#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1age n SER 2 N 0.00 0.59 -4.10 1.61 3.41 -0.92 -4.79 113.62 109.41 1age n SER 2 Ca 0.00 -0.12 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 1age n SER 2 Cb 0.00 0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 1age n SER 2 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1age s HIS 3 N -0.48 0.60 -0.01 7.33 4.02 -0.88 -5.03 115.29 120.83 1age s HIS 3 Ca 0.00 -0.93 -0.12 0.00 1.02 0.00 0.00 55.06 55.04 1age s HIS 3 Cb 0.00 -0.40 0.01 0.00 -1.02 0.00 0.00 32.58 31.18 1age s HIS 3 CO 0.00 -0.28 0.24 -1.54 1.02 0.00 0.00 174.74 174.18 1age s SER 4 N -2.69 -0.11 -0.04 1.40 1.04 -1.26 -0.59 113.70 111.46 1age s SER 4 Ca 0.04 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.53 1age s SER 4 Cb 0.04 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1age s SER 4 CO -0.07 -0.40 -0.24 -0.32 0.98 0.00 0.00 173.24 173.19 1age s MET 5 N -1.28 2.30 -0.18 4.02 1.75 -0.63 -0.69 119.30 124.58 1age s MET 5 Ca -0.13 -0.89 -0.16 0.00 -1.25 0.00 0.00 55.69 53.25 1age s MET 5 Cb -0.06 -2.12 0.05 0.00 2.84 0.00 0.00 34.83 35.54 1age s MET 5 CO 0.03 0.51 0.48 0.50 -0.65 0.00 0.00 175.02 175.89 1age s ARG 6 N -0.48 0.56 -0.16 4.11 6.06 -0.48 -1.98 118.95 126.58 1age s ARG 6 Ca 0.06 0.69 -0.02 0.00 -2.50 0.00 0.00 55.73 53.95 1age s ARG 6 Cb -0.11 0.26 -0.02 0.00 0.06 0.00 0.00 34.95 35.13 1age s ARG 6 CO 0.01 -0.07 -0.08 0.71 -2.50 0.00 0.00 175.30 173.36 1age s TYR 7 N 0.34 2.92 -0.32 5.12 1.51 -0.20 -0.50 117.35 126.21 1age s TYR 7 Ca -0.01 -0.55 -0.06 0.00 -1.01 0.00 0.00 57.07 55.44 1age s TYR 7 Cb -0.04 -1.93 0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1age s TYR 7 CO -0.00 -0.20 0.09 -0.06 -1.11 0.00 0.00 175.55 174.27 1age s PHE 8 N 0.54 3.22 -0.14 2.71 0.40 0.18 -2.74 117.98 122.16 1age s PHE 8 Ca -0.05 -1.35 -0.03 0.00 -0.60 0.00 0.00 56.93 54.89 1age s PHE 8 Cb -0.15 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 41.10 1age s PHE 8 CO 0.03 -0.70 -0.03 -0.51 0.70 0.00 0.00 175.22 174.71 1age s ASP 9 N 1.41 4.85 -0.10 1.36 1.01 0.40 -1.71 116.67 123.90 1age s ASP 9 Ca -0.01 -0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.18 1age s ASP 9 Cb -0.19 -1.68 0.02 0.00 1.01 0.00 0.00 42.92 42.08 1age s ASP 9 CO 0.02 0.22 -0.13 -0.89 0.21 0.00 0.00 175.17 174.59 1age s THR 10 N 0.09 1.35 -0.11 -1.27 2.01 -0.19 -1.24 115.64 116.29 1age s THR 10 Ca -0.00 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1age s THR 10 Cb -0.13 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.13 1age s THR 10 CO 0.03 0.41 -0.19 0.00 -0.69 0.00 0.00 174.62 174.17 1age s ALA 11 N 1.05 1.95 -0.05 7.40 0.00 0.24 -1.24 121.76 131.11 1age s ALA 11 Ca -0.06 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 1age s ALA 11 Cb -0.15 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1age s ALA 11 CO -0.02 0.07 0.00 0.00 0.00 0.00 0.00 175.76 175.81 1age s MET 12 N 0.71 0.46 0.63 0.00 0.23 0.31 -0.43 119.30 121.21 1age s MET 12 Ca -0.11 0.09 -0.13 0.00 -1.03 0.00 0.00 55.69 54.51 1age s MET 12 Cb -0.16 -0.73 -0.02 0.00 -1.53 0.00 0.00 34.83 32.39 1age s MET 12 CO 0.02 -0.21 1.04 -1.54 -2.03 0.00 0.00 175.02 172.30 1age s SER 13 N 1.50 5.79 -0.48 -1.18 1.04 -0.08 -1.27 113.70 119.01 1age s SER 13 Ca -0.03 1.63 0.06 0.00 0.48 0.00 0.00 55.95 58.10 1age s SER 13 Cb -0.13 -2.50 0.20 0.00 0.10 0.00 0.00 66.02 63.69 1age s SER 13 CO -0.03 -1.17 0.67 -2.11 0.98 0.00 0.00 173.24 171.58 1age n ARG 14 N -2.58 0.53 -1.67 4.02 1.85 -1.26 -3.92 116.66 113.63 1age n ARG 14 Ca 0.07 -2.29 -0.55 0.00 -1.00 0.00 0.00 57.85 54.09 1age n ARG 14 Cb 0.53 -1.49 -0.07 0.00 -1.05 0.00 0.00 32.46 30.39 1age n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1age n PRO 15 N 2.55 1.21 -0.33 2.89 -0.02 -1.26 -1.04 135.00 139.00 1age n PRO 15 Ca 0.19 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1age n PRO 15 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1age n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1age n GLY 16 N 3.63 1.13 2.11 -1.23 0.00 -1.26 -4.88 105.19 104.69 1age n GLY 16 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 1age n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1age n ARG 17 N -2.00 2.56 0.00 1.61 1.74 -0.21 -5.10 116.66 115.26 1age n ARG 17 Ca 0.00 -3.72 0.00 0.00 -0.77 0.00 0.00 57.85 53.36 1age n ARG 17 Cb 0.00 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 1age n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1age n GLY 18 N -0.64 -2.41 3.80 -0.13 0.00 -1.25 -4.91 105.19 99.65 1age n GLY 18 Ca 0.27 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1age n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1age s GLU 19 N -0.35 2.90 0.25 1.61 0.41 -1.26 -4.50 118.70 117.75 1age s GLU 19 Ca 0.00 1.15 -0.31 0.00 -0.41 0.00 0.00 54.97 55.40 1age s GLU 19 Cb 0.00 -1.98 -0.13 0.00 -1.78 0.00 0.00 34.13 30.24 1age s GLU 19 CO 0.00 -1.14 1.51 -2.30 -0.49 0.00 0.00 175.26 172.84 1age n PRO 20 N -2.74 2.31 -2.62 0.39 -0.02 -1.26 -4.76 135.00 126.30 1age n PRO 20 Ca 0.09 0.82 -0.40 0.00 -2.02 