 -0.25 1.56 0.09 0.00 0.00 178.44 179.78 1rfu h GLN 29 N 0.81 -0.69 0.00 1.13 4.20 0.84 -0.06 115.11 121.35 1rfu h GLN 29 Ca 0.44 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1rfu h GLN 29 Cb 0.56 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1rfu h GLN 29 CO -0.20 -0.39 0.00 1.33 -0.67 0.00 0.00 178.83 178.90 1rfu n VAL 30 N -5.27 1.16 0.59 -0.54 0.24 0.81 -0.21 118.33 115.11 1rfu n VAL 30 Ca -0.10 0.71 0.12 0.00 -2.04 0.00 0.00 64.34 63.03 1rfu n VAL 30 Cb 0.31 -1.71 0.19 0.00 -1.47 0.00 0.00 33.84 31.16 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 -2.16 0.69 0.00 1.34 4.77 0.12 -4.90 117.00 116.86 1rfu n LEU 31 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1rfu n LEU 31 Cb 0.03 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1rfu n LEU 31 CO 0.08 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1rfu n GLY 32 N 1.34 1.22 3.82 -0.72 0.00 0.70 -1.78 105.19 109.77 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 -2.01 3.30 -0.26 1.61 0.40 -0.14 -4.77 117.98 116.11 1rfu s PHE 33 Ca 0.00 1.58 -0.16 0.00 -0.60 0.00 0.00 56.93 57.74 1rfu s PHE 33 Cb 0.00 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.63 1rfu s PHE 33 CO 0.00 -0.25 0.44 -2.00 0.70 0.00 0.00 175.22 174.11 1rfu s GLU 34 N -3.37 4.06 0.02 0.44 2.56 0.44 -4.28 118.70 118.57 1rfu s GLU 34 Ca 0.62 0.19 0.01 0.00 0.00 0.00 0.00 54.97 55.79 1rfu s GLU 34 Cb -0.10 -3.64 -0.04 0.00 2.00 0.00 0.00 34.13 32.36 1rfu s GLU 34 CO 0.18 -0.28 0.05 0.08 -0.56 0.00 0.00 175.26 174.73 1rfu s VAL 35 N 2.07 4.45 -0.21 3.70 1.01 -1.26 -0.60 120.40 129.56 1rfu s VAL 35 Ca 0.18 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1rfu s VAL 35 Cb -0.16 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 33.23 1rfu s VAL 35 CO 0.09 0.30 -0.07 -1.81 0.00 0.00 0.00 175.10 173.61 1rfu s ASP 36 N -1.86 3.47 -0.19 3.32 1.11 0.31 -4.91 116.67 117.92 1rfu s ASP 36 Ca 0.23 -0.96 -0.07 0.00 0.18 0.00 0.00 52.55 51.94 1rfu s ASP 36 Cb -0.12 -1.15 -0.04 0.00 1.07 0.00 0.00 42.92 42.69 1rfu s ASP 36 CO 0.15 -0.19 0.05 0.00 1.18 0.00 0.00 175.17 176.35 1rfu s ALA 37 N 1.44 3.28 -0.16 5.23 0.00 -1.26 -0.56 121.76 129.74 1rfu s ALA 37 Ca -0.03 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1rfu s ALA 37 Cb -0.17 -1.89 0.01 0.00 0.00 0.00 0.00 23.12 21.07 1rfu s ALA 37 CO -0.07 0.05 -0.19 0.08 0.00 0.00 0.00 175.76 175.64 1rfu s VAL 38 N 0.61 2.31 -0.50 0.00 1.01 -0.36 -5.00 120.40 118.46 1rfu s VAL 38 Ca 0.02 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 1rfu s VAL 38 Cb -0.13 -1.96 0.08 0.00 0.00 0.00 0.00 36.38 34.37 1rfu s VAL 38 CO 0.02 0.53 0.50 0.20 0.00 0.00 0.00 175.10 176.35 1rfu s ASN 39 N 0.95 6.18 0.60 3.32 0.01 -1.25 -1.66 114.94 123.09 1rfu s ASN 39 Ca -0.03 -1.31 0.31 0.00 -0.71 0.00 0.00 52.86 51.11 1rfu s ASN 39 Cb -0.15 -2.23 1.77 0.00 0.41 0.00 0.00 41.25 41.05 1rfu s ASN 39 CO -0.04 -0.79 2.15 0.77 -1.51 0.00 0.00 177.10 177.68 1rfu h SER 40 N 8.88 0.00 -5.02 -1.22 4.64 -1.06 -3.44 113.55 116.33 1rfu h SER 40 Ca -0.29 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.99 1rfu h SER 40 Cb 1.10 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.05 1rfu h SER 40 CO 0.95 0.00 0.08 0.68 -0.87 0.00 0.00 176.83 177.67 1rfu s VAL 41 N -4.56 0.03 -0.22 0.95 -7.23 -1.26 -1.85 120.40 106.26 1rfu s VAL 41 Ca -0.05 -0.22 -0.02 0.00 -1.81 0.00 0.00 61.98 59.88 1rfu s VAL 41 Cb 0.15 -1.02 0.07 0.00 0.56 0.00 0.00 36.38 36.13 1rfu s VAL 41 CO 0.52 -0.12 0.04 -1.58 -0.31 0.00 0.00 175.10 173.64 1rfu s GLN 42 N -3.04 0.78 0.39 4.82 0.74 -0.29 -0.39 119.66 122.66 1rfu s GLN 42 Ca -0.02 -0.61 0.08 0.00 0.05 0.00 0.00 55.36 54.86 1rfu s GLN 42 Cb -0.00 -2.13 -0.06 0.00 1.10 0.00 0.00 33.01 31.91 1rfu s GLN 42 CO -0.07 -0.70 0.09 -0.06 -0.55 0.00 0.00 175.29 174.00 1rfu s PHE 43 N 1.76 2.57 0.06 1.67 0.08 -0.07 -0.55 117.98 123.50 1rfu s PHE 43 Ca 0.00 -0.55 -0.24 0.00 0.12 0.00 0.00 56.93 56.26 1rfu s PHE 43 Cb -0.17 -1.76 -0.16 0.00 -0.57 0.00 0.00 43.02 40.36 1rfu s PHE 43 CO -0.11 0.34 1.63 0.66 -0.10 0.00 0.00 175.22 177.64 1rfu h SER 44 N 1.63 -0.05 -0.73 1.36 4.64 -1.01 0.19 113.55 119.59 1rfu h SER 44 Ca -0.43 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1rfu h SER 44 Cb 1.25 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1rfu h SER 44 CO 0.71 0.06 0.00 -0.46 -0.87 0.00 0.00 176.83 176.28 1rfu n ASN 45 N -5.07 0.00 -4.85 4.97 0.23 -1.26 -0.92 115.26 108.35 1rfu n ASN 45 Ca -0.08 -0.50 -0.35 0.00 -0.53 0.00 0.00 54.58 53.13 1rfu n ASN 45 Cb 0.10 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.74 1rfu n ASN 45 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1rfu s HIS 46 N -3.95 3.59 -0.73 -2.53 -3.43 -1.26 -4.89 115.29 102.09 1rfu s HIS 46 Ca 0.00 0.95 0.00 0.00 -0.80 0.00 0.00 55.06 55.21 1rfu s HIS 46 Cb 0.00 -2.29 0.00 0.00 -1.43 0.00 0.00 32.58 28.86 1rfu s HIS 46 CO 0.00 0.45 0.65 0.25 -2.00 0.00 0.00 174.74 174.10 1rfu n THR 47 N 0.79 0.84 0.28 -5.38 -2.24 -1.26 -0.90 114.28 106.41 1rfu n THR 47 Ca -0.06 0.36 0.17 0.00 -2.27 0.00 0.00 64.05 62.25 1rfu n THR 47 Cb 0.52 -1.36 0.71 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 -1.64 3.38 0.00 -1.94 -3.44 103.07 99.44 1rfu h GLY 48 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1rfu h GLY 48 CO 0.00 0.00 0.38 -0.19 0.00 0.00 0.00 176.54 176.73 1rfu s TYR 49 N -3.75 3.14 0.21 5.60 2.02 -0.08 -4.91 117.35 119.59 1rfu s TYR 49 Ca 0.00 1.47 -0.10 0.00 -0.37 0.00 0.00 57.07 58.07 1rfu s TYR 49 Cb 0.10 -2.92 0.29 0.00 -0.40 0.00 0.00 41.96 39.02 1rfu s TYR 49 CO 0.55 -0.96 1.71 0.77 -1.57 0.00 0.00 175.55 176.04 1rfu h SER 50 N 0.27 0.01 -3.23 2.29 0.02 -1.90 -3.42 113.55 107.61 1rfu h SER 50 Ca -0.46 0.11 -0.58 0.00 -0.84 0.00 0.00 61.79 60.02 1rfu h SER 50 Cb 1.21 0.15 -0.17 0.00 0.14 0.00 0.00 62.40 63.72 1rfu h SER 50 CO 0.58 0.02 -0.79 -1.00 -1.14 0.00 0.00 176.83 174.50 1rfu s HIS 51 N -6.11 2.05 -0.28 3.45 3.76 -1.26 -5.13 115.29 111.77 1rfu s HIS 51 Ca -0.13 -0.41 -0.18 0.00 -0.15 0.00 0.00 55.06 54.19 1rfu s HIS 51 Cb 0.18 -1.00 0.09 0.00 1.11 0.00 0.00 32.58 32.96 1rfu s HIS 51 CO 0.74 0.45 0.77 1.67 -0.85 0.00 0.00 174.74 177.51 1rfu s TRP 52 N -2.01 -0.90 0.18 1.40 1.48 -1.26 -4.88 118.94 112.94 1rfu s TRP 52 Ca 0.20 1.86 0.05 0.00 -1.06 0.00 0.00 56.10 57.15 1rfu s TRP 52 Cb -0.06 0.52 -0.05 0.00 -1.16 0.00 0.00 33.47 32.72 1rfu s TRP 52 CO 0.09 -0.45 -0.09 0.15 -4.06 0.00 0.00 176.95 172.59 1rfu s LYS 53 N 1.36 1.20 0.00 3.25 1.02 -1.26 -4.97 119.74 120.33 1rfu s LYS 53 Ca -0.08 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.37 1rfu s LYS 53 Cb -0.05 -0.76 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 1rfu s LYS 53 CO -0.16 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1rfu n GLY 54 N -0.30 -2.43 3.59 -3.33 0.00 -1.26 -0.35 105.19 101.11 1rfu n GLY 54 Ca -0.09 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 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 2.00 0.16 1.61 0.00 0.29 -4.95 119.66 116.79 1rfu s GLN 55 Ca 0.00 -1.74 0.06 0.00 -0.00 0.00 0.00 55.36 53.69 1rfu s GLN 55 Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 33.01 31.07 1rfu s GLN 55 CO 0.00 0.20 -0.14 0.08 0.00 0.00 0.00 175.29 175.43 1rfu s VAL 56 N -2.50 1.46 0.10 3.63 1.01 -1.26 -1.14 120.40 121.69 1rfu s VAL 56 Ca 0.33 -1.96 0.03 0.00 0.00 0.00 0.00 61.98 60.38 1rfu s VAL 56 Cb -0.01 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1rfu s VAL 56 CO 0.18 -0.54 0.10 -0.76 0.00 0.00 0.00 175.10 174.08 1rfu s LEU 57 N -2.89 3.83 0.37 3.92 1.02 -0.77 -4.99 118.68 119.17 1rfu s LEU 57 Ca 0.15 -0.02 0.08 0.00 0.02 0.00 0.00 54.13 54.37 1rfu s LEU 57 Cb -0.02 -2.50 -0.07 0.00 0.02 0.00 0.00 46.19 43.62 1rfu s LEU 57 CO 0.04 0.15 -0.05 0.54 0.02 0.00 0.00 176.35 177.05 1rfu s ASN 58 N -2.55 3.74 0.35 2.29 2.20 -1.26 -4.78 114.94 114.93 1rfu s ASN 58 Ca 0.30 -1.27 0.20 0.00 -0.94 0.00 0.00 52.86 51.14 1rfu s ASN 58 Cb -0.12 -0.36 1.27 0.00 -2.00 0.00 0.00 41.25 40.04 1rfu s ASN 58 CO 0.23 -0.31 1.50 -1.54 -2.94 0.00 0.00 177.10 174.03 1rfu n SER 59 N -0.86 0.32 -0.10 3.54 3.41 -1.26 0.61 113.62 119.28 1rfu n SER 59 Ca -0.05 1.58 -0.12 0.00 -0.26 0.00 0.00 58.87 60.02 1rfu n SER 59 Cb 0.65 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.68 -0.14 4.04 3.45 -1.97 0.90 116.42 123.39 1rfu h ASP 60 Ca 0.80 -0.42 -0.07 0.00 0.43 0.00 0.00 57.03 57.77 1rfu h ASP 60 Cb 2.12 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 40.68 1rfu h ASP 60 CO -0.74 0.96 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.45 1rfu h GLU 61 N 0.41 0.49 -0.19 3.56 5.08 -0.22 -0.57 114.58 123.14 1rfu h GLU 61 Ca 0.06 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.10 1rfu h GLU 61 Cb 0.72 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1rfu h GLU 61 CO 0.05 0.60 -0.62 1.25 -1.00 0.00 0.00 179.01 179.29 1rfu h LEU 62 N 0.46 0.76 0.03 1.33 5.85 -0.94 -3.09 115.31 119.70 1rfu h LEU 62 Ca 0.09 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1rfu h LEU 62 Cb 0.47 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1rfu h LEU 62 CO 0.03 1.20 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.61 1rfu h GLN 63 N 0.50 -0.19 -0.80 1.25 5.75 -0.15 -0.90 115.11 120.56 1rfu h GLN 63 Ca -0.01 0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 1rfu h GLN 63 Cb 1.21 0.04 -0.12 0.00 1.07 0.00 0.00 27.48 29.68 1rfu h GLN 63 CO 0.12 -0.13 -0.49 0.93 -2.65 0.00 0.00 178.83 176.61 1rfu h GLU 64 N -0.20 -0.11 0.09 1.69 5.08 -1.09 1.18 114.58 121.22 1rfu h GLU 64 Ca 0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1rfu h GLU 64 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1rfu h GLU 64 CO -0.09 -0.08 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.68 1rfu h LEU 65 N -0.12 -0.24 -0.15 1.33 3.38 -1.42 0.45 115.31 118.55 1rfu h LEU 65 Ca 0.20 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1rfu h LEU 65 Cb 0.52 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1rfu h LEU 65 CO -0.83 -0.14 0.01 0.22 0.09 0.00 0.00 178.44 177.78 1rfu h TYR 66 N -0.20 0.01 -0.70 1.13 3.20 0.36 0.52 116.97 121.29 1rfu h TYR 66 Ca 0.00 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.98 1rfu h TYR 66 Cb 0.19 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.41 1rfu h TYR 66 CO -0.11 -0.01 0.33 -0.44 -1.64 0.00 0.00 178.16 176.29 1rfu h ASP 67 N 0.06 0.42 -0.36 -2.11 5.19 0.17 1.16 116.42 120.95 1rfu h ASP 67 Ca 0.07 0.06 0.08 0.00 -0.62 0.00 0.00 57.03 56.62 1rfu h ASP 67 Cb 0.08 -0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.51 1rfu h ASP 67 CO -0.11 0.24 -0.12 1.23 -3.12 0.00 0.00 179.24 177.36 1rfu h GLY 68 N 0.57 0.21 1.03 2.75 0.00 0.19 0.79 103.07 108.61 1rfu h GLY 68 Ca 0.35 0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.74 1rfu h GLY 68 CO -0.28 -0.16 -0.03 1.41 0.00 0.00 0.00 176.54 177.49 1rfu h LEU 69 N -0.04 0.90 0.25 3.11 3.38 0.66 -2.92 115.31 120.66 1rfu h LEU 69 Ca 0.18 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1rfu h LEU 69 Cb 0.