0.00 0.00 63.50 61.99 1age n PRO 20 Cb 0.53 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 1age n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1age s ARG 21 N -0.18 4.73 -0.09 -0.52 3.52 -0.40 -4.78 118.95 121.23 1age s ARG 21 Ca 0.68 1.63 0.01 0.00 -0.13 0.00 0.00 55.73 57.92 1age s ARG 21 Cb -0.59 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 29.62 1age s ARG 21 CO 0.47 0.35 -0.10 0.12 -0.81 0.00 0.00 175.30 175.33 1age s PHE 22 N -1.20 1.45 -0.03 5.12 5.36 -1.26 -0.53 117.98 126.89 1age s PHE 22 Ca 0.43 -0.64 0.03 0.00 -0.96 0.00 0.00 56.93 55.79 1age s PHE 22 Cb -0.28 -1.15 0.00 0.00 -0.34 0.00 0.00 43.02 41.25 1age s PHE 22 CO 0.36 -0.40 -0.09 -1.50 -1.46 0.00 0.00 175.22 172.12 1age s ILE 23 N 1.23 0.81 -0.12 3.12 2.07 -0.37 -0.41 121.20 127.54 1age s ILE 23 Ca -0.04 -0.38 -0.00 0.00 -1.41 0.00 0.00 60.65 58.82 1age s ILE 23 Cb -0.14 -0.72 0.02 0.00 0.13 0.00 0.00 42.46 41.75 1age s ILE 23 CO -0.03 0.25 -0.08 -0.55 -1.91 0.00 0.00 174.94 172.62 1age s SER 24 N 0.18 2.27 -0.11 4.50 0.15 0.38 -1.02 113.70 120.05 1age s SER 24 Ca -0.03 -0.34 -0.01 0.00 0.70 0.00 0.00 55.95 56.27 1age s SER 24 Cb -0.09 -0.89 -0.02 0.00 -1.71 0.00 0.00 66.02 63.31 1age s SER 24 CO 0.01 -0.11 -0.09 0.68 1.20 0.00 0.00 173.24 174.93 1age s VAL 25 N 1.68 3.48 -0.05 4.45 -7.23 -0.69 -0.79 120.40 121.25 1age s VAL 25 Ca 0.05 -0.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 1age s VAL 25 Cb -0.13 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1age s VAL 25 CO -0.09 0.54 0.01 -0.83 -0.31 0.00 0.00 175.10 174.43 1age s GLY 26 N -0.05 1.88 0.06 2.32 0.00 -0.28 -0.64 107.32 110.60 1age s GLY 26 Ca -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.88 1age s GLY 26 CO 0.03 -0.66 -0.08 -0.19 0.00 0.00 0.00 173.10 172.21 1age s TYR 27 N -0.98 0.74 -0.23 1.90 1.51 0.34 -0.62 117.35 120.01 1age s TYR 27 Ca 0.16 -0.60 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1age s TYR 27 Cb -0.11 -0.44 0.06 0.00 -0.11 0.00 0.00 41.96 41.35 1age s TYR 27 CO 0.06 -0.10 -0.08 0.08 -1.11 0.00 0.00 175.55 174.40 1age s VAL 28 N -1.93 1.70 0.00 0.71 1.01 -0.33 -1.38 120.40 120.18 1age s VAL 28 Ca -0.04 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1age s VAL 28 Cb -0.06 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1age s VAL 28 CO -0.01 -0.01 0.00 0.47 0.00 0.00 0.00 175.10 175.55 1age n ASP 29 N 4.62 0.00 -1.90 3.32 8.00 0.14 -0.77 116.55 129.96 1age n ASP 29 Ca -0.13 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.29 1age n ASP 29 Cb 0.44 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.82 1age n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1age n ASP 30 N 6.32 4.45 -4.15 -2.24 8.00 -1.26 -4.86 116.55 122.82 1age n ASP 30 Ca 0.00 -3.31 -0.34 0.00 0.71 0.00 0.00 54.79 51.85 1age n ASP 30 Cb 0.00 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.22 1age n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1age s THR 31 N -3.05 2.70 0.33 -3.53 2.01 0.05 -5.02 115.64 109.13 1age s THR 31 Ca 0.54 -1.31 -0.27 0.00 0.31 0.00 0.00 61.69 60.95 1age s THR 31 Cb 0.44 -2.48 -0.09 0.00 0.01 0.00 0.00 72.50 70.37 1age s THR 31 CO 0.12 0.04 1.09 -1.58 -0.69 0.00 0.00 174.62 173.61 1age s GLN 32 N 1.24 4.44 0.00 4.92 0.74 -1.26 -1.18 119.66 128.55 1age s GLN 32 Ca -0.04 1.73 0.00 0.00 0.05 0.00 0.00 55.36 57.10 1age s GLN 32 Cb -0.18 -2.95 0.00 0.00 1.10 0.00 0.00 33.01 30.97 1age s GLN 32 CO -0.04 0.05 0.00 1.97 -0.55 0.00 0.00 175.29 176.72 1age n PHE 33 N 0.71 0.00 -3.86 1.67 -1.74 0.21 -4.22 117.46 110.23 1age n PHE 33 Ca 0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.81 1age n PHE 33 Cb 0.46 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.39 1age n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1age s VAL 34 N -1.16 0.14 -0.05 1.97 -7.23 -1.22 -0.69 120.40 112.16 1age s VAL 34 Ca 0.00 -1.18 -0.14 0.00 -1.81 0.00 0.00 61.98 58.85 1age s VAL 34 Cb 0.00 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.63 1age s VAL 34 CO 0.00 -0.65 0.32 0.00 -0.31 0.00 0.00 175.10 174.46 1age s ARG 35 N -3.86 0.58 -0.02 4.82 1.70 -1.01 -1.12 118.95 120.04 1age s ARG 35 Ca 0.05 0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.35 1age s ARG 35 Cb 0.05 0.26 0.03 0.00 -0.57 0.00 0.00 34.95 34.72 1age s ARG 35 CO -0.11 -0.14 0.03 0.12 -1.08 0.00 0.00 175.30 174.12 1age s PHE 36 N -0.82 0.05 -0.06 5.89 2.19 0.03 -1.52 117.98 123.75 1age s PHE 36 Ca -0.09 0.12 -0.01 0.00 0.33 0.00 0.00 56.93 57.28 1age s PHE 36 Cb -0.04 -0.25 0.03 0.00 -1.31 0.00 0.00 43.02 41.44 1age s PHE 36 CO 0.03 -0.09 0.01 0.34 1.83 0.00 0.00 175.22 177.33 1age s ASP 37 N 1.07 1.40 0.51 6.13 -1.08 -1.26 -0.47 116.67 122.97 1age s ASP 37 Ca -0.09 -0.06 0.34 0.00 -0.52 0.00 0.00 52.55 52.22 1age s ASP 37 Cb -0.13 -0.38 1.60 0.00 -1.46 0.00 0.00 42.92 42.55 1age s ASP 37 CO -0.03 -0.19 2.02 0.77 0.52 0.00 0.00 175.17 178.26 1age h SER 38 N 8.20 0.00 0.70 -0.34 4.64 -1.13 -2.12 113.55 123.50 1age h SER 38 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1age h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1age h SER 38 CO 0.27 0.00 -0.19 0.47 -0.87 0.00 0.00 176.83 176.51 1age n ASP 39 N -2.86 0.26 -4.76 4.97 9.92 -1.26 -4.81 116.55 118.02 1age n ASP 39 Ca -0.00 0.02 -0.38 0.00 -0.53 0.00 0.00 54.79 53.90 1age n ASP 39 Cb 0.20 -0.16 0.02 0.00 -0.64 0.00 0.00 41.12 40.53 1age n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1age s ALA 40 N -2.89 2.98 0.40 2.24 0.00 -0.80 -4.88 121.76 118.82 1age s ALA 40 Ca 0.16 1.22 0.18 0.00 0.00 0.00 0.00 51.96 53.52 1age s ALA 40 Cb 0.19 -3.50 1.10 0.00 0.00 0.00 0.00 23.12 20.90 1age s ALA 40 CO 0.58 -1.07 1.79 0.00 0.00 0.00 0.00 175.76 177.06 1age h ALA 41 N 1.91 2.23 -2.44 0.00 0.00 -1.90 -3.14 119.26 115.92 1age h ALA 41 Ca -0.50 0.05 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 1age h ALA 41 Cb 1.27 0.01 -0.38 0.00 0.00 0.00 0.00 17.79 18.69 1age h ALA 41 CO 0.59 -0.60 -0.92 0.45 0.00 0.00 0.00 179.25 178.78 1age s SER 42 N -5.36 2.05 -0.03 0.00 0.15 -1.26 -5.11 113.70 104.14 1age s SER 42 Ca -0.09 -2.65 -0.32 0.00 0.70 0.00 0.00 55.95 53.60 1age s SER 42 Cb 0.24 -0.38 -0.10 0.00 -1.71 0.00 0.00 66.02 64.07 1age s SER 42 CO 0.79 -0.23 1.94 -0.81 1.20 0.00 0.00 173.24 176.14 1age n PRO 43 N 3.39 2.53 -3.70 5.44 -0.04 -1.19 -4.97 135.00 136.46 1age n PRO 43 Ca 0.22 0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 64.50 1age n PRO 43 Cb 0.43 -2.85 -0.05 0.00 -0.04 0.00 0.00 33.50 30.99 1age n PRO 43 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1age s ARG 44 N 4.36 1.03 -0.24 0.54 1.70 -1.26 -5.04 118.95 120.05 1age s ARG 44 Ca 0.91 -0.79 -0.29 0.00 -0.47 0.00 0.00 55.73 55.09 1age s ARG 44 Cb -0.55 0.44 0.01 0.00 -0.57 0.00 0.00 34.95 34.27 1age s ARG 44 CO 0.46 -0.39 1.06 -2.00 -1.08 0.00 0.00 175.30 173.36 1age s GLU 45 N -3.83 4.24 0.04 3.89 2.56 -1.26 -4.55 118.70 119.79 1age s GLU 45 Ca 0.04 1.35 0.08 0.00 0.00 0.00 0.00 54.97 56.44 1age s GLU 45 Cb 0.02 -3.66 -0.03 0.00 2.00 0.00 0.00 34.13 32.47 1age s GLU 45 CO -0.11 -0.67 -0.23 -1.83 -0.56 0.00 0.00 175.26 171.87 1age s GLU 46 N 3.27 1.55 0.49 4.30 -1.05 -0.58 -4.91 118.70 121.77 1age s GLU 46 Ca 0.45 -0.98 -0.23 0.00 -0.15 0.00 0.00 54.97 54.06 1age s GLU 46 Cb -0.15 -1.67 -0.06 0.00 -0.44 0.00 0.00 34.13 31.81 1age s GLU 46 CO 0.08 0.43 1.30 -1.25 0.95 0.00 0.00 175.26 176.76 1age s PRO 47 N -1.14 3.48 -0.00 -4.83 0.04 -1.26 -2.41 135.00 128.88 1age s PRO 47 Ca 0.09 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1age s PRO 47 Cb -0.09 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1age s PRO 47 CO 0.02 -0.88 0.59 0.54 0.04 0.00 0.00 177.00 177.31 1age n ARG 48 N -0.65 0.29 -3.75 4.56 5.12 0.13 -4.88 116.66 117.49 1age n ARG 48 Ca 0.08 -0.65 -0.13 0.00 -1.93 0.00 0.00 57.85 55.23 1age n ARG 48 Cb 0.45 -0.55 -0.13 0.00 -1.16 0.00 0.00 32.46 31.07 1age n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1age s ALA 49 N -0.12 -0.52 0.28 7.54 0.00 -1.20 -4.60 121.76 123.14 1age s ALA 49 Ca 0.00 0.87 0.02 0.00 0.00 0.00 0.00 51.96 52.85 1age s ALA 49 Cb 0.00 -0.55 0.60 0.00 0.00 0.00 0.00 23.12 23.17 1age s ALA 49 CO 0.00 -0.17 1.78 -1.35 0.00 0.00 0.00 175.76 176.02 1age h PRO 50 N 6.89 0.73 0.00 0.00 0.11 -1.94 -2.56 132.00 135.23 1age h PRO 50 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1age h PRO 50 Cb 1.16 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1age h PRO 50 CO 0.38 0.48 0.00 -2.67 -0.21 0.00 0.00 178.00 175.98 1age n TRP 51 N -4.78 0.11 0.27 0.65 4.27 -1.26 -2.54 117.44 114.16 1age n TRP 51 Ca 0.19 0.04 0.11 0.00 -3.89 0.00 0.00 57.50 53.96 1age n TRP 51 Cb 0.46 -0.57 0.01 0.00 -1.36 0.00 0.00 31.31 29.85 1age n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1age n ILE 52 N -1.60 0.40 0.22 -1.67 0.13 -0.96 -4.33 119.36 111.55 1age n ILE 52 Ca 0.04 -0.43 0.08 0.00 -1.10 0.00 0.00 62.75 61.33 1age n ILE 52 Cb 0.21 -0.14 0.61 0.00 -0.84 0.00 0.00 39.64 39.48 1age n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1age h GLU 53 N 0.00 0.07 0.00 9.51 5.08 -1.56 -2.32 114.58 125.36 1age h GLU 53 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1age h GLU 53 Cb 0.90 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1age h GLU 53 CO 0.00 0.05 0.00 -0.56 -1.00 0.00 0.00 179.01 177.50 1age h GLN 54 N 0.07 0.00 -6.71 2.33 3.07 -1.76 -3.45 115.11 108.66 1age h GLN 54 Ca 0.02 0.00 -0.57 0.00 0.09 0.00 0.00 58.65 58.19 1age h GLN 54 Cb -0.00 0.00 0.11 0.00 0.08 0.00 0.00 27.48 27.66 1age h GLN 54 CO -0.00 0.00 0.51 0.39 0.09 0.00 0.00 178.83 179.81 1age n GLU 55 N -3.02 2.09 -0.84 0.06 -0.58 -0.87 -4.96 120.64 112.50 1age n GLU 55 Ca 0.00 0.73 -0.30 0.00 -0.42 0.00 0.00 57.16 57.18 1age n GLU 55 Cb 0.27 -2.32 0.25 0.00 -0.57 0.00 0.00 31.44 29.07 1age n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1age s GLY 56 N -0.24 1.53 0.21 0.62 0.00 -1.26 -4.87 107.32 103.31 1age s GLY 56 Ca 0.57 -0.77 -0.09 0.00 0.00 0.00 0.00 44.72 44.43 1age s GLY 56 CO 0.60 0.11 1.85 -2.55 0.00 0.00 0.00 173.10 173.12 1age h PRO 57 N -2.75 0.88 -0.97 2.90 0.11 -1.98 -2.23 132.00 127.96 1age h PRO 57 Ca -0.48 