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1rfu h LEU 69 CO -0.40 1.00 -0.32 0.50 0.09 0.00 0.00 178.44 179.32 1rfu h LYS 70 N 0.78 -0.56 -1.52 1.13 1.63 0.28 -1.13 116.57 117.16 1rfu h LYS 70 Ca 0.14 0.04 0.45 0.00 -0.85 0.00 0.00 60.65 60.42 1rfu h LYS 70 Cb 0.56 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.25 1rfu h LYS 70 CO 0.03 -0.38 1.09 -0.07 -3.45 0.00 0.00 179.45 176.67 1rfu h LEU 71 N -0.59 0.04 -0.77 5.20 3.38 0.62 0.85 115.31 124.04 1rfu h LEU 71 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1rfu h LEU 71 Cb 0.53 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1rfu h LEU 71 CO -0.08 -0.01 -0.40 0.59 0.09 0.00 0.00 178.44 178.63 1rfu n ASN 72 N -4.13 1.59 -1.95 -0.43 3.02 -0.88 -4.96 115.26 107.52 1rfu n ASN 72 Ca 0.34 -1.25 -0.11 0.00 -0.03 0.00 0.00 54.58 53.54 1rfu n ASN 72 Cb 1.57 0.35 0.04 0.00 -0.61 0.00 0.00 39.78 41.13 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 -0.32 -1.35 -0.71 3.10 8.25 0.29 -4.92 115.22 119.57 1rfu n HIS 73 Ca 0.10 0.47 0.06 0.00 -0.26 0.00 0.00 57.72 58.10 1rfu n HIS 73 Cb 0.42 -2.91 0.09 0.00 1.12 0.00 0.00 29.99 28.70 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 -3.71 1.54 -2.18 1.59 0.24 -0.79 -4.81 118.33 110.21 1rfu n VAL 74 Ca 0.00 -1.78 -0.42 0.00 -2.04 0.00 0.00 64.34 60.10 1rfu n VAL 74 Cb 0.53 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 -1.08 5.26 -3.71 -1.34 6.94 -1.25 -4.83 115.26 115.25 1rfu n ASN 75 Ca 0.10 -3.06 -0.24 0.00 -0.02 0.00 0.00 54.58 51.36 1rfu n ASN 75 Cb 0.50 -1.50 -0.17 0.00 -2.36 0.00 0.00 39.78 36.26 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 0.71 0.38 0.41 -3.83 -0.21 -1.26 -5.01 119.66 110.85 1rfu s GLN 76 Ca 0.43 0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.85 1rfu s GLN 76 Cb 0.11 -1.29 -0.04 0.00 1.00 0.00 0.00 33.01 32.79 1rfu s GLN 76 CO -0.02 -0.45 0.06 0.71 -2.12 0.00 0.00 175.29 173.47 1rfu s TYR 77 N 2.02 1.95 -0.01 0.91 1.51 -1.26 -4.94 117.35 117.53 1rfu s TYR 77 Ca 0.03 -1.03 0.02 0.00 -1.01 0.00 0.00 57.07 55.08 1rfu s TYR 77 Cb -0.14 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1rfu s TYR 77 CO -0.06 0.02 0.03 -0.25 -1.11 0.00 0.00 175.55 174.17 1rfu n ASP 78 N -1.08 4.56 -3.90 2.29 8.00 -0.48 -4.82 116.55 121.12 1rfu n ASP 78 Ca -0.08 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.28 1rfu n ASP 78 Cb 0.66 0.87 -0.09 0.00 -0.02 0.00 0.00 41.12 42.54 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 -2.10 1.31 -0.16 1.24 1.51 -0.90 -2.00 117.35 116.25 1rfu s TYR 79 Ca -0.01 -1.44 -0.10 0.00 -1.01 0.00 0.00 57.07 54.52 1rfu s TYR 79 Cb 0.01 -0.56 0.05 0.00 -0.11 0.00 0.00 41.96 41.35 1rfu s TYR 79 CO 0.08 -0.74 0.39 0.08 -1.11 0.00 0.00 175.55 174.24 1rfu s VAL 80 N -3.89 -0.02 -0.08 0.71 1.01 -0.37 -2.68 120.40 115.08 1rfu s VAL 80 Ca 0.39 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1rfu s VAL 80 Cb 0.05 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.87 1rfu s VAL 80 CO 0.17 0.03 -0.11 -0.22 0.00 0.00 0.00 175.10 174.98 1rfu s LEU 81 N 1.14 1.50 0.07 3.92 2.96 -0.77 0.36 118.68 127.85 1rfu s LEU 81 Ca -0.08 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1rfu s LEU 81 Cb -0.07 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 1rfu s LEU 81 CO -0.10 -0.02 -0.15 0.42 -1.32 0.00 0.00 176.35 175.18 1rfu s THR 82 N 1.01 1.20 0.00 3.68 -4.23 -1.03 0.10 115.64 116.38 1rfu s THR 82 Ca -0.08 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1rfu s THR 82 Cb -0.15 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1rfu s THR 82 CO -0.00 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1rfu n GLY 83 N 1.30 4.47 3.67 3.99 0.00 -0.37 -1.75 105.19 116.51 1rfu n GLY 83 Ca -0.21 -0.48 -0.61 0.00 0.00 0.00 0.00 46.02 44.72 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 1.62 -3.70 1.61 9.36 -1.26 -4.73 117.16 120.05 1rfu n TYR 84 Ca 0.00 0.88 -0.13 0.00 3.32 0.00 0.00 57.90 61.98 1rfu n TYR 84 Cb 0.00 -2.29 -0.07 0.00 -0.63 0.00 0.00 39.34 36.35 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 2.31 0.06 0.00 2.97 2.01 -1.26 -3.46 115.64 118.27 1rfu s THR 85 Ca 0.98 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1rfu s THR 85 Cb -1.26 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 70.34 1rfu s THR 85 CO 0.68 -0.28 0.18 0.54 -0.69 0.00 0.00 174.62 175.05 1rfu n ARG 86 N 0.63 3.44 -3.63 4.92 1.74 -1.26 -4.88 116.66 117.62 1rfu n ARG 86 Ca -0.19 -0.18 -0.40 0.00 -0.77 0.00 0.00 57.85 56.31 1rfu n ARG 86 Cb 0.59 -0.66 -0.11 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.54 5.62 0.24 0.55 3.68 -1.26 -4.61 116.67 120.35 1rfu s ASP 87 Ca 0.00 -0.83 -0.06 0.00 2.13 0.00 0.00 52.55 53.79 1rfu s ASP 87 Cb 0.00 -2.00 0.30 0.00 -1.45 0.00 0.00 42.92 39.77 1rfu s ASP 87 CO 0.00 -0.31 1.88 0.50 0.13 0.00 0.00 175.17 177.37 1rfu h LYS 88 N 8.39 1.07 -0.27 4.34 3.64 -1.93 0.81 116.57 132.61 1rfu h LYS 88 Ca -0.28 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.08 1rfu h LYS 88 Cb 1.12 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 1rfu h LYS 88 CO 0.64 0.71 0.04 0.77 -2.27 0.00 0.00 179.45 179.35 1rfu h SER 89 N 1.11 -0.01 0.20 4.20 0.02 -1.96 0.71 113.55 117.82 1rfu h SER 89 Ca 0.37 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.38 1rfu h SER 89 Cb 0.05 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1rfu h SER 89 CO -0.13 0.03 -0.32 0.15 -1.14 0.00 0.00 176.83 175.41 1rfu h PHE 90 N 0.14 -0.88 -0.11 3.45 3.57 -1.61 -1.39 116.94 120.10 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 0.14 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1rfu h PHE 90 CO -0.17 -0.44 -0.24 1.25 -2.23 0.00 0.00 178.31 176.48 1rfu h LEU 91 N -0.60 -0.73 -0.19 0.59 5.85 -0.41 -0.52 115.31 119.29 1rfu h LEU 91 Ca 0.01 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1rfu h LEU 91 Cb 0.59 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1rfu h LEU 91 CO -0.14 -0.29 -0.35 0.00 -0.34 0.00 0.00 178.44 177.32 1rfu h ALA 92 N 0.63 -0.40 -0.86 1.25 0.00 -0.65 -0.45 119.26 118.79 1rfu h ALA 92 Ca 0.10 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1rfu h ALA 92 Cb 0.45 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1rfu h ALA 92 CO -0.29 -0.82 0.48 1.98 0.00 0.00 0.00 179.25 180.59 1rfu h MET 93 N -0.39 0.71 -0.83 0.00 1.85 -0.88 0.22 114.93 115.60 1rfu h MET 93 Ca 0.11 -0.04 0.18 0.00 -0.61 0.00 0.00 59.70 59.33 1rfu h MET 93 Cb 0.57 -0.16 -0.11 0.00 0.43 0.00 0.00 31.60 32.33 1rfu h MET 93 CO -0.41 0.47 0.35 0.28 -0.40 0.00 0.00 176.91 177.20 1rfu h VAL 94 N 0.73 0.57 0.69 -5.77 2.07 0.57 0.71 116.25 115.81 1rfu h VAL 94 Ca 0.44 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 1rfu h VAL 94 Cb 0.53 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1rfu h VAL 94 CO -0.31 0.08 -0.44 0.58 0.02 0.00 0.00 177.57 177.51 1rfu h VAL 95 N 0.44 0.12 -0.79 2.57 2.07 -0.13 0.28 116.25 120.81 1rfu h VAL 95 Ca 0.49 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.20 1rfu h VAL 95 Cb 0.83 0.12 -0.13 0.00 -1.52 0.00 0.00 31.29 30.59 1rfu h VAL 95 CO -0.47 0.00 0.07 0.44 0.02 0.00 0.00 177.57 177.64 1rfu h ASP 96 N -1.06 -0.25 -0.16 0.57 3.45 -0.85 0.45 116.42 118.58 1rfu h ASP 96 Ca -0.09 0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.60 1rfu h ASP 96 Cb 0.86 0.32 -0.03 0.00 -0.56 0.00 0.00 39.33 39.92 1rfu h ASP 96 CO 0.08 -0.17 -0.02 0.40 -1.57 0.00 0.00 179.24 177.96 1rfu h ILE 97 N 0.14 0.86 -0.49 0.35 2.04 -0.20 -0.72 117.51 119.49 1rfu h ILE 97 Ca 0.45 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.39 1rfu h ILE 97 Cb 0.82 0.83 -0.08 0.00 -0.74 0.00 0.00 36.82 37.66 1rfu h ILE 97 CO -0.66 0.01 0.03 0.58 0.00 0.00 0.00 178.15 178.11 1rfu h VAL 98 N 0.03 0.65 -0.14 1.67 2.07 0.35 -1.73 116.25 119.14 1rfu h VAL 98 Ca 0.08 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1rfu h VAL 98 Cb 0.10 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1rfu h VAL 98 CO -0.15 0.03 0.07 1.56 0.02 0.00 0.00 177.57 179.10 1rfu h GLN 99 N 0.15 0.20 -0.94 1.57 4.20 -0.31 0.41 115.11 120.40 1rfu h GLN 99 Ca 0.25 -0.03 0.17 0.00 0.06 0.00 0.00 58.65 59.10 1rfu h GLN 99 Cb 0.36 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.02 1rfu h GLN 99 CO -0.38 0.24 0.60 1.49 -0.67 0.00 0.00 178.83 180.11 1rfu h GLU 100 N 0.11 0.66 -0.19 1.46 4.81 -0.63 -0.45 114.58 120.35 1rfu h GLU 100 Ca 0.05 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 1rfu h GLU 100 Cb 0.10 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.34 1rfu h GLU 100 CO -0.01 0.44 -0.61 -0.07 -0.73 0.00 0.00 179.01 178.03 1rfu h LEU 101 N 0.68 0.87 -1.87 1.64 3.38 -0.67 -2.71 115.31 116.64 1rfu h LEU 101 Ca 0.50 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1rfu h LEU 101 Cb 0.86 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1rfu h LEU 101 CO -0.25 1.31 -0.04 0.11 0.09 0.00 0.00 178.44 179.66 1rfu h LYS 102 N 0.48 0.03 0.19 1.13 1.57 0.60 0.48 116.57 121.04 1rfu h LYS 102 Ca -0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1rfu h LYS 102 Cb 1.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1rfu h LYS 102 CO 0.13 0.08 -0.09 1.96 -0.57 0.00 0.00 179.45 180.96 1rfu h GLN 103 N 0.03 -0.24 -0.47 3.15 7.50 -1.11 -2.15 115.11 121.83 1rfu h GLN 103 Ca 0.01 0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.19 1rfu h GLN 103 Cb 0.09 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.65 1rfu h GLN 103 CO 0.01 0.11 0.29 1.96 -1.50 0.00 0.00 178.83 179.69 1rfu h GLN 104 N -0.62 0.56 -3.96 1.46 4.20 -1.04 -3.37 115.11 112.33 1rfu h GLN 104 Ca -0.03 -0.03 -0.61 0.00 0.06 0.00 0.00 58.65 58.04 1rfu h GLN 104 Cb 0.46 -0.13 -0.40 0.00 0.30 0.00 0.00 27.48 27.71 1rfu h GLN 104 CO 0.04 0.37 -0.74 1.21 -0.67 0.00 0.00 178.83 179.04 1rfu s ASN 105 N -5.57 4.26 0.55 1.46 3.04 0.16 -4.97 114.94 113.87 1rfu s ASN 105 Ca -0.13 -1.79 0.31 0.00 0.04 0.00 0.00 52.86 51.29 1rfu s ASN 105 Cb 0.12 -1.13 1.56 0.00 -1.54 0.00 0.00 41.25 40.27 1rfu s ASN 105 CO 0.73 -0.40 2.09 -0.65 -3.04 0.00 0.00 177.10 175.84 1rfu h PRO 106 N 7.92 0.00 -0.00 0.43 0.11 -1.56 -2.24 132.00 136.66 1rfu h PRO 106 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 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 0.48 0.08 -0.06 0.54 -0.21 0.00 0.00 178.00 178.84 1rfu n ARG 107 N -3.44 0.57 -1.88 1.05 1.74 -1.26 -4.90 116.66 108.53 1rfu n ARG 107 Ca -0.01 -0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 56.57 1rfu n ARG 107 Cb 0.23 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.51 4.09 -0.09 0.55 0.20 -0.84 -4.98 118.68 115.10 1rfu s LEU 108 Ca 0.29 2.80 0.03 0.00 0.69 0.00 0.00 54.13 57.94 1rfu s LEU 108 Cb 0.20 -4.00 -0.01 0.00 -0.43 0.00 0.00 46.19 41.95 1rfu s LEU 108 CO 0.47 -1.15 -0.19 -0.69 -0.29 0.00 0.00 176.35 174.50 1rfu s VAL 109 N -1.25 2.57 -0.28 1.68 1.01 -0.85 -4.99 120.40 118.29 1rfu s VAL 109 Ca 0.62 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1rfu s VAL 109 Cb -0.41 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.00 1rfu s VAL 109 CO 0.52 0.56 -0.01 -0.47 0.00 0.00 0.00 175.10 175.69 1rfu s TYR 110 N 0.02 3.19 -0.22 5.22 6.04 -1.26 -1.23 117.35 129.10 1rfu s TYR 110 Ca -0.07 -1.68 -0.18 0.00 0.04 0.00 0.00 57.07 55.19 1rfu s TYR 110 Cb -0.15 -2.11 -0.03 0.00 -1.04 0.00 0.00 41.96 38.63 1rfu s TYR 110 CO 0.05 -0.76 0.49 0.08 -1.54 0.00 0.00 175.55 173.87 1rfu s VAL 111 N 1.30 5.11 -0.17 3.14 1.01 0.16 -1.20 120.40 129.75 1rfu s VAL 111 Ca -0.03 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.85 1rfu s VAL 111 Cb -0.18 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1rfu s VAL 111 CO -0.02 0.17 -0.20 0.00 0.00 0.00 0.00 175.10 175.05 1rfu s ASP 113 N 1.21 6.11 -0.86 0.00 3.68 -0.72 -2.48 116.67 123.62 1rfu s ASP 113 Ca 0.03 -1.39 -0.10 0.00 2.13 0.00 0.00 52.55 53.21 1rfu s ASP 113 Cb -0.13 -2.17 -0.08 0.00 -1.45 0.00 0.00 42.92 39.09 1rfu s ASP 113 CO -0.11 -0.66 2.03 -0.81 0.13 0.00 0.00 175.17 175.75 1rfu n PRO 114 N 5.18 1.88 -2.09 4.34 -0.04 -1.26 -4.35 135.00 138.66 1rfu n PRO 114 Ca -0.12 -1.55 -0.43 0.00 -0.04 0.00 0.00 63.50 61.36 1rfu n PRO 114 Cb 0.43 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 1rfu n PRO 114 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rfu s VAL 115 N 3.88 3.58 0.00 0.52 1.01 -1.26 -4.69 120.40 123.45 1rfu s VAL 115 Ca 0.43 0.59 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1rfu s VAL 115 Cb 0.11 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1rfu s VAL 115 CO 0.01 -0.53 0.00 0.23 0.00 0.00 0.00 175.10 174.81 1rfu n MET 116 N 8.36 0.00 -3.05 2.72 2.81 -1.26 -4.69 117.12 122.01 1rfu n MET 116 Ca 0.21 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 56.01 1rfu n MET 116 Cb 0.47 -0.29 -0.01 0.00 -0.71 0.00 0.00 33.22 32.68 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 1.64 2.23 3.24 3.03 0.00 -1.26 0.99 105.19 115.06 1rfu n GLY 117 Ca 0.00 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1rfu n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rfu s ASP 118 N -2.39 2.74 -0.92 1.61 2.15 -1.07 -4.72 116.67 114.07 1rfu s ASP 118 Ca 0.17 -0.44 -0.02 0.00 0.43 0.00 0.00 52.55 52.70 1rfu s ASP 118 Cb -0.01 -0.51 0.33 0.00 -0.30 0.00 0.00 42.92 42.42 1rfu s ASP 118 CO 0.12 0.25 1.97 0.00 -0.17 0.00 0.00 175.17 177.35 1rfu n GLN 119 N 2.74 3.91 -4.03 4.34 10.64 -1.26 -3.03 117.38 130.69 1rfu n GLN 119 Ca -0.17 -3.97 -0.29 0.00 -1.83 0.00 0.00 57.00 50.75 1rfu n GLN 119 Cb 0.52 -2.36 -0.05 0.00 -0.86 0.00 0.00 30.24 27.49 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 -4.07 3.01 -1.28 2.61 1.70 -1.26 -4.52 118.95 115.15 1rfu s ARG 120 Ca 0.47 -0.71 -0.03 0.00 -0.47 0.00 0.00 55.73 55.00 1rfu s ARG 120 Cb 0.33 -2.77 0.00 0.00 -0.57 0.00 0.00 34.95 31.95 1rfu s ARG 120 CO -0.29 0.54 0.35 0.09 -1.08 0.00 0.00 175.30 174.92 1rfu n ASN 121 N 0.08 -5.09 0.00 -2.89 4.13 -1.26 -4.40 115.26 105.83 1rfu n ASN 121 Ca -0.08 -0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.01 1rfu n ASN 121 Cb 0.53 -4.01 0.00 0.00 -1.54 0.00 0.00 39.78 34.76 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 -1.27 0.97 3.92 7.41 0.00 -1.26 -4.95 105.19 110.01 1rfu n GLY 122 Ca -0.12 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 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 3.48 0.00 1.61 -1.05 -1.26 -4.92 118.70 116.56 1rfu s GLU 123 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.44 1rfu s GLU 123 Cb 0.00 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.71 1rfu s GLU 123 CO 0.00 0.56 0.00 0.41 0.95 0.00 0.00 175.26 177.18 1rfu n GLY 124 N 0.10 2.93 3.02 -3.83 0.00 -1.26 -4.67 105.19 101.48 1rfu n GLY 124 Ca -0.05 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.13 0.52 4.61 0.00 -1.17 -5.02 121.76 118.57 1rfu s ALA 125 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 1rfu s ALA 125 Cb 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 1rfu s ALA 125 CO 0.00 -0.15 1.12 -1.64 0.00 0.00 0.00 175.76 175.09 1rfu s MET 126 N -1.06 3.51 -0.31 0.00 -1.94 -1.26 -2.58 119.30 115.66 1rfu s MET 126 Ca -0.12 1.61 0.08 0.00 -1.71 0.00 0.00 55.69 55.55 1rfu s MET 126 Cb -0.07 -2.11 0.51 0.00 2.01 0.00 0.00 34.83 35.18 1rfu s MET 126 CO 0.00 -0.72 1.49 2.48 -0.01 0.00 0.00 175.02 178.26 1rfu n TYR 127 N -1.07 1.29 -3.92 -0.03 0.18 0.28 -4.89 117.16 109.00 1rfu n TYR 127 Ca 0.10 -1.69 -0.09 0.00 1.88 0.00 0.00 57.90 58.10 1rfu n TYR 127 Cb 0.51 -0.53 -0.08 0.00 -0.38 0.00 0.00 39.34 38.86 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 -3.35 0.13 0.55 -3.48 -7.23 -1.16 -4.98 120.40 100.87 1rfu s VAL 128 Ca 0.46 -1.33 -0.21 0.00 -1.81 0.00 0.00 61.98 59.09 1rfu s VAL 128 Cb 0.41 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.78 1rfu s VAL 128 CO 0.00 -0.59 1.26 -2.65 -0.31 0.00 0.00 175.10 172.81 1rfu n PRO 129 N -0.08 1.50 -0.02 4.82 -0.02 -1.26 -4.90 135.00 135.04 1rfu n PRO 129 Ca -0.13 0.56 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 1rfu n PRO 129 Cb 0.62 -2.46 0.38 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.24 0.51 0.00 2.55 5.19 -1.98 -3.01 116.42 120.92 1rfu h ASP 130 Ca -0.50 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.88 1rfu h ASP 130 Cb 1.32 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1rfu h ASP 130 CO 0.56 0.42 0.03 -0.90 -3.12 0.00 0.00 179.24 176.22 1rfu n ASP 131 N -4.42 0.00 -0.01 6.45 5.68 -1.26 -0.81 116.55 122.18 1rfu n ASP 131 Ca 0.03 0.13 -0.08 0.00 -0.50 0.00 0.00 54.79 54.37 1rfu n ASP 131 Cb 0.10 -0.13 -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 -0.10 -2.12 3.38 -1.91 -3.35 115.31 111.21 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 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1rfu h LEU 132 CO 0.00 0.97 -0.28 0.25 0.09 0.00 0.00 178.44 179.47 1rfu h LEU 133 N 0.00 -0.87 -0.38 1.67 5.85 -1.20 0.14 115.31 120.52 1rfu h LEU 133 Ca -0.25 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1rfu h LEU 133 Cb 1.96 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 43.30 1rfu h LEU 133 CO 0.08 -0.33 -0.01 1.55 -0.34 0.00 0.00 178.44 179.39 1rfu h PRO 134 N -0.37 0.09 -0.35 5.25 0.13 -1.73 0.30 132.00 135.32 1rfu h PRO 134 Ca 0.09 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.24 1rfu h PRO 134 Cb 0.51 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 1rfu h PRO 134 CO -0.31 0.06 0.16 0.28 -0.23 0.00 0.00 178.00 177.96 1rfu h VAL 135 N 0.09 0.97 -0.35 1.56 2.07 -1.47 0.43 116.25 119.55 1rfu h VAL 135 Ca 0.18 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1rfu h VAL 135 Cb 0.26 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1rfu h VAL 135 CO -0.31 0.06 0.17 1.88 0.02 0.00 0.00 177.57 179.39 1rfu h TYR 136 N 0.34 0.51 -0.80 1.57 -1.99 -0.35 0.21 116.97 116.46 1rfu h TYR 136 Ca 0.15 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.81 1rfu h TYR 136 Cb 0.07 