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.66 1age h PRO 57 Cb 1.32 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 1age h PRO 57 CO 0.37 0.58 0.63 1.49 -0.21 0.00 0.00 178.00 180.86 1age h GLU 58 N 0.91 1.06 -0.68 1.05 4.57 -1.99 -1.83 114.58 117.67 1age h GLU 58 Ca 0.30 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.36 1age h GLU 58 Cb 0.02 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 1age h GLU 58 CO -0.11 0.70 0.21 -0.92 -1.18 0.00 0.00 179.01 177.72 1age h TYR 59 N 1.09 1.10 -0.35 0.92 5.03 -1.75 -1.12 116.97 121.90 1age h TYR 59 Ca 0.43 -0.11 -0.15 0.00 2.58 0.00 0.00 58.73 61.47 1age h TYR 59 Cb 0.23 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 1age h TYR 59 CO -0.00 0.88 -0.39 -1.49 -1.32 0.00 0.00 178.16 175.85 1age h TRP 60 N 1.00 1.01 -0.17 -3.82 4.06 -1.31 -2.67 115.95 114.05 1age h TRP 60 Ca 0.22 -0.30 -0.06 0.00 2.06 0.00 0.00 58.89 60.82 1age h TRP 60 Cb 0.30 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1age h TRP 60 CO 0.02 1.09 -0.12 -0.44 -3.56 0.00 0.00 178.44 175.44 1age h ASP 61 N 0.69 0.39 -0.48 -3.49 3.32 -1.23 0.15 116.42 115.77 1age h ASP 61 Ca 0.06 -0.44 0.03 0.00 0.02 0.00 0.00 57.03 56.69 1age h ASP 61 Cb 0.96 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 1age h ASP 61 CO 0.09 0.75 0.27 -0.09 -1.72 0.00 0.00 179.24 178.54 1age h ARG 62 N 0.03 0.51 0.00 3.56 2.43 -1.23 -1.32 114.38 118.36 1age h ARG 62 Ca 0.03 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1age h ARG 62 Cb 0.62 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1age h ARG 62 CO 0.03 0.34 -0.51 -0.91 -1.51 0.00 0.00 179.97 177.41 1age h ASN 63 N 0.53 0.00 -0.50 -3.80 2.35 -1.43 -1.88 115.58 110.84 1age h ASN 63 Ca 0.20 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 1age h ASN 63 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1age h ASN 63 CO -0.11 0.51 -0.15 0.74 -1.65 0.00 0.00 177.43 176.77 1age h THR 64 N 0.00 1.27 -0.29 2.81 2.02 -0.17 -2.32 112.91 116.22 1age h THR 64 Ca -0.01 -1.31 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 1age h THR 64 Cb 0.99 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1age h THR 64 CO 0.07 0.46 0.03 1.56 0.37 0.00 0.00 175.52 178.00 1age h GLN 65 N 0.88 0.50 -0.54 6.66 1.08 -0.98 -0.35 115.11 122.36 1age h GLN 65 Ca 0.13 -0.15 0.08 0.00 -1.45 0.00 0.00 58.65 57.27 1age h GLN 65 Cb 0.72 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 28.03 1age h GLN 65 CO 0.06 0.62 0.17 0.82 -0.95 0.00 0.00 178.83 179.55 1age h ILE 66 N 0.31 0.77 0.00 2.54 2.04 -1.26 0.92 117.51 122.82 1age h ILE 66 Ca 0.09 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 1age h ILE 66 Cb 0.38 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1age h ILE 66 CO 0.01 0.06 -0.34 -0.26 0.00 0.00 0.00 178.15 177.62 1age h PHE 67 N 0.34 0.00 -0.14 1.37 0.04 -1.24 0.17 116.94 117.48 1age h PHE 67 Ca 0.27 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.85 1age h PHE 67 Cb 0.33 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.49 1age h PHE 67 CO -0.19 0.34 -0.64 0.87 -0.60 0.00 0.00 178.31 178.10 1age h LYS 68 N 0.00 0.68 -0.20 1.51 1.57 -0.20 -2.23 116.57 117.71 1age h LYS 68 Ca -0.00 -0.54 -0.14 0.00 -1.87 0.00 0.00 60.65 58.09 1age h LYS 68 Cb 1.01 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1age h LYS 68 CO 0.04 1.16 -0.47 1.15 -0.57 0.00 0.00 179.45 180.77 1age h THR 69 N 0.37 1.31 0.00 -0.16 2.02 -0.61 -2.64 112.91 113.19 1age h THR 69 Ca -0.04 -1.67 -0.06 0.00 0.77 0.00 0.00 66.41 65.41 1age h THR 69 Cb 1.27 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 1age h THR 69 CO 0.13 0.52 -0.27 0.78 0.37 0.00 0.00 175.52 177.06 1age h ASN 70 N 0.41 0.00 -0.16 4.18 2.35 -0.62 -1.24 115.58 120.49 1age h ASN 70 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1age h ASN 70 Cb 0.97 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 1age h ASN 70 CO 0.09 0.27 0.04 0.74 -1.65 0.00 0.00 177.43 176.91 1age h THR 71 N 0.00 1.21 -0.54 2.81 2.02 -1.03 -0.34 112.91 117.04 1age h THR 71 Ca -0.00 -0.66 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 1age h THR 71 Cb 0.52 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1age h THR 71 CO 0.03 0.20 0.05 1.56 0.37 0.00 0.00 175.52 177.73 1age h GLN 72 N 0.07 0.93 -0.60 6.66 1.08 -1.37 -1.33 115.11 120.55 1age h GLN 72 Ca 0.05 -0.27 0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1age h GLN 72 Cb 0.27 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 1age h GLN 72 CO 0.00 0.92 0.38 1.15 -0.95 0.00 0.00 178.83 180.33 1age h THR 73 N 0.81 1.12 -0.22 -0.54 2.02 -1.13 -0.58 112.91 114.40 1age h THR 73 Ca 0.16 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 1age h THR 73 Cb 0.47 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1age h THR 73 CO 0.02 0.14 -0.36 0.44 0.37 0.00 0.00 175.52 176.13 1age h ASP 74 N 0.77 0.49 -0.56 4.18 5.19 -0.88 -1.03 116.42 124.58 1age h ASP 74 Ca 0.23 -0.20 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 1age h ASP 74 Cb -0.04 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 1age h