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 38.60 1rfu h TYR 136 CO -0.11 0.43 0.33 -0.09 -0.00 0.00 0.00 178.16 178.72 1rfu h ARG 137 N 0.44 1.19 0.00 4.88 2.43 0.22 -0.27 114.38 123.27 1rfu h ARG 137 Ca 0.12 -0.21 -0.29 0.00 -0.81 0.00 0.00 59.98 58.80 1rfu h ARG 137 Cb 0.11 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 1rfu h ARG 137 CO -0.02 0.96 -2.09 0.39 -1.51 0.00 0.00 179.97 177.70 1rfu n GLU 138 N -4.29 1.38 -0.06 0.20 1.02 0.15 -4.62 120.64 114.41 1rfu n GLU 138 Ca 0.07 -0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.14 1rfu n GLU 138 Cb 0.18 -1.41 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 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 -2.58 2.00 -0.06 3.49 5.02 0.65 -4.65 118.16 122.03 1rfu n LYS 139 Ca -0.26 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.01 1rfu n LYS 139 Cb 1.01 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.72 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 -0.87 -0.18 2.07 -1.14 -3.37 116.25 112.76 1rfu h VAL 140 Ca -0.31 -0.98 0.18 0.00 0.82 0.00 0.00 66.70 66.41 1rfu h VAL 140 Cb 1.70 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.36 1rfu h VAL 140 CO 0.01 0.00 0.41 0.58 0.02 0.00 0.00 177.57 178.59 1rfu h VAL 141 N -0.98 0.60 -0.79 2.57 2.07 -1.30 -1.12 116.25 117.30 1rfu h VAL 141 Ca 0.00 -0.17 0.19 0.00 0.82 0.00 0.00 66.70 67.53 1rfu h VAL 141 Cb 0.30 0.05 -0.13 0.00 -1.52 0.00 0.00 31.29 29.99 1rfu h VAL 141 CO 0.00 0.09 0.06 -0.65 0.02 0.00 0.00 177.57 177.09 1rfu h PRO 142 N 0.50 0.13 -0.05 1.57 0.11 -1.74 -0.22 132.00 132.30 1rfu h PRO 142 Ca 0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1rfu h PRO 142 Cb 0.86 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1rfu h PRO 142 CO -0.45 0.09 0.00 1.55 -0.21 0.00 0.00 178.00 178.98 1rfu n VAL 143 N -5.31 0.04 -3.06 3.15 3.14 -0.46 -4.37 118.33 111.47 1rfu n VAL 143 Ca 0.15 -0.24 -0.36 0.00 -2.96 0.00 0.00 64.34 60.93 1rfu n VAL 143 Cb 0.52 0.36 -0.06 0.00 -1.06 0.00 0.00 33.84 33.60 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 3.40 -0.12 1.55 0.00 -0.09 -4.86 121.76 119.68 1rfu s ALA 144 Ca 0.37 0.22 0.20 0.00 0.00 0.00 0.00 51.96 52.76 1rfu s ALA 144 Cb 0.20 -2.87 -0.22 0.00 0.00 0.00 0.00 23.12 20.24 1rfu s ALA 144 CO 0.32 0.31 0.58 -0.25 0.00 0.00 0.00 175.76 176.72 1rfu n ASP 145 N 0.79 0.34 -3.68 0.00 8.00 -0.34 -1.69 116.55 119.96 1rfu n ASP 145 Ca -0.02 0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.52 1rfu n ASP 145 Cb 0.51 1.13 -0.11 0.00 -0.02 0.00 0.00 41.12 42.63 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 -3.17 -0.29 0.09 0.53 1.01 -1.04 -2.87 121.20 115.47 1rfu s ILE 146 Ca -0.06 0.14 0.09 0.00 0.00 0.00 0.00 60.65 60.82 1rfu s ILE 146 Cb 0.11 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 1rfu s ILE 146 CO 0.85 0.06 -0.21 0.27 0.00 0.00 0.00 174.94 175.91 1rfu s ILE 147 N 1.92 2.62 -0.52 2.92 -4.36 -0.94 0.65 121.20 123.50 1rfu s ILE 147 Ca -0.06 -1.48 0.07 0.00 -0.26 0.00 0.00 60.65 58.93 1rfu s ILE 147 Cb -0.10 -2.15 0.29 0.00 1.25 0.00 0.00 42.46 41.75 1rfu s ILE 147 CO -0.12 0.18 0.75 0.35 0.24 0.00 0.00 174.94 176.34 1rfu n THR 148 N 1.11 1.42 -1.66 8.37 -2.24 -1.04 -1.85 114.28 118.38 1rfu n THR 148 Ca -0.16 -4.94 -0.31 0.00 -2.27 0.00 0.00 64.05 56.37 1rfu n THR 148 Cb 0.53 -1.54 0.04 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.45 3.09 0.21 -0.78 0.04 -0.90 -4.51 135.00 129.70 1rfu s PRO 149 Ca 0.41 0.88 -0.21 0.00 0.04 0.00 0.00 61.00 62.11 1rfu s PRO 149 Cb 0.23 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 1rfu s PRO 149 CO -0.08 -0.97 0.75 1.21 0.04 0.00 0.00 177.00 177.95 1rfu s ASN 150 N -3.92 7.16 0.20 6.66 3.04 -1.26 -2.23 114.94 124.58 1rfu s ASN 150 Ca 0.57 1.50 -0.18 0.00 0.04 0.00 0.00 52.86 54.79 1rfu s ASN 150 Cb -0.13 -2.45 0.17 0.00 -1.54 0.00 0.00 41.25 37.30 1rfu s ASN 150 CO 0.55 0.08 1.60 -0.61 -3.04 0.00 0.00 177.10 175.68 1rfu h GLN 151 N 3.67 -0.10 0.04 0.43 4.15 -1.90 1.70 115.11 123.10 1rfu h GLN 151 Ca -0.48 0.01 0.01 0.00 0.77 0.00 0.00 58.65 58.96 1rfu h GLN 151 Cb 1.20 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.87 1rfu h GLN 151 CO 0.65 -0.07 -0.38 0.35 -1.93 0.00 0.00 178.83 177.46 1rfu h PHE 152 N -0.10 -1.11 -0.24 3.99 3.57 -1.92 0.26 116.94 121.39 1rfu h PHE 152 Ca 0.26 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1rfu h PHE 152 Cb 0.52 0.48 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 1rfu h PHE 152 CO -0.58 -0.42 -0.19 0.93 -2.23 0.00 0.00 178.31 175.82 1rfu h GLU 153 N -0.51 -0.18 -0.70 1.11 5.08 -1.38 0.23 114.58 118.23 1rfu h GLU 153 Ca 0.00 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 1rfu h GLU 153 Cb 0.53 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.70 1rfu h GLU 153 CO -0.23 -0.12 0.06 0.00 -1.00 0.00 0.00 179.01 177.72 1rfu h ALA 154 N 0.94 0.77 0.53 3.43 0.00 0.31 0.48 119.26 125.71 1rfu h ALA 154 Ca 0.14 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1rfu h ALA 154 Cb 0.39 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1rfu h ALA 154 CO -0.35 -0.39 -0.33 0.93 0.00 0.00 0.00 179.25 179.11 1rfu h GLU 155 N 0.16 -0.79 -1.02 0.00 5.08 0.94 -2.06 114.58 116.88 1rfu h GLU 155 Ca 0.38 0.05 0.33 0.00 -1.00 0.00 0.00 59.36 59.12 1rfu h GLU 155 Cb 0.65 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 29.93 1rfu h GLU 155 CO -0.57 -0.53 0.59 1.25 -1.00 0.00 0.00 179.01 178.76 1rfu h LEU 156 N -0.82 0.49 0.10 1.33 5.85 0.30 0.28 115.31 122.84 1rfu h LEU 156 Ca -0.06 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1rfu h LEU 156 Cb 0.67 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1rfu h LEU 156 CO 0.06 -0.14 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.90 1rfu h LEU 157 N 0.30 -0.11 0.00 2.25 3.38 -0.00 -3.21 115.31 117.91 1rfu h LEU 157 Ca 0.74 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1rfu h LEU 157 Cb 1.74 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1rfu h LEU 157 CO -0.59 0.53 0.00 0.35 0.09 0.00 0.00 178.44 178.82 1rfu n THR 158 N -4.83 0.02 -0.91 0.22 -2.24 -0.81 -4.86 114.28 100.87 1rfu n THR 158 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1rfu n THR 158 Cb 0.26 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.21 0.26 0.00 3.38 0.00 0.92 -4.97 105.19 104.99 1rfu n GLY 159 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1rfu n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rfu n ARG 160 N -1.01 3.60 -3.70 1.61 1.74 -1.09 -4.96 116.66 112.84 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 0.21 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.54 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 2.39 0.35 0.18 5.56 2.20 -1.26 -4.45 119.74 124.70 1rfu s LYS 161 Ca 0.00 0.72 -0.19 0.00 -0.36 0.00 0.00 55.97 56.14 1rfu s LYS 161 Cb 0.00 -0.05 -0.08 0.00 -1.51 0.00 0.00 37.83 36.20 1rfu s LYS 161 CO 0.00 -0.16 0.67 0.42 -0.36 0.00 0.00 175.35 175.92 1rfu s ILE 162 N 1.35 4.64 0.00 5.43 -1.09 -1.26 -4.92 121.20 125.35 1rfu s ILE 162 Ca -0.09 1.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.53 1rfu s ILE 162 Cb -0.09 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 1rfu s ILE 162 CO -0.12 0.29 0.55 0.00 -1.23 0.00 0.00 174.94 174.43 1rfu n HIS 163 N 0.96 0.00 -3.52 3.97 1.44 -1.26 -5.05 115.22 111.76 1rfu n HIS 163 Ca -0.04 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.59 1rfu n HIS 163 Cb 0.51 0.08 -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 -0.30 -0.35 0.15 4.39 1.04 -1.26 -4.99 113.70 112.38 1rfu s SER 164 Ca 0.00 -0.02 -0.17 0.00 0.48 0.00 0.00 55.95 56.24 1rfu s SER 164 Cb 0.00 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.53 1rfu s SER 164 CO 0.00 -0.61 1.77 -0.61 0.98 0.00 0.00 173.24 174.77 1rfu h GLN 165 N 2.00 0.33 0.00 4.02 4.15 -1.99 -1.46 115.11 122.16 1rfu h GLN 165 Ca -0.22 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1rfu h GLN 165 Cb 1.24 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1rfu h GLN 165 CO 0.30 0.22 0.00 -1.91 -1.93 0.00 0.00 178.83 175.51 1rfu n GLU 166 N -4.96 0.00 -0.18 1.69 2.13 -1.26 0.43 120.64 118.50 1rfu n GLU 166 Ca 0.00 0.65 0.16 0.00 0.66 0.00 0.00 57.16 58.63 1rfu n GLU 166 Cb 0.09 -1.37 0.30 0.00 0.27 0.00 0.00 31.44 30.73 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 -2.09 -0.03 0.14 5.31 -0.58 -1.12 0.21 120.64 122.49 1rfu n GLU 167 Ca 0.00 0.76 -0.06 0.00 -0.42 0.00 0.00 57.16 57.44 1rfu n GLU 167 Cb 0.00 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 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 1.09 -0.83 -1.51 0.62 0.00 0.11 -2.72 119.26 116.02 1rfu h ALA 168 Ca 0.44 -0.08 0.46 0.00 0.00 0.00 0.00 54.91 55.73 1rfu h ALA 168 Cb 1.15 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.99 1rfu h ALA 168 CO -0.43 -0.80 1.04 -0.07 0.00 0.00 0.00 179.25 178.99 1rfu h LEU 169 N -0.47 0.13 0.45 0.00 3.38 0.59 0.31 115.31 119.69 1rfu h LEU 169 Ca -0.04 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1rfu h LEU 169 Cb 0.28 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1rfu h LEU 169 CO 0.06 -0.08 -0.21 -0.33 0.09 0.00 0.00 178.44 177.96 1rfu h GLU 170 N 0.06 -0.58 -1.06 1.13 5.08 -0.81 -2.39 114.58 116.01 1rfu h GLU 170 Ca 0.81 0.04 0.28 0.00 -1.00 0.00 0.00 59.36 59.49 1rfu h GLU 170 Cb 2.89 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 32.18 1rfu h GLU 170 CO -0.21 -0.27 0.68 0.28 -1.00 0.00 0.00 179.01 178.48 1rfu h VAL 171 N -0.90 0.49 -0.56 3.13 2.07 -0.08 1.04 116.25 121.44 1rfu h VAL 171 Ca -0.06 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 1rfu h VAL 171 Cb 0.57 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1rfu h VAL 171 CO 0.10 0.07 -0.09 0.24 0.02 0.00 0.00 177.57 177.91 1rfu h MET 172 N 0.37 1.05 -0.03 1.57 2.86 -1.30 0.87 114.93 120.32 1rfu h MET 172 Ca 0.61 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1rfu h MET 172 Cb 1.59 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.17 1rfu h MET 172 CO -0.30 1.08 0.02 -0.44 1.06 0.00 0.00 176.91 178.32 1rfu h ASP 173 N 0.93 0.03 -0.61 1.22 3.45 0.14 0.23 116.42 121.81 1rfu h ASP 173 Ca 0.15 -0.02 0.07 0.00 0.43 0.00 0.00 57.03 57.66 1rfu h ASP 173 Cb 0.66 -0.01 -0.06 0.00 -0.56 0.00 0.00 39.33 39.37 1rfu h ASP 173 CO 0.05 0.04 0.31 0.24 -1.57 0.00 0.00 179.24 178.30 1rfu h MET 174 N 0.02 0.55 0.72 3.56 2.86 0.32 0.67 114.93 123.63 1rfu h MET 174 Ca 0.01 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1rfu h MET 174 Cb 0.01 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.56 1rfu h MET 174 CO -0.00 0.36 -0.35 -0.07 1.06 0.00 0.00 176.91 177.92 1rfu h LEU 175 N 0.57 -0.82 -0.66 1.22 3.38 0.13 -2.19 115.31 116.94 1rfu h LEU 175 Ca 0.28 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.39 1rfu h LEU 175 Cb 0.23 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.07 1rfu h LEU 175 CO -0.21 -0.59 -0.37 0.45 0.09 0.00 0.00 178.44 177.81 1rfu h HIS 176 N -0.98 -1.06 -1.37 1.13 3.86 -0.16 0.53 115.15 117.11 1rfu h HIS 176 Ca -0.10 0.08 0.43 0.00 -1.16 0.00 0.00 60.37 59.62 1rfu h HIS 176 Cb 0.75 0.56 -0.11 0.00 1.06 0.00 0.00 27.41 29.66 1rfu h HIS 176 CO -0.02 -0.40 0.91 1.03 0.86 0.00 0.00 177.93 180.31 1rfu h SER 177 N -0.15 0.21 1.58 2.45 0.87 -0.34 1.69 113.55 119.87 1rfu h SER 177 Ca 0.24 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1rfu h SER 177 Cb 0.56 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1rfu h SER 177 CO -0.73 -0.13 0.00 0.24 -0.53 0.00 0.00 176.83 175.68 1rfu h MET 178 N 0.09 0.00 0.00 2.24 2.86 0.65 -3.48 114.93 117.29 1rfu h MET 178 Ca 0.80 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.44 1rfu h MET 178 Cb 2.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 34.28 1rfu h MET 178 CO -0.33 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.05 1rfu n GLY 179 N 1.15 -0.17 3.54 8.32 0.00 0.58 -3.51 105.19 115.09 1rfu n GLY 179 Ca 0.05 0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 1.02 -0.00 1.61 -0.04 -0.68 -4.88 135.00 132.02 1rfu n PRO 180 Ca 0.00 0.36 0.08 0.00 -0.04 0.00 0.00 63.50 63.90 1rfu n PRO 180 Cb 0.00 -1.76 -0.11 0.00 -0.04 0.00 0.00 33.50 31.60 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 1.02 0.99 -4.05 3.54 8.00 -1.14 -3.89 116.55 121.02 1rfu n ASP 181 Ca 0.11 -0.48 -0.29 0.00 0.71 0.00 0.00 54.79 54.84 1rfu n ASP 181 Cb 0.37 1.33 -0.17 0.00 -0.02 0.00 0.00 41.12 42.63 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 -2.77 1.53 -0.03 -3.53 2.01 -1.14 -0.44 115.64 111.29 1rfu s THR 182 Ca 0.01 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1rfu s THR 182 Cb 0.11 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.21 1rfu s THR 182 CO 0.66 0.45 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.26 1rfu s VAL 183 N 1.12 0.77 -0.03 3.82 1.01 0.87 -2.20 120.40 125.76 1rfu s VAL 183 Ca -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1rfu s VAL 183 Cb -0.14 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1rfu s VAL 183 CO -0.04 0.24 0.03 -0.69 0.00 0.00 0.00 175.10 174.64 1rfu s VAL 184 N 0.20 0.02 -0.56 2.92 1.01 -0.77 0.67 120.40 123.89 1rfu s VAL 184 Ca -0.03 0.26 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 1rfu s VAL 184 Cb -0.09 -0.19 0.08 0.00 0.00 0.00 0.00 36.38 36.18 1rfu s VAL 184 CO 0.00 0.15 0.69 -0.63 0.00 0.00 0.00 175.10 175.32 1rfu s ILE 185 N 1.56 4.79 0.23 2.22 -1.09 0.42 -2.11 121.20 127.21 1rfu s ILE 185 Ca -0.03 -0.67 0.26 0.00 -2.23 0.00 0.00 60.65 57.98 1rfu s ILE 185 Cb -0.13 -4.42 0.26 0.00 -1.58 0.00 0.00 42.46 36.60 1rfu s ILE 185 CO -0.03 -1.00 1.77 0.71 -1.23 0.00 0.00 174.94 175.16 1rfu h THR 186 N 5.90 0.00 0.00 2.92 1.35 -1.72 -2.26 112.91 119.10 1rfu h THR 186 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1rfu h THR 186 Cb 1.09 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1rfu h THR 186 CO 1.04 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.77 1rfu n SER 187 N -2.51 0.00 -3.65 5.36 3.41 -1.25 -4.58 113.62 110.40 1rfu n SER 187 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1rfu n SER 187 Cb 0.20 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.06 0.40 4.04 1.04 -0.58 -2.92 113.70 115.62 1rfu s SER 188 Ca 0.00 -0.26 0.25 0.00 0.48 0.00 0.00 55.95 56.42 1rfu s SER 188 Cb 0.00 0.26 0.65 0.00 0.10 0.00 0.00 66.02 67.03 1rfu s SER 188 CO 0.00 -0.50 1.71 0.78 0.98 0.00 0.00 173.24 176.22 1rfu h ASN 189 N 2.00 0.00 -0.35 7.02 2.35 -1.96 -3.31 115.58 121.33 1rfu h ASN 189 Ca -0.28 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.17 1rfu h ASN 189 Cb 1.21 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.58 1rfu h ASN 189 CO 0.29 0.00 0.18 0.18 -1.65 0.00 0.00 177.43 176.43 1rfu n LEU 190 N -2.88 0.31 -4.55 1.61 4.32 -1.26 -4.47 117.00 110.08 1rfu n LEU 190 Ca 0.04 0.42 -0.21 0.00 -0.02 0.00 0.00 56.01 56.24 1rfu n LEU 190 Cb 0.45 -0.32 -0.09 0.00 -1.62 0.00 0.00 43.42 41.85 1rfu n LEU 190 CO 0.31 -0.40 1.57 0.18 -1.22 0.00 0.00 177.39 177.83 1rfu n LEU 191 N 1.17 1.37 -4.59 2.23 4.77 -1.26 -4.80 117.00 115.88 1rfu n LEU 191 Ca 0.10 -1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 54.61 1rfu n LEU 191 Cb -0.01 -1.45 0.01 0.00 -2.33 0.00 0.00 43.42 39.65 1rfu n LEU 191 CO 0.29 -2.14 0.51 -1.20 -1.33 0.00 0.00 177.39 173.52 1rfu n SER 192 N 15.81 0.93 0.15 -1.43 7.64 -1.26 -4.81 113.62 130.65 1rfu n SER 192 Ca 0.49 1.01 0.19 0.00 1.01 0.00 0.00 58.87 61.57 1rfu n SER 192 Cb 0.39 -1.32 0.78 0.00 -1.01 0.00 0.00 64.21 63.05 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 1.39 0.00 -3.16 1.43 0.11 -1.98 -3.38 132.00 126.41 1rfu h PRO 193 Ca -0.44 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.34 1rfu h PRO 193 Cb 1.35 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 32.09 1rfu h PRO 193 CO 0.56 0.00 -0.68 -0.98 -0.21 0.00 0.00 178.00 176.69 1rfu s ARG 194 N -4.53 -0.01 0.21 1.05 1.70 -1.26 -5.11 118.95 111.01 1rfu s ARG 194 Ca -0.04 0.46 0.00 0.00 -0.47 0.00 0.00 55.73 55.68 1rfu s ARG 194 Cb 0.14 -0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.09 1rfu s ARG 194 CO 0.50 -0.34 0.00 0.41 -1.08 0.00 0.00 175.30 174.80 1rfu n GLY 195 N 5.31 -3.57 0.17 3.88 0.00 -1.26 -4.58 105.19 105.14 1rfu n GLY 195 Ca -0.04 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 0.53 0.00 -0.75 1.61 0.87 -1.99 -3.30 113.55 110.52 1rfu h SER 196 Ca 0.00 -0.02 -0.41 0.00 -1.23 0.00 0.00 61.79 60.14 1rfu h SER 196 Cb 0.08 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 61.88 1rfu h SER 196 CO 0.00 0.01 0.35 -0.90 -0.53 0.00 0.00 176.83 175.76 1rfu n ASP 197 N -2.81 6.38 -3.72 6.23 5.68 -1.26 -4.81 116.55 122.25 1rfu n ASP 197 Ca 0.03 -3.10 -0.12 0.00 -0.50 0.00 0.00 54.79 51.11 1rfu n ASP 197 Cb 0.52 -1.18 -0.12 0.00 -1.14 0.00 0.00 41.12 39.20 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 -1.56 -0.46 -0.03 2.11 1.51 -1.24 -3.25 117.35 114.43 1rfu s TYR 198 Ca 0.48 1.03 -0.13 0.00 -1.01 0.00 0.00 57.07 57.44 1rfu s TYR 198 Cb 0.32 0.16 -0.05 0.00 -0.11 0.00 0.00 41.96 42.28 1rfu s TYR 198 CO -0.12 -0.27 0.36 -0.51 -1.11 0.00 0.00 175.55 173.89 1rfu s LEU 199 N 1.12 4.45 -0.07 -1.29 1.43 0.14 -4.77 118.68 119.68 1rfu s LEU 199 Ca -0.08 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1rfu s LEU 199 Cb -0.08 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 1rfu s LEU 199 CO -0.09 0.33 -0.05 -0.32 0.23 0.00 0.00 176.35 176.45 1rfu s MET 200 N -1.01 2.81 -0.01 1.70 -2.45 -1.25 0.13 119.30 119.22 1rfu s MET 200 Ca 0.22 -0.51 0.02 0.00 -1.25 0.00 0.00 55.69 54.17 1rfu s MET 200 Cb -0.16 -2.64 -0.00 0.00 1.25 0.00 0.00 34.83 33.28 1rfu s MET 200 CO 0.11 0.67 -0.07 0.00 1.05 0.00 0.00 175.02 176.78 1rfu s ALA 201 N -0.81 0.65 -0.07 4.11 0.00 0.28 -1.53 121.76 124.38 1rfu s ALA 201 Ca 0.12 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1rfu s ALA 201 Cb -0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1rfu s ALA 201 CO 0.02 0.13 -0.22 -0.51 0.00 0.00 0.00 175.76 175.18 1rfu s LEU 202 N 0.00 2.00 -0.11 0.00 1.43 -0.85 0.16 118.68 121.31 1rfu s LEU 202 Ca 0.00 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1rfu s LEU 202 Cb -0.05 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 44.94 1rfu s LEU 202 CO -0.00 0.17 -0.14 -0.83 0.23 0.00 0.00 176.35 175.78 1rfu s GLY 203 N 0.15 1.03 -0.00 -3.19 0.00 0.18 -0.44 107.32 105.05 1rfu s GLY 203 Ca -0.10 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 43.93 1rfu s GLY 203 CO 0.05 0.31 -0.13 -0.45 0.00 0.00 0.00 173.10 172.88 1rfu s SER 204 N 1.09 4.13 -0.01 1.64 0.15 0.21 -1.07 113.70 119.84 1rfu s SER 204 Ca -0.04 -0.26 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 1rfu s SER 204 Cb -0.14 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 1rfu s SER 204 CO -0.03 0.29 0.05 -1.58 1.20 0.00 0.00 173.24 173.17 1rfu s GLN 205 N -1.19 0.11 -0.08 5.44 0.74 0.19 -0.09 119.66 124.78 1rfu s GLN 205 Ca 0.14 -0.03 -0.00 0.00 0.05 0.00 0.00 55.36 55.52 1rfu s GLN 205 Cb -0.11 0.05 0.02 0.00 1.10 0.00 0.00 33.01 34.07 1rfu s GLN 205 CO 0.04 -0.02 -0.04 0.50 -0.55 0.00 0.00 175.29 175.23 1rfu s ARG 206 N -0.20 1.00 0.04 1.67 3.52 0.42 -0.31 118.95 125.08 1rfu s ARG 206 Ca -0.02 -0.08 0.08 0.00 -0.13 0.00 0.00 55.73 55.57 1rfu s ARG 206 Cb -0.02 -1.15 -0.02 0.00 -1.56 0.00 0.00 34.95 