ASP 74 CO -0.07 0.81 0.03 0.03 -3.12 0.00 0.00 179.24 176.93 1age h ARG 75 N 0.40 1.00 -0.20 3.56 3.08 -0.68 -1.12 114.38 120.41 1age h ARG 75 Ca 0.04 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.67 1age h ARG 75 Cb 0.82 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1age h ARG 75 CO 0.07 0.96 -0.47 0.93 -1.07 0.00 0.00 179.97 180.39 1age h GLU 76 N 0.92 0.52 -0.32 0.04 5.08 -0.86 -2.66 114.58 117.30 1age h GLU 76 Ca 0.17 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1age h GLU 76 Cb 0.49 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1age h GLU 76 CO 0.02 0.88 0.08 0.77 -1.00 0.00 0.00 179.01 179.75 1age h SER 77 N 0.41 0.48 -1.01 1.42 0.02 -0.93 -1.60 113.55 112.35 1age h SER 77 Ca 0.02 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1age h SER 77 Cb 0.98 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.34 1age h SER 77 CO 0.09 0.59 0.67 -0.07 -1.14 0.00 0.00 176.83 176.97 1age h LEU 78 N 0.36 1.16 0.14 5.07 3.38 -1.15 0.25 115.31 124.52 1age h LEU 78 Ca 0.10 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1age h LEU 78 Cb 0.30 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1age h LEU 78 CO 0.00 0.84 -0.09 0.03 0.09 0.00 0.00 178.44 179.31 1age h ARG 79 N 1.37 -0.22 -0.72 1.13 3.08 -1.18 -2.14 114.38 115.69 1age h ARG 79 Ca 0.37 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.46 1age h ARG 79 Cb -0.16 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1age h ARG 79 CO -0.08 -0.14 0.46 -0.91 -1.07 0.00 0.00 179.97 178.23 1age h ASN 80 N -0.23 0.77 -0.66 7.04 -0.26 -0.76 -2.79 115.58 118.69 1age h ASN 80 Ca -0.01 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1age h ASN 80 Cb 0.19 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.24 1age h ASN 80 CO 0.01 0.54 0.42 -0.07 -1.06 0.00 0.00 177.43 177.27 1age h LEU 81 N 0.91 0.77 -0.13 1.61 4.07 -0.30 -0.90 115.31 121.34 1age h LEU 81 Ca 0.28 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 1age h LEU 81 Cb -0.01 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 1age h LEU 81 CO -0.10 0.57 0.07 -0.09 -1.08 0.00 0.00 178.44 177.81 1age h ARG 82 N 0.90 0.18 -0.57 1.13 2.43 -1.13 -2.57 114.38 114.75 1age h ARG 82 Ca 0.24 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1age h ARG 82 Cb -0.08 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1age h ARG 82 CO -0.05 0.20 0.36 0.78 -1.51 0.00 0.00 179.97 179.75 1age h GLY 83 N 0.11 0.82 2.00 2.80 0.00 -1.23 0.47 103.07 108.04 1age h GLY 83 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1age h GLY 83 CO -0.01 0.32 -0.01 -0.97 0.00 0.00 0.00 176.54 175.87 1age h TYR 84 N 0.77 0.00 -0.21 5.60 0.05 -1.01 -2.05 116.97 120.12 1age h TYR 84 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1age h TYR 84 Cb -0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1age h TYR 84 CO -0.03 0.01 0.00 0.66 -1.05 0.00 0.00 178.16 177.75 1age n TYR 85 N -3.70 0.26 -3.79 4.88 4.01 -0.94 -4.74 117.16 113.15 1age n TYR 85 Ca -0.03 -0.26 -0.28 0.00 -0.16 0.00 0.00 57.90 57.17 1age n TYR 85 Cb 0.09 -0.01 0.05 0.00 -0.31 0.00 0.00 39.34 39.16 1age n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1age n ASN 86 N 0.64 -5.45 -4.86 7.72 3.02 -0.38 -4.94 115.26 111.01 1age n ASN 86 Ca 0.10 -0.68 -0.32 0.00 -0.03 0.00 0.00 54.58 53.64 1age n ASN 86 Cb 0.38 -4.35 -0.06 0.00 -0.61 0.00 0.00 39.78 35.14 1age n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1age s GLN 87 N -6.50 3.94 0.67 3.52 -0.21 0.02 -5.03 119.66 116.08 1age s GLN 87 Ca 0.63 0.55 -0.15 0.00 0.02 0.00 0.00 55.36 56.41 1age s GLN 87 Cb -0.30 -2.50 0.01 0.00 1.00 0.00 0.00 33.01 31.21 1age s GLN 87 CO 0.79 0.21 1.14 0.45 -2.12 0.00 0.00 175.29 175.76 1age s SER 88 N -2.29 4.87 0.00 5.90 0.15 -1.26 -4.76 113.70 116.31 1age s SER 88 Ca 0.52 2.13 0.17 0.00 0.70 0.00 0.00 55.95 59.47 1age s SER 88 Cb -0.11 -2.57 0.73 0.00 -1.71 0.00 0.00 66.02 62.37 1age s SER 88 CO 0.19 -1.79 1.51 -1.84 1.20 0.00 0.00 173.24 172.50 1age n GLU 89 N -2.40 1.48 0.00 5.44 0.28 -1.26 -3.70 120.64 120.48 1age n GLU 89 Ca 0.11 -0.73 -0.07 0.00 -0.16 0.00 0.00 57.16 56.32 1age n GLU 89 Cb 0.51 -1.32 -0.12 0.00 1.43 0.00 0.00 31.44 31.94 1age n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1age h ALA 90 N 3.78 0.70 -2.32 -1.84 0.00 -1.99 -3.45 119.26 114.15 1age h ALA 90 Ca 0.00 -1.26 -0.50 0.00 0.00 0.00 0.00 54.91 53.15 1age h ALA 90 Cb 0.31 0.36 0.06 0.00 0.00 0.00 0.00 17.79 18.52 1age h ALA 90 CO 0.00 1.40 0.39 0.20 0.00 0.00 0.00 179.25 181.24 1age s GLY 91 N -4.98 1.80 -0.11 0.00 0.00 -1.24 -4.73 107.32 98.05 1age s GLY 91 Ca -0.03 0.07 -0.07 0.00 0.00 0.00 0.00 44.72 44.69 1age s GLY 91 CO 0.82 0.36 0.14 -0.45 0.00 0.00 0.00 173.10 173.97 1age s SER 92 N -3.67 6.35 0.14 1.64 0.15 -1.26 -4.60 113.70 112.44 1age s SER 92 Ca 0.58 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1age s SER 92 Cb -0.12 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 1age s SER 92 CO 0.48 0.40 0.02 -1.00 1.20 0.00 0.00 173.24 174.34 1age s HIS 93 N -1.04 0.97 -0.09 3.44 3.76 -1.25 -4.96 115.29 