32.20 1rfu s ARG 206 CO 0.00 -0.22 -0.22 0.99 -0.81 0.00 0.00 175.30 175.05 1rfu s THR 207 N 1.55 1.75 -0.47 4.11 2.01 0.20 -4.81 115.64 119.97 1rfu s THR 207 Ca -0.00 -1.19 -0.09 0.00 0.31 0.00 0.00 61.69 60.71 1rfu s THR 207 Cb -0.13 -1.51 0.12 0.00 0.01 0.00 0.00 72.50 70.99 1rfu s THR 207 CO -0.04 0.27 0.35 -0.13 -0.69 0.00 0.00 174.62 174.37 1rfu s ARG 208 N -1.10 2.50 1.01 4.92 1.81 -1.26 0.06 118.95 126.88 1rfu s ARG 208 Ca 0.08 -1.76 -0.13 0.00 -1.72 0.00 0.00 55.73 52.21 1rfu s ARG 208 Cb -0.09 -3.94 0.13 0.00 -0.45 0.00 0.00 34.95 30.60 1rfu s ARG 208 CO 0.01 -1.19 0.69 0.00 -0.68 0.00 0.00 175.30 174.13 1rfu n ALA 209 N 4.92 -2.32 1.52 2.13 0.00 0.11 -4.83 120.51 122.04 1rfu n ALA 209 Ca -0.08 -0.80 0.12 0.00 0.00 0.00 0.00 53.44 52.68 1rfu n ALA 209 Cb 0.41 -1.92 0.71 0.00 0.00 0.00 0.00 19.45 18.65 1rfu n ALA 209 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1rfu n PRO 210 N -3.16 0.76 -0.23 0.00 -0.02 -1.26 -1.90 135.00 129.18 1rfu n PRO 210 Ca 0.07 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.63 1rfu n PRO 210 Cb 0.54 -1.49 0.21 0.00 -0.02 0.00 0.00 33.50 32.74 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 -0.99 3.27 0.00 2.55 5.68 -1.26 -4.97 116.55 120.83 1rfu n ASP 211 Ca 0.18 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 1rfu n ASP 211 Cb 0.08 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 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 1.02 2.83 3.75 6.12 0.00 -0.80 -5.02 105.19 113.09 1rfu n GLY 212 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1rfu n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rfu s SER 213 N 0.20 5.41 -0.38 1.61 1.04 -1.26 -4.65 113.70 115.66 1rfu s SER 213 Ca 0.00 2.73 -0.06 0.00 0.48 0.00 0.00 55.95 59.10 1rfu s SER 213 Cb 0.00 -2.63 0.07 0.00 0.10 0.00 0.00 66.02 63.56 1rfu s SER 213 CO 0.00 -1.47 0.17 0.68 0.98 0.00 0.00 173.24 173.60 1rfu s VAL 214 N -1.32 3.70 -0.12 5.02 -7.23 -1.26 0.10 120.40 119.30 1rfu s VAL 214 Ca 0.70 -1.50 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 1rfu s VAL 214 Cb -0.39 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 1rfu s VAL 214 CO 0.47 -0.42 1.02 0.54 -0.31 0.00 0.00 175.10 176.40 1rfu s VAL 215 N 1.32 4.76 -0.06 1.32 0.11 0.11 -4.86 120.40 123.09 1rfu s VAL 215 Ca 0.02 2.03 0.02 0.00 -2.93 0.00 0.00 61.98 61.12 1rfu s VAL 215 Cb -0.22 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.30 1rfu s VAL 215 CO 0.00 -0.01 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.76 1rfu s THR 216 N 2.14 3.40 -0.09 5.04 2.01 -1.26 -0.63 115.64 126.24 1rfu s THR 216 Ca 0.48 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.93 1rfu s THR 216 Cb -0.18 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 69.96 1rfu s THR 216 CO 0.17 0.59 -0.23 -1.10 -0.69 0.00 0.00 174.62 173.36 1rfu s GLN 217 N -0.71 2.86 -0.05 4.92 -0.21 0.57 -5.01 119.66 122.04 1rfu s GLN 217 Ca 0.11 -0.83 -0.01 0.00 0.02 0.00 0.00 55.36 54.65 1rfu s GLN 217 Cb -0.11 -2.19 0.03 0.00 1.00 0.00 0.00 33.01 31.74 1rfu s GLN 217 CO 0.01 0.18 0.00 1.03 -2.12 0.00 0.00 175.29 174.39 1rfu s ARG 218 N 0.34 0.43 -0.00 2.91 1.81 -1.26 -0.63 118.95 122.53 1rfu s ARG 218 Ca -0.17 0.11 0.01 0.00 -1.72 0.00 0.00 55.73 53.96 1rfu s ARG 218 Cb -0.17 -0.72 -0.00 0.00 -0.45 0.00 0.00 34.95 33.61 1rfu s ARG 218 CO 0.08 -0.22 -0.04 0.96 -0.68 0.00 0.00 175.30 175.40 1rfu s ILE 219 N 1.54 0.32 0.10 1.52 -4.36 -0.23 -1.59 121.20 118.49 1rfu s ILE 219 Ca -0.02 -0.17 0.09 0.00 -0.26 0.00 0.00 60.65 60.29 1rfu s ILE 219 Cb -0.13 -0.28 -0.04 0.00 1.25 0.00 0.00 42.46 43.26 1rfu s ILE 219 CO -0.03 0.10 -0.21 -0.60 0.24 0.00 0.00 174.94 174.43 1rfu s ARG 220 N -0.04 1.74 0.01 0.37 3.52 0.08 0.51 118.95 125.14 1rfu s ARG 220 Ca 0.01 -1.18 -0.00 0.00 -0.13 0.00 0.00 55.73 54.43 1rfu s ARG 220 Cb -0.02 -2.06 -0.01 0.00 -1.56 0.00 0.00 34.95 31.30 1rfu s ARG 220 CO -0.00 0.49 -0.01 -1.64 -0.81 0.00 0.00 175.30 173.33 1rfu s MET 221 N -1.90 0.16 -0.25 5.12 -1.94 0.12 -0.72 119.30 119.89 1rfu s MET 221 Ca 0.16 -0.28 -0.04 0.00 -1.71 0.00 0.00 55.69 53.82 1rfu s MET 221 Cb -0.10 0.06 0.01 0.00 2.01 0.00 0.00 34.83 36.80 1rfu s MET 221 CO 0.07 -0.03 -0.02 -1.21 -0.01 0.00 0.00 175.02 173.83 1rfu s GLU 222 N -0.69 3.12 0.09 2.03 2.02 -1.26 -0.56 118.70 123.45 1rfu s GLU 222 Ca -0.08 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.14 1rfu s GLU 222 Cb -0.05 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 1rfu s GLU 222 CO -0.00 -0.33 0.09 -1.64 0.02 0.00 0.00 175.26 173.40 1rfu s MET 223 N 1.43 2.89 -0.28 1.61 -1.94 0.34 -4.87 119.30 118.48 1rfu s MET 223 Ca 0.03 -0.71 -0.25 0.00 -1.71 0.00 0.00 55.69 53.04 1rfu s MET 223 Cb -0.16 -2.72 0.00 0.00 2.01 0.00 0.00 34.83 33.97 1rfu s MET 223 CO -0.02 0.56 0.88 -1.58 -0.01 0.00 0.00 175.02 174.84 1rfu s HIS 224 N -1.44 3.24 0.25 -0.03 2.46 -1.26 0.24 115.29 118.76 1rfu s HIS 224 Ca 0.30 1.06 -0.30 0.00 0.47 0.00 0.00 55.06 56.59 1rfu s HIS 224 Cb -0.12 -3.25 -0.10 0.00 -0.13 0.00 0.00 32.58 28.98 1rfu s HIS 224 CO 0.22 -0.54 1.36 0.21 -2.47 0.00 0.00 174.74 173.52 1rfu s LYS 225 N 3.07 4.34 -0.10 2.88 2.20 -1.20 -4.80 119.74 126.12 1rfu s LYS 225 Ca 0.37 2.19 -0.09 0.00 -0.36 0.00 0.00 55.97 58.08 1rfu s LYS 225 Cb -0.14 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 1rfu s LYS 225 CO 0.11 -0.30 0.19 0.08 -0.36 0.00 0.00 175.35 175.07 1rfu s VAL 226 N -0.26 5.42 -0.43 4.02 1.01 -1.26 -4.88 120.40 124.02 1rfu s VAL 226 Ca 0.56 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 1rfu s VAL 226 Cb -0.39 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 1rfu s VAL 226 CO 0.44 0.60 1.86 -0.67 0.00 0.00 0.00 175.10 177.34 1rfu n ASP 227 N 2.03 3.24 -3.62 3.32 -0.08 -1.26 -4.75 116.55 115.43 1rfu n ASP 227 Ca -0.19 -2.12 -0.06 0.00 -1.51 0.00 0.00 54.79 50.91 1rfu n ASP 227 Cb 0.54 -0.83 -0.02 0.00 2.34 0.00 0.00 41.12 43.16 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 3.12 -1.73 -0.36 -1.67 0.00 -1.26 -5.03 121.76 114.83 1rfu s ALA 228 Ca 0.30 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 1rfu s ALA 228 Cb 0.10 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.83 1rfu s ALA 228 CO -0.02 -0.86 0.15 0.08 0.00 0.00 0.00 175.76 175.11 1rfu s VAL 229 N -3.23 3.75 0.50 0.00 1.01 -1.26 -5.09 120.40 116.08 1rfu s VAL 229 Ca 0.08 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 60.76 1rfu s VAL 229 Cb -0.01 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.17 1rfu s VAL 229 CO -0.04 -0.32 0.70 -0.36 0.00 0.00 0.00 175.10 175.08 1rfu s PHE 230 N 1.36 2.73 -0.04 5.22 0.40 -1.26 -4.97 117.98 121.42 1rfu s PHE 230 Ca 0.00 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1rfu s PHE 230 Cb -0.21 -2.58 0.03 0.00 0.51 0.00 0.00 43.02 40.77 1rfu s PHE 230 CO 0.01 -0.73 0.08 0.08 0.70 0.00 0.00 175.22 175.37 1rfu s VAL 231 N -2.60 -0.05 0.00 -0.44 1.01 -1.26 -4.74 120.40 112.32 1rfu s VAL 231 Ca 0.57 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1rfu s VAL 231 Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1rfu s VAL 231 CO 0.36 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1rfu n GLY 232 N 4.15 2.47 0.32 4.51 0.00 -1.26 -4.69 105.19 110.68 1rfu n GLY 232 Ca -0.27 0.00 -0.09 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 0.30 -0.55 2.61 1.35 -1.86 -0.79 112.91 113.96 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 0.30 -0.11 0.00 -1.73 0.00 0.00 68.15 66.62 1rfu h THR 233 CO 0.00 0.00 -0.38 1.23 -0.25 0.00 0.00 175.52 176.12 1rfu h GLY 234 N -0.31 -0.29 0.69 5.82 0.00 -1.95 0.47 103.07 107.50 1rfu h GLY 234 Ca 0.13 0.49 0.07 0.00 0.00 0.00 0.00 47.33 48.02 1rfu h GLY 234 CO -0.41 -0.19 0.54 -0.55 0.00 0.00 0.00 176.54 175.93 1rfu h ASP 235 N -0.21 0.85 -0.24 0.19 3.32 -1.76 -1.91 116.42 116.65 1rfu h ASP 235 Ca 0.20 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1rfu h ASP 235 Cb 0.56 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1rfu h ASP 235 CO -0.66 0.53 0.16 0.25 -1.72 0.00 0.00 179.24 177.80 1rfu h LEU 236 N 0.98 0.28 -0.00 1.55 5.85 0.46 -2.59 115.31 121.83 1rfu h LEU 236 Ca 0.39 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.11 1rfu h LEU 236 Cb 0.20 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1rfu h LEU 236 CO -0.18 0.21 -0.28 0.15 -0.34 0.00 0.00 178.44 178.00 1rfu h PHE 237 N 0.32 -0.82 -0.54 1.25 3.57 -0.43 -1.05 116.94 119.25 1rfu h PHE 237 Ca 0.09 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.72 1rfu h PHE 237 Cb -0.03 0.36 -0.11 0.00 2.79 0.00 0.00 35.95 38.96 1rfu h PHE 237 CO -0.06 -0.30 -0.18 0.00 -2.23 0.00 0.00 178.31 175.54 1rfu h ALA 238 N -0.94 0.26 -0.41 2.41 0.00 -1.35 1.63 119.26 120.87 1rfu h ALA 238 Ca 0.01 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1rfu h ALA 238 Cb 0.37 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1rfu h ALA 238 CO -0.19 -0.49 0.11 0.00 0.00 0.00 0.00 179.25 178.67 1rfu h ALA 239 N 1.40 0.46 -0.28 0.00 0.00 -1.21 0.97 119.26 120.60 1rfu h ALA 239 Ca 0.26 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 1rfu h ALA 239 Cb 0.45 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rfu h ALA 239 CO -0.58 -0.29 -0.38 0.52 0.00 0.00 0.00 179.25 178.51 1rfu h MET 240 N 0.25 0.76 -0.47 0.00 2.07 0.15 -2.57 114.93 115.11 1rfu h MET 240 Ca 0.19 -0.44 0.09 0.00 -2.07 0.00 0.00 59.70 57.47 1rfu h MET 240 Cb 0.21 0.03 -0.08 0.00 -1.87 0.00 0.00 31.60 29.90 1rfu h MET 240 CO -0.23 1.06 0.01 1.25 1.07 0.00 0.00 176.91 180.07 1rfu h LEU 241 N 0.51 -0.18 -2.00 1.22 5.85 0.34 0.91 115.31 121.96 1rfu h LEU 241 Ca 0.03 0.11 0.17 0.00 0.84 0.00 0.00 57.88 59.03 1rfu h LEU 241 Cb 0.97 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1rfu h LEU 241 CO 0.09 -0.05 0.44 0.25 -0.34 0.00 0.00 178.44 178.82 1rfu h LEU 242 N 0.12 0.00 0.10 2.25 6.46 0.12 -1.87 115.31 122.50 1rfu h LEU 242 Ca 0.23 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.69 1rfu h LEU 242 Cb 0.34 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1rfu h LEU 242 CO -0.38 0.00 -1.56 0.00 -0.62 0.00 0.00 178.44 175.88 1rfu h ALA 243 N 1.67 0.35 0.12 1.25 0.00 0.12 -3.26 119.26 119.50 1rfu h ALA 243 Ca 0.28 -1.16 -0.30 0.00 0.00 0.00 0.00 54.91 53.72 1rfu h ALA 243 Cb 1.15 0.32 0.03 0.00 0.00 0.00 0.00 17.79 19.29 1rfu h ALA 243 CO -0.00 1.21 -1.25 -1.49 0.00 0.00 0.00 179.25 177.72 1rfu h TRP 244 N 0.06 1.01 0.00 0.00 -0.00 -0.35 -3.07 115.95 113.59 1rfu h TRP 244 Ca -0.25 -0.64 -0.02 0.00 -0.00 0.00 0.00 58.89 57.99 1rfu h TRP 244 Cb 2.01 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 31.08 1rfu h TRP 244 CO 0.05 1.48 -0.08 1.79 -0.00 0.00 0.00 178.44 181.68 1rfu h THR 245 N 0.28 0.84 -0.05 1.49 1.35 -1.55 1.10 112.91 116.37 1rfu h THR 245 Ca -0.19 -0.28 -0.08 0.00 -0.55 0.00 0.00 66.41 65.30 1rfu h THR 245 Cb 1.92 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 69.49 1rfu h THR 245 CO 0.24 0.08 -0.36 -0.74 -0.25 0.00 0.00 175.52 174.49 1rfu h HIS 246 N 0.00 0.10 0.20 4.73 -0.00 -1.58 1.00 115.15 119.60 1rfu h HIS 246 Ca -0.00 -0.02 -0.33 0.00 -0.00 0.00 0.00 60.37 60.02 1rfu h HIS 246 Cb 0.16 -0.02 0.02 0.00 -0.00 0.00 0.00 27.41 27.56 1rfu h HIS 246 CO 0.00 0.44 -1.58 -0.22 -0.00 0.00 0.00 177.93 176.57 1rfu h LYS 247 N 0.08 0.43 -2.58 5.26 1.63 0.16 -3.40 116.57 118.15 1rfu h LYS 247 Ca 0.01 -0.74 -0.60 0.00 -0.85 0.00 0.00 60.65 58.46 1rfu h LYS 247 Cb 0.67 0.28 -0.41 0.00 -0.60 0.00 0.00 32.23 32.17 1rfu h LYS 247 CO 0.05 1.35 -0.68 0.72 -3.45 0.00 0.00 179.45 177.44 1rfu n HIS 248 N -3.70 2.52 0.31 1.91 8.25 0.32 -4.91 115.22 119.92 1rfu n HIS 248 Ca -0.21 -4.06 0.18 0.00 -0.26 0.00 0.00 57.72 53.37 1rfu n HIS 248 Cb 1.06 -0.47 1.03 0.00 1.12 0.00 0.00 29.99 32.74 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 4.86 0.00 -0.74 -0.41 0.13 -1.03 -2.49 132.00 132.33 1rfu h PRO 249 Ca 0.17 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.78 1rfu h PRO 249 Cb 0.75 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.45 1rfu h PRO 249 CO 0.69 0.01 -0.84 0.09 -0.23 0.00 0.00 178.00 177.71 1rfu n ASN 250 N -3.51 4.66 -2.76 1.44 3.02 -1.26 -4.74 115.26 112.10 1rfu n ASN 250 Ca -0.03 -3.61 -0.10 0.00 -0.03 0.00 0.00 54.58 50.81 1rfu n ASN 250 Cb 0.09 -0.35 0.05 0.00 -0.61 0.00 0.00 39.78 38.95 1rfu n ASN 250 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rfu n ASN 251 N -0.70 0.29 -0.35 6.41 2.85 -0.94 -4.94 115.26 117.89 1rfu n ASN 251 Ca 0.41 -2.77 0.29 0.00 -0.11 0.00 0.00 54.58 52.39 1rfu n ASN 251 Cb 0.95 -0.01 0.54 0.00 1.24 0.00 0.00 39.78 42.50 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 2.77 0.41 0.80 1.20 5.85 -1.85 0.37 115.31 124.85 1rfu h LEU 252 Ca -0.11 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1rfu h LEU 252 Cb 1.17 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1rfu h LEU 252 CO 0.34 -0.22 -0.49 0.50 -0.34 0.00 0.00 178.44 178.23 1rfu h LYS 253 N 0.19 -1.16 0.26 1.25 3.64 -1.95 0.14 116.57 118.95 1rfu h LYS 253 Ca 0.78 0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 60.24 1rfu h LYS 253 Cb 2.01 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 34.08 1rfu h LYS 253 CO -0.60 -0.78 -0.22 0.28 -2.27 0.00 0.00 179.45 175.87 1rfu h VAL 254 N -1.21 0.54 -0.56 2.00 2.07 -0.85 0.29 116.25 118.53 1rfu h VAL 254 Ca -0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.52 1rfu h VAL 254 Cb 0.97 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 1rfu h VAL 254 CO 0.11 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.78 1rfu h ALA 255 N 0.19 0.62 -0.67 1.67 0.00 -0.54 -0.64 119.26 119.90 1rfu h ALA 255 Ca -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1rfu h ALA 255 Cb 0.44 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1rfu h ALA 255 CO -0.02 -0.33 0.26 0.00 0.00 0.00 0.00 179.25 179.15 1rfu h GLU 257 N 0.95 -0.63 0.11 0.00 5.08 0.99 -0.28 114.58 120.79 1rfu h GLU 257 Ca 0.22 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1rfu h GLU 257 Cb 0.22 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1rfu h GLU 257 CO -0.02 -0.42 -0.40 0.87 -1.00 0.00 0.00 179.01 178.04 1rfu h LYS 258 N -0.66 -0.56 -0.38 2.33 1.57 -1.19 0.88 116.57 118.57 1rfu h LYS 258 Ca -0.05 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1rfu h LYS 258 Cb 0.54 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 1rfu h LYS 258 CO 0.05 -0.37 -0.26 1.15 -0.57 0.00 0.00 179.45 179.44 1rfu h THR 259 N -0.58 0.00 -0.58 -0.16 2.02 -1.39 0.21 112.91 112.43 1rfu h THR 259 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.30 1rfu h THR 259 Cb 0.58 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1rfu h THR 259 CO -0.21 0.00 0.40 0.58 0.37 0.00 0.00 175.52 176.66 1rfu h VAL 260 N -0.05 0.82 0.54 3.16 2.07 -0.92 0.11 116.25 121.98 1rfu h VAL 260 Ca 0.06 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1rfu h VAL 260 Cb 0.21 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1rfu h VAL 260 CO -0.38 0.04 -0.26 0.28 0.02 0.00 0.00 177.57 177.28 1rfu h SER 261 N 0.24 -0.61 -0.72 0.57 0.02 0.19 -0.21 113.55 113.03 1rfu h SER 261 Ca 0.28 -0.04 0.16 0.00 -0.84 0.00 0.00 61.79 61.34 1rfu h SER 261 Cb 0.76 0.16 -0.13 0.00 0.14 0.00 0.00 62.40 63.33 1rfu h SER 261 CO -0.05 -0.33 -0.04 0.00 -1.14 0.00 0.00 176.83 175.26 1rfu h ALA 262 N -0.49 0.67 -0.30 3.77 0.00 0.28 0.34 119.26 123.54 1rfu h ALA 262 Ca -0.07 0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1rfu h ALA 262 Cb 0.61 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1rfu h ALA 262 CO 0.12 -0.42 -0.35 1.98 0.00 0.00 0.00 179.25 180.59 1rfu h MET 263 N 0.08 -0.31 -0.17 0.00 4.05 -0.43 0.56 114.93 118.70 1rfu h MET 263 Ca 0.38 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.87 1rfu h MET 263 Cb 0.64 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.45 1rfu h MET 263 CO -0.66 -0.21 -0.25 1.25 0.23 0.00 0.00 176.91 177.27 1rfu h HIS 264 N -0.33 -0.68 0.00 1.39 6.17 0.15 0.25 115.15 122.10 1rfu h HIS 264 Ca 0.14 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.25 1rfu h HIS 264 Cb 0.55 0.33 0.00 0.00 2.52 0.00 0.00 27.41 30.81 1rfu h HIS 264 CO -0.51 -0.33 0.00 0.72 0.71 0.00 0.00 177.93 178.52 1rfu n HIS 265 N -5.38 0.00 -0.33 5.26 -0.00 -0.61 0.14 115.22 114.31 1rfu n HIS 265 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.64 1rfu n HIS 265 Cb 0.29 -0.45 -0.03 0.00 -0.00 0.00 0.00 29.99 29.80 1rfu n HIS 265 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1rfu n VAL 266 N -2.16 -0.50 -0.07 1.59 0.31 0.13 0.06 118.33 117.69 1rfu n VAL 266 Ca 0.00 1.94 -0.09 0.00 -0.01 0.00 0.00 64.34 66.19 1rfu n VAL 266 Cb 0.00 -2.47 -0.02 0.00 -0.91 0.00 0.00 33.84 30.44 1rfu n VAL 266 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1rfu h LEU 267 N 0.00 0.19 -0.51 7.52 3.38 -0.12 -0.56 115.31 125.20 1rfu h LEU 267 Ca 0.19 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1rfu h LEU 267 Cb 0.40 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1rfu h LEU 267 CO -0.78 0.14 0.16 1.56 0.09 0.00 0.00 178.44 179.61 1rfu h GLN 268 N 0.27 0.31 -0.61 1.13 1.08 0.52 -0.51 115.11 117.30 1rfu h GLN 268 Ca 0.11 -0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.36 1rfu h GLN 268 Cb 0.03 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.33 1rfu h GLN 268 CO -0.07 0.21 0.28 -0.09 -0.95 0.00 0.00 178.83 178.20 1rfu h ARG 269 N 0.32 0.49 0.66 1.46 2.43 -0.36 -2.06 114.38 117.32 1rfu h ARG 269 Ca 0.25 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1rfu h ARG 269 Cb 0.29 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1rfu h ARG 269 CO -0.28 0.32 -0.32 1.15 -1.51 0.00 0.00 179.97 179.34 1rfu h THR 270 N 0.50 0.32 -0.47 0.20 2.02 0.35 -2.48 112.91 113.36 1rfu h THR 270 Ca 0.29 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.46 1rfu h THR 270 Cb 0.29 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1rfu h THR 270 CO -0.24 0.01 0.32 -0.29 0.37 0.00 0.00 175.52 175.69 1rfu h ILE 271 N -0.96 0.91 0.56 3.11 6.09 -1.01 0.15 117.51 126.37 1rfu h ILE 271 Ca -0.09 -0.10 -0.03 0.00 -1.37 0.00 0.00 64.86 63.27 1rfu h ILE 271 Cb 0.70 0.59 0.01 0.00 0.47 0.00 0.00 36.82 38.59 1rfu h ILE 271 CO 0.15 0.05 -0.27 0.50 -3.07 0.00 0.00 178.15 175.51 1rfu h LYS 272 N 0.30 -0.73 -0.22 2.19 3.64 -1.14 0.60 116.57 121.21 1rfu h LYS 272 Ca 0.21 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.70 1rfu h LYS 272 Cb 0.46 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 1rfu h LYS 272 CO -0.05 -0.49 -0.19 0.00 -2.27 0.00 0.00 179.45 176.46 1rfu h ALA 274 N 0.90 -0.42 -0.04 0.00 0.00 -0.64 0.88 119.26 119.93 1rfu h ALA 274 Ca 0.13 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1rfu h ALA 274 Cb 0.39 1.