116.12 1age s HIS 93 Ca 0.15 -1.13 0.02 0.00 -0.15 0.00 0.00 55.06 53.95 1age s HIS 93 Cb -0.12 -0.56 0.02 0.00 1.11 0.00 0.00 32.58 33.03 1age s HIS 93 CO 0.04 -0.37 -0.13 0.99 -0.85 0.00 0.00 174.74 174.42 1age s THR 94 N -3.87 1.31 -0.21 1.30 2.01 -1.26 -0.90 115.64 114.02 1age s THR 94 Ca 0.22 -0.54 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 1age s THR 94 Cb 0.07 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 1age s THR 94 CO 0.01 0.40 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.06 1age s LEU 95 N 0.95 2.80 0.11 4.42 2.96 0.43 -0.70 118.68 129.65 1age s LEU 95 Ca -0.08 -0.42 0.10 0.00 -0.22 0.00 0.00 54.13 53.51 1age s LEU 95 Cb -0.15 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1age s LEU 95 CO -0.00 -0.01 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.69 1age s GLN 96 N 1.40 1.65 -0.01 1.98 -0.21 -0.64 -0.60 119.66 123.23 1age s GLN 96 Ca 0.05 -1.23 -0.10 0.00 0.02 0.00 0.00 55.36 54.10 1age s GLN 96 Cb -0.14 -2.01 0.01 0.00 1.00 0.00 0.00 33.01 31.87 1age s GLN 96 CO -0.04 0.48 0.20 -1.54 -2.12 0.00 0.00 175.29 172.27 1age s SER 97 N -1.93 -0.06 -0.05 5.90 1.04 -0.37 -1.11 113.70 117.11 1age s SER 97 Ca 0.15 -0.07 -0.00 0.00 0.48 0.00 0.00 55.95 56.50 1age s SER 97 Cb -0.10 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.30 1age s SER 97 CO 0.07 -0.39 0.00 -0.04 0.98 0.00 0.00 173.24 173.87 1age s MET 98 N -1.30 0.42 0.01 4.02 -1.94 -0.85 -0.45 119.30 119.20 1age s MET 98 Ca -0.14 0.10 -0.03 0.00 -1.71 0.00 0.00 55.69 53.91 1age s MET 98 Cb -0.06 -0.68 -0.01 0.00 2.01 0.00 0.00 34.83 36.09 1age s MET 98 CO 0.02 -0.20 0.05 1.52 -0.01 0.00 0.00 175.02 176.40 1age s TYR 99 N 1.43 0.12 -3.85 -0.03 -0.85 -1.11 -1.35 117.35 111.72 1age s TYR 99 Ca -0.04 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 1age s TYR 99 Cb -0.13 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.11 1age s TYR 99 CO -0.03 -0.20 0.00 0.41 -1.52 0.00 0.00 175.55 174.21 1age n GLY 100 N 1.80 -1.65 3.09 5.49 0.00 -0.72 -1.04 105.19 112.16 1age n GLY 100 Ca -0.21 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 1age n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1age s ASP 102 N -2.72 3.45 0.09 0.00 1.01 0.05 -1.61 116.67 116.93 1age s ASP 102 Ca 0.05 -0.42 0.09 0.00 0.71 0.00 0.00 52.55 52.98 1age s ASP 102 Cb 0.05 -1.05 -0.03 0.00 1.01 0.00 0.00 42.92 42.89 1age s ASP 102 CO -0.07 0.24 -0.24 0.68 0.21 0.00 0.00 175.17 175.99 1age s VAL 103 N -0.12 1.93 0.97 -1.27 -7.23 0.24 0.12 120.40 115.04 1age s VAL 103 Ca -0.04 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.45 1age s VAL 103 Cb -0.14 -1.71 0.23 0.00 0.56 0.00 0.00 36.38 35.32 1age s VAL 103 CO 0.04 0.10 1.15 0.61 -0.31 0.00 0.00 175.10 176.69 1age n GLY 104 N 1.29 -1.88 0.34 2.32 0.00 0.38 -2.06 105.19 105.57 1age n GLY 104 Ca -0.18 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.32 1age n GLY 104 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1age h PRO 105 N 0.00 0.28 -0.13 1.61 0.11 -1.90 0.24 132.00 132.21 1age h PRO 105 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1age h PRO 105 Cb 1.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1age h PRO 105 CO 0.27 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 177.84 1age n ASP 106 N -4.47 1.06 -0.29 -2.05 5.75 -1.26 -4.90 116.55 110.39 1age n ASP 106 Ca 0.07 -1.70 -0.04 0.00 -0.01 0.00 0.00 54.79 53.10 1age n ASP 106 Cb 0.32 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.31 1age n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1age n GLY 107 N 0.96 0.67 3.83 6.12 0.00 0.85 -5.02 105.19 112.60 1age n GLY 107 Ca 0.13 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 1age n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1age s ARG 108 N -1.90 4.03 -0.06 1.61 0.52 -1.26 -4.70 118.95 117.20 1age s ARG 108 Ca 0.00 0.55 -0.34 0.00 -0.52 0.00 0.00 55.73 55.42 1age s ARG 108 Cb 0.00 -3.04 -0.12 0.00 0.52 0.00 0.00 34.95 32.31 1age s ARG 108 CO 0.00 0.54 1.85 -0.11 0.02 0.00 0.00 175.30 177.60 1age n LEU 109 N 1.14 3.41 -0.07 2.53 7.94 -1.26 -0.47 117.00 130.22 1age n LEU 109 Ca -0.07 0.99 -0.20 0.00 -1.11 0.00 0.00 56.01 55.61 1age n LEU 109 Cb 0.52 -1.38 -0.13 0.00 0.53 0.00 0.00 43.42 42.96 1age n LEU 109 CO 0.42 -0.08 -1.07 0.18 -1.11 0.00 0.00 177.39 175.73 1age n LEU 110 N 6.26 2.72 -3.62 -1.96 4.77 0.12 -4.86 117.00 120.44 1age n LEU 110 Ca 0.22 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 56.22 1age n LEU 110 Cb 0.29 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 1age n LEU 110 CO 0.72 0.85 1.01 0.00 -1.33 0.00 0.00 177.39 178.65 1age s ARG 111 N -2.53 0.26 0.24 3.23 1.70 -1.15 -4.98 118.95 115.72 1age s ARG 111 Ca -0.29 0.05 0.07 0.00 -0.47 0.00 0.00 55.73 55.09 1age s ARG 111 Cb 0.08 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1age s ARG 111 CO 0.67 -0.08 0.19 0.20 -1.08 0.00 0.00 175.30 175.19 1age s GLY 112 N -1.11 1.45 -0.01 3.88 0.00 -1.26 -0.77 107.32 109.50 1age s GLY 112 Ca 0.05 -1.39 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 1age s GLY 112 CO -0.04 -1.43 0.04 0.30 0.00 0.00 0.00 173.10 171.96 1age s HIS 113 N -2.08 -0.02 -0.36 1.90 0.09 0.13 -4.82 115.29 110.12 1age s HIS 113 Ca 0.33 0.06 0.05 0.00 -0.00 0.00 0.00 55.06 55.49 1age s HIS 113 Cb -0.08 0.00 0.19 0.00 -0.00 0.00 0.00 32.58 32.69 1age s HIS 113 CO 0.25 -0.04 0.68 1.21 -0.00 0.00 0.00 174.74 176.84 1age s ASN 114 N -0.10 -1.39 0.14 1.40 2.47 -1.25 -1.76 114.94 114.46 1age s ASN 114 Ca -0.01 -0.38 0.03 0.00 0.42 0.00 0.00 52.86 52.91 1age s ASN 114 Cb -0.01 1.80 -0.04 0.00 -1.45 0.00 0.00 41.25 41.55 1age s ASN 114 CO 0.00 -0.19 -0.05 0.00 -3.72 0.00 0.00 177.10 173.14 1age s GLN 115 N 2.22 1.00 0.06 0.43 -2.07 -0.45 -0.55 119.66 120.29 1age s GLN 115 Ca 0.15 -1.44 0.02 0.00 -1.82 0.00 0.00 55.36 52.27 1age s GLN 115 Cb -0.05 -0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 31.48 1age s GLN 115 CO -0.14 -0.03 -0.07 0.71 -1.32 0.00 0.00 175.29 174.43 1age s TYR 116 N -3.54 0.75 -0.02 9.60 1.51 0.14 -2.01 117.35 123.78 1age s TYR 116 Ca 0.17 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1age s TYR 116 Cb 0.05 -0.45 0.01 0.00 -0.11 0.00 0.00 41.96 41.46 1age s TYR 116 CO -0.00 -0.11 -0.02 0.00 -1.11 0.00 0.00 175.55 174.30 1age s ALA 117 N -2.24 0.37 -0.22 3.71 0.00 -0.27 -0.84 121.76 122.27 1age s ALA 117 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.88 1age s ALA 117 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1age s ALA 117 CO -0.02 0.01 -0.01 -0.47 0.00 0.00 0.00 175.76 175.28 1age s TYR 118 N 0.50 3.01 -1.43 0.00 5.04 0.63 -1.62 117.35 123.48 1age s TYR 118 Ca -0.05 -0.69 -0.08 0.00 -2.44 0.00 0.00 57.07 53.81 1age s TYR 118 Cb -0.08 -2.13 0.05 0.00 0.35 0.00 0.00 41.96 40.14 1age s TYR 118 CO -0.01 -0.42 0.64 -0.25 -1.34 0.00 0.00 175.55 174.18 1age n ASP 119 N 4.67 -4.89 0.00 4.32 8.00 0.12 -1.99 116.55 126.79 1age n ASP 119 Ca -0.17 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1age n ASP 119 Cb 0.51 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 1age n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1age n GLY 120 N -1.42 0.85 3.49 0.44 0.00 -1.26 -5.01 105.19 102.27 1age n GLY 120 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1age n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1age s LYS 121 N -0.37 2.61 0.27 1.61 1.02 -0.84 -5.07 119.74 118.98 1age s LYS 121 Ca 0.00 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 1age s LYS 121 Cb 0.00 -2.43 -0.12 0.00 -0.52 0.00 0.00 37.83 34.75 1age s LYS 121 CO 0.00 0.60 1.50 -0.25 -0.92 0.00 0.00 175.35 176.28 1age n ASP 122 N 2.38 3.32 -0.01 2.83 8.00 -1.26 -0.27 116.55 131.54 1age n ASP 122 Ca -0.17 1.15 -0.05 0.00 0.71 0.00 0.00 54.79 56.42 1age n ASP 122 Cb 0.52 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.09 1age n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1age n TYR 123 N 1.92 0.00 -3.59 1.24 9.36 -0.02 -4.69 117.16 121.38 1age n TYR 123 Ca 0.10 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.15 1age n TYR 123 Cb 0.34 -0.23 -0.07 0.00 -0.63 0.00 0.00 39.34 38.76 1age n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1age s ILE 124 N -2.27 0.01 -0.04 2.97 2.07 -1.18 -1.49 121.20 121.28 1age s ILE 124 Ca -0.11 -0.12 -0.07 0.00 -1.41 0.00 0.00 60.65 58.94 1age s ILE 124 Cb 0.03 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.74 1age s ILE 124 CO 0.16 -0.06 0.16 0.00 -1.91 0.00 0.00 174.94 173.29 1age s ALA 125 N -1.07 -0.40 -0.10 1.50 0.00 -0.74 -0.69 121.76 120.27 1age s ALA 125 Ca -0.11 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 1age s ALA 125 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1age s ALA 125 CO 0.08 -0.14 1.00 -1.17 0.00 0.00 0.00 175.76 175.53 1age s LEU 126 N -0.55 4.26 1.04 0.00 2.96 0.28 -1.76 118.68 124.92 1age s LEU 126 Ca -0.06 1.53 -0.12 0.00 -0.22 0.00 0.00 54.13 55.26 1age s LEU 126 Cb -0.04 -3.54 0.21 0.00 0.50 0.00 0.00 46.19 43.32 1age s LEU 126 CO 0.01 -0.43 1.07 0.20 -1.32 0.00 0.00 176.35 175.88 1age s ASN 127 N 1.09 2.10 0.58 3.68 0.01 -0.28 -4.57 114.94 117.55 1age s ASN 127 Ca 0.48 1.53 0.30 0.00 -0.71 0.00 0.00 52.86 54.47 1age s ASN 127 Cb -0.18 -2.22 1.77 0.00 0.41 0.00 0.00 41.25 41.03 1age s ASN 127 CO 0.19 -3.51 2.22 -0.08 -1.51 0.00 0.00 177.10 174.41 1age h GLU 128 N -2.15 0.00 0.00 -0.60 4.81 -1.89 -0.47 114.58 114.28 1age h GLU 128 Ca -0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1age h GLU 128 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1age h GLU 128 CO 0.52 0.03 0.00 -0.40 -0.73 0.00 0.00 179.01 178.42 1age n ASP 129 N -3.75 0.28 -2.12 1.04 5.68 -1.26 -4.75 116.55 111.67 1age n ASP 129 Ca -0.03 0.58 -0.21 0.00 -0.50 0.00 0.00 54.79 54.64 1age n ASP 129 Cb 0.12 -0.64 -0.04 0.00 -1.14 0.00 0.00 41.12 39.43 1age n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1age n LEU 130 N -1.83 -1.81 0.00 -2.12 4.77 -0.19 -4.81 117.00 111.03 1age n LEU 130 Ca 0.02 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1age n LEU 130 Cb 0.16 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.34 1age n LEU 130 CO 0.14 -0.50 -0.20 0.54 -1.33 0.00 