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1rfu h ALA 274 CO -0.33 -0.88 0.06 0.87 0.00 0.00 0.00 179.25 178.97 1rfu h LYS 275 N -0.24 0.00 -0.20 0.00 1.57 -0.41 -1.57 116.57 115.72 1rfu h LYS 275 Ca 0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1rfu h LYS 275 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1rfu h LYS 275 CO -0.70 0.00 -0.13 0.00 -0.57 0.00 0.00 179.45 178.05 1rfu h ALA 276 N 1.93 0.29 0.00 3.86 0.00 0.15 0.18 119.26 125.66 1rfu h ALA 276 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1rfu h ALA 276 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rfu h ALA 276 CO -0.00 0.16 0.00 0.87 0.00 0.00 0.00 179.25 180.28 1rfu h LYS 277 N 0.13 0.00 0.01 0.00 1.57 -0.43 -3.23 116.57 114.61 1rfu h LYS 277 Ca 0.04 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.49 1rfu h LYS 277 Cb 0.65 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 1rfu h LYS 277 CO 0.04 0.00 -2.01 -1.13 -0.57 0.00 0.00 179.45 175.78 1rfu n SER 278 N -2.97 0.64 0.00 0.86 3.41 -0.67 -5.08 113.62 109.82 1rfu n SER 278 Ca 0.02 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1rfu n SER 278 Cb 0.37 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 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 1.68 0.79 3.76 5.00 0.00 0.03 -4.68 105.19 111.77 1rfu n GLY 279 Ca -0.25 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 1rfu n GLY 279 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rfu s GLU 280 N -2.96 3.64 -1.44 1.61 -1.05 -1.26 -2.78 118.70 114.46 1rfu s GLU 280 Ca 0.00 2.26 -0.08 0.00 -0.15 0.00 0.00 54.97 57.01 1rfu s GLU 280 Cb 0.00 -2.58 0.04 0.00 -0.44 0.00 0.00 34.13 31.15 1rfu s GLU 280 CO 0.00 -0.80 0.62 0.41 0.95 0.00 0.00 175.26 176.45 1rfu n GLY 281 N 0.62 -0.51 3.02 -3.83 0.00 -1.26 -4.97 105.19 98.27 1rfu n GLY 281 Ca 0.06 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.10 -0.03 -0.07 1.61 1.01 -1.12 -5.15 120.40 113.56 1rfu s VAL 282 Ca 0.39 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 1rfu s VAL 282 Cb -0.19 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1rfu s VAL 282 CO 0.48 0.04 0.73 -0.54 0.00 0.00 0.00 175.10 175.81 1rfu s LYS 283 N 0.80 4.43 0.28 2.72 -0.14 -1.26 -4.59 119.74 121.99 1rfu s LYS 283 Ca -0.06 0.93 -0.30 0.00 -1.36 0.00 0.00 55.97 55.18 1rfu s LYS 283 Cb -0.07 -3.46 -0.13 0.00 -1.68 0.00 0.00 37.83 32.48 1rfu s LYS 283 CO -0.04 0.02 1.30 -2.30 -0.76 0.00 0.00 175.35 173.56 1rfu n PRO 284 N 3.93 1.93 -2.57 -1.68 -0.02 -1.26 -4.97 135.00 130.36 1rfu n PRO 284 Ca -0.00 0.68 -0.26 0.00 -2.02 0.00 0.00 63.50 61.90 1rfu n PRO 284 Cb 0.51 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1rfu n PRO 284 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rfu s SER 285 N -0.07 5.87 0.41 2.55 1.04 -1.26 -4.85 113.70 117.39 1rfu s SER 285 Ca 0.62 0.73 0.17 0.00 0.48 0.00 0.00 55.95 57.95 1rfu s SER 285 Cb -0.64 -1.88 1.07 0.00 0.10 0.00 0.00 66.02 64.68 1rfu s SER 285 CO 0.56 -0.83 1.83 1.55 0.98 0.00 0.00 173.24 177.33 1rfu h PRO 286 N 0.05 0.41 -0.47 4.02 0.13 -1.93 0.37 132.00 134.59 1rfu h PRO 286 Ca -0.46 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1rfu h PRO 286 Cb 1.24 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1rfu h PRO 286 CO 0.61 0.27 -0.21 0.00 -0.23 0.00 0.00 178.00 178.44 1rfu h ALA 287 N 1.61 0.75 0.00 -0.56 0.00 -1.96 -2.35 119.26 116.75 1rfu h ALA 287 Ca 0.50 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rfu h ALA 287 Cb 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 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 -4.11 0.24 -0.11 0.00 6.02 0.11 -3.20 117.38 116.32 1rfu n GLN 288 Ca 0.00 0.06 0.10 0.00 -0.01 0.00 0.00 57.00 57.16 1rfu n GLN 288 Cb 0.45 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.36 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 -1.36 3.07 -4.64 1.08 4.77 0.05 -4.11 117.00 115.85 1rfu n LEU 289 Ca 0.10 -1.35 -0.44 0.00 -0.03 0.00 0.00 56.01 54.29 1rfu n LEU 289 Cb 0.23 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1rfu n LEU 289 CO 0.20 0.63 0.75 -0.62 -1.33 0.00 0.00 177.39 177.02 1rfu n GLU 290 N 1.24 1.75 -1.91 3.23 -0.58 -1.18 -4.78 120.64 118.40 1rfu n GLU 290 Ca 0.15 0.61 -0.39 0.00 -0.42 0.00 0.00 57.16 57.12 1rfu n GLU 290 Cb 0.54 -2.10 0.02 0.00 -0.57 0.00 0.00 31.44 29.33 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 -0.26 4.01 -1.17 -4.62 1.43 -1.26 -4.89 118.68 111.92 1rfu s LEU 291 Ca 0.58 2.72 -0.10 0.00 -1.03 0.00 0.00 54.13 56.30 1rfu s LEU 291 Cb -0.64 -4.11 0.23 0.00 0.03 0.00 0.00 46.19 41.70 1rfu s LEU 291 CO 0.60 -1.23 1.42 0.54 0.23 0.00 0.00 176.35 177.91 1rfu n ARG 292 N -0.50 3.65 0.00 1.70 1.74 -1.26 -4.74 116.66 117.25 1rfu n ARG 292 Ca 0.07 -4.10 0.00 0.00 -0.77 0.00 0.00 57.85 53.05 1rfu n ARG 292 Cb 0.44 -2.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 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 3.70 0.00 -0.29 5.56 0.00 -1.26 -2.80 117.12 122.03 1rfu n MET 293 Ca 0.32 0.15 0.02 0.00 -0.00 0.00 0.00 57.70 58.18 1rfu n MET 293 Cb 0.39 -1.14 0.06 0.00 0.00 0.00 0.00 33.22 32.54 1rfu n MET 293 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1rfu n VAL 294 N -0.92 -0.37 0.30 1.12 0.31 -1.26 0.19 118.33 117.69 1rfu n VAL 294 Ca 0.00 1.80 0.19 0.00 -0.01 0.00 0.00 64.34 66.32 1rfu n VAL 294 Cb 0.00 -2.43 1.01 0.00 -0.91 0.00 0.00 33.84 31.51 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 -0.58 115.11 124.95 1rfu h GLN 295 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 1rfu h GLN 295 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.04 1rfu h GLN 295 CO -0.78 0.00 0.00 0.43 -1.50 0.00 0.00 178.83 176.98 1rfu n SER 296 N -3.45 3.86 -0.32 1.46 7.64 0.51 -4.64 113.62 118.68 1rfu n SER 296 Ca -0.02 -2.05 -0.10 0.00 1.01 0.00 0.00 58.87 57.71 1rfu n SER 296 Cb 0.16 -0.45 -0.09 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 3.87 -0.06 -0.77 1.43 3.64 -0.78 -0.55 116.57 123.35 1rfu h LYS 297 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1rfu h LYS 297 Cb 0.99 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.77 1rfu h LYS 297 CO 0.02 -0.04 0.46 0.87 -2.27 0.00 0.00 179.45 178.49 1rfu h LYS 298 N -0.07 0.82 -0.18 1.90 1.79 -1.84 -1.52 116.57 117.48 1rfu h LYS 298 Ca 0.13 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1rfu h LYS 298 Cb 0.39 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1rfu h LYS 298 CO -0.77 0.54 -0.04 -0.44 -1.08 0.00 0.00 179.45 177.66 1rfu h ASP 299 N 0.85 0.24 -0.32 0.86 3.45 -1.57 -1.82 116.42 118.11 1rfu h ASP 299 Ca 0.34 -0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.64 1rfu h ASP 299 Cb 0.17 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 1rfu h ASP 299 CO -0.17 0.33 -0.29 0.40 -1.57 0.00 0.00 179.24 177.94 1rfu h ILE 300 N 0.25 1.29 -0.82 0.35 2.04 -0.15 -0.18 117.51 120.29 1rfu h ILE 300 Ca 0.06 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.43 1rfu h ILE 300 Cb 0.25 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1rfu h ILE 300 CO 0.01 0.47 0.36 -0.33 0.00 0.00 0.00 178.15 178.66 1rfu h GLU 301 N 0.53 1.21 -1.71 2.37 5.08 -0.90 -3.38 114.58 117.78 1rfu h GLU 301 Ca 0.06 -0.20 -0.36 0.00 -1.00 0.00 0.00 59.36 57.85 1rfu h GLU 301 Cb 0.86 -0.20 -0.27 0.00 0.50 0.00 0.00 28.75 29.63 1rfu h GLU 301 CO 0.07 0.96 -0.72 -1.12 -1.00 0.00 0.00 179.01 177.20 1rfu s SER 302 N -6.34 0.14 -0.04 1.42 0.01 -0.73 -5.05 113.70 103.11 1rfu s SER 302 Ca -0.12 -2.21 -0.30 0.00 1.31 0.00 0.00 55.95 54.63 1rfu s SER 302 Cb 0.16 0.74 -0.03 0.00 0.21 0.00 0.00 66.02 67.10 1rfu s SER 302 CO 0.84 -0.14 1.15 -2.16 0.41 0.00 0.00 173.24 173.34 1rfu s PRO 303 N 0.68 4.39 0.47 12.44 0.04 -0.08 -4.68 135.00 148.26 1rfu s PRO 303 Ca 0.28 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.71 1rfu s PRO 303 Cb -0.01 -3.52 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 1rfu s PRO 303 CO -0.10 -0.37 1.29 -2.00 0.04 0.00 0.00 177.00 175.86 1rfu s GLU 304 N 1.92 3.60 -0.44 4.56 2.56 -1.26 -4.82 118.70 124.81 1rfu s GLU 304 Ca 0.55 2.08 -0.29 0.00 0.00 0.00 0.00 54.97 57.31 1rfu s GLU 304 Cb -0.24 -2.47 0.03 0.00 2.00 0.00 0.00 34.13 33.45 1rfu s GLU 304 CO 0.23 -0.78 1.13 0.42 -0.56 0.00 0.00 175.26 175.70 1rfu s ILE 305 N -1.36 4.26 -0.81 -3.70 1.09 -1.26 -4.65 121.20 114.77 1rfu s ILE 305 Ca 0.64 1.32 0.07 0.00 -1.10 0.00 0.00 60.65 61.59 1rfu s ILE 305 Cb -0.36 -4.56 0.12 0.00 -1.06 0.00 0.00 42.46 36.59 1rfu s ILE 305 CO 0.45 -0.90 0.91 1.33 -0.10 0.00 0.00 174.94 176.62 1rfu n VAL 306 N 6.66 0.39 -4.07 2.92 0.24 -1.26 -4.94 118.33 118.26 1rfu n VAL 306 Ca 0.12 -0.69 -0.19 0.00 -2.04 0.00 0.00 64.34 61.54 1rfu n VAL 306 Cb 0.49 0.90 -0.16 0.00 -1.47 0.00 0.00 33.84 33.59 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 -0.77 0.39 -0.28 3.34 -7.23 -1.26 -5.06 120.40 109.53 1rfu s VAL 307 Ca 0.11 -0.04 -0.08 0.00 -1.81 0.00 0.00 61.98 60.17 1rfu s VAL 307 Cb 0.07 -0.44 -0.01 0.00 0.56 0.00 0.00 36.38 36.56 1rfu s VAL 307 CO 0.10 0.19 0.09 -1.10 -0.31 0.00 0.00 175.10 174.07 1rfu s GLN 308 N 0.94 3.43 0.27 4.82 -1.52 -1.26 -4.85 119.66 121.48 1rfu s GLN 308 Ca -0.11 -0.64 -0.29 0.00 -1.95 0.00 0.00 55.36 52.37 1rfu s GLN 308 Cb -0.14 -3.40 -0.09 0.00 -0.22 0.00 0.00 33.01 29.16 1rfu s GLN 308 CO -0.01 -0.31 1.13 0.00 -0.25 0.00 0.00 175.29 175.85 1rfu s ALA 309 N 1.59 3.42 -0.15 6.09 0.00 -1.26 -4.76 121.76 126.68 1rfu s ALA 309 Ca 0.05 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 1rfu s ALA 309 Cb -0.16 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1rfu s ALA 309 CO 0.04 -0.23 0.25 0.95 0.00 0.00 0.00 175.76 176.78 1rfu s THR 310 N -0.97 5.32 -1.09 0.00 -4.23 0.10 -4.94 115.64 109.83 1rfu s THR 310 Ca 0.46 0.47 -0.15 0.00 -1.18 0.00 0.00 61.69 61.29 1rfu s THR 310 Cb -0.33 -3.58 0.17 0.00 1.34 0.00 0.00 72.50 70.10 1rfu s THR 310 CO 0.41 0.45 1.27 -0.69 -0.54 0.00 0.00 174.62 175.52 1rfu s VAL 311 N 0.09 5.04 -0.52 2.29 1.01 -1.26 -0.74 120.40 126.30 1rfu s VAL 311 Ca 0.15 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 59.79 1rfu s VAL 311 Cb -0.13 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.43 1rfu s VAL 311 CO 0.04 -1.52 0.13 0.18 0.00 0.00 0.00 175.10 173.93