0.00 177.39 176.04 1age n ARG 131 N -2.80 2.21 -4.52 3.23 1.74 -1.26 -4.52 116.66 110.74 1age n ARG 131 Ca -0.23 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.60 1age n ARG 131 Cb 0.69 -0.70 -0.09 0.00 -1.02 0.00 0.00 32.46 31.33 1age n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1age s SER 132 N -1.50 2.82 0.21 0.55 1.04 -1.26 -4.88 113.70 110.67 1age s SER 132 Ca 0.00 -1.53 0.09 0.00 0.48 0.00 0.00 55.95 54.99 1age s SER 132 Cb 0.00 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 1age s SER 132 CO 0.00 -0.75 -0.17 0.26 0.98 0.00 0.00 173.24 173.56 1age s TRP 133 N -3.19 1.86 -0.18 5.02 0.52 -1.26 -1.13 118.94 120.59 1age s TRP 133 Ca 0.28 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 55.91 1age s TRP 133 Cb 0.06 -0.87 0.04 0.00 -1.15 0.00 0.00 33.47 31.54 1age s TRP 133 CO 0.14 0.42 -0.11 0.99 0.02 0.00 0.00 176.95 178.41 1age s THR 134 N -2.60 1.56 -0.09 2.01 2.01 -0.72 -4.89 115.64 112.91 1age s THR 134 Ca 0.22 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.33 1age s THR 134 Cb -0.03 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1age s THR 134 CO 0.08 0.26 0.10 0.00 -0.69 0.00 0.00 174.62 174.37 1age s ALA 135 N 1.45 3.68 0.11 7.40 0.00 -1.26 -1.78 121.76 131.36 1age s ALA 135 Ca 0.01 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1age s ALA 135 Cb -0.15 -1.77 -0.20 0.00 0.00 0.00 0.00 23.12 21.00 1age s ALA 135 CO -0.09 0.63 1.24 0.00 0.00 0.00 0.00 175.76 177.54 1age h ALA 136 N 4.82 0.27 -3.19 0.00 0.00 -1.54 -3.48 119.26 116.14 1age h ALA 136 Ca -0.53 -0.86 -0.12 0.00 0.00 0.00 0.00 54.91 53.40 1age h ALA 136 Cb 1.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1age h ALA 136 CO 0.58 1.05 0.00 -0.40 0.00 0.00 0.00 179.25 180.49 1age n ASP 137 N -3.50 -1.07 0.29 0.00 5.68 -1.26 -5.03 116.55 111.67 1age n ASP 137 Ca -0.05 -2.13 0.17 0.00 -0.50 0.00 0.00 54.79 52.29 1age n ASP 137 Cb 0.95 1.89 0.90 0.00 -1.14 0.00 0.00 41.12 43.71 1age n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1age h THR 138 N 1.63 0.25 -0.07 2.12 1.35 -1.99 -1.87 112.91 114.33 1age h THR 138 Ca -0.19 -0.32 -0.12 0.00 -0.55 0.00 0.00 66.41 65.24 1age h THR 138 Cb 0.76 1.25 0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1age h THR 138 CO 0.24 0.04 -0.43 0.00 -0.25 0.00 0.00 175.52 175.13 1age h ALA 139 N 1.96 0.15 0.00 6.62 0.00 -1.97 -3.15 119.26 122.87 1age h ALA 139 Ca -0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1age h ALA 139 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1age h ALA 139 CO 0.01 0.29 -0.17 0.00 0.00 0.00 0.00 179.25 179.38 1age h ALA 140 N 0.43 1.60 0.00 0.00 0.00 -1.65 -0.88 119.26 118.76 1age h ALA 140 Ca -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1age h ALA 140 Cb 1.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1age h ALA 140 CO 0.09 0.22 -0.17 1.96 0.00 0.00 0.00 179.25 181.35 1age h GLN 141 N 0.00 0.00 -0.12 0.00 4.20 -1.33 0.15 115.11 118.02 1age h GLN 141 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1age h GLN 141 Cb 0.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1age h GLN 141 CO 0.02 0.17 -0.05 0.82 -0.67 0.00 0.00 178.83 179.13 1age h ILE 142 N 0.00 1.31 -0.71 2.54 1.08 -1.17 -0.50 117.51 120.06 1age h ILE 142 Ca -0.00 -1.04 0.04 0.00 -0.39 0.00 0.00 64.86 63.46 1age h ILE 142 Cb 0.32 1.76 -0.05 0.00 -3.07 0.00 0.00 36.82 35.78 1age h ILE 142 CO 0.02 0.30 0.44 0.74 -0.69 0.00 0.00 178.15 178.96 1age h THR 143 N -0.11 1.07 -0.53 -0.27 2.02 -1.27 -2.29 112.91 111.54 1age h THR 143 Ca 0.03 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.93 1age h THR 143 Cb 0.49 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1age h THR 143 CO 0.01 0.15 0.34 -0.61 0.37 0.00 0.00 175.52 175.78 1age h GLN 144 N 0.84 0.66 -0.62 6.66 4.15 -0.43 -0.90 115.11 125.47 1age h GLN 144 Ca 0.29 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 1age h GLN 144 Cb 0.06 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 1age h GLN 144 CO -0.13 0.43 0.36 0.00 -1.93 0.00 0.00 178.83 177.56 1age h ARG 145 N 0.68 0.85 -0.53 1.69 3.08 -0.72 0.12 114.38 119.54 1age h ARG 145 Ca 0.20 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 1age h ARG 145 Cb -0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1age h ARG 145 CO -0.07 0.62 0.11 0.87 -1.07 0.00 0.00 179.97 180.43 1age h LYS 146 N 0.83 0.86 -0.41 0.04 1.57 -1.11 -1.79 116.57 116.56 1age h LYS 146 Ca 0.22 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1age h LYS 146 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1age h LYS 146 CO -0.04 0.83 -0.31 -1.49 -0.57 0.00 0.00 179.45 177.87 1age h TRP 147 N 0.75 1.08 -0.71 -1.35 4.06 -0.94 -1.35 115.95 117.49 1age h TRP 147 Ca 0.16 -0.29 -0.04 0.00 2.06 0.00 0.00 58.89 60.78 1age h TRP 147 Cb 0.37 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 1age h TRP 147 CO 0.03 1.10 0.30 0.93 -3.56 0.00 0.00 178.44 177.23 1age h GLU 148 N 0.77 1.06 -0.24 0.49 5.08 -0.66 -0.61 114.58 120.47 1age h GLU 148 Ca 0.08 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 1age h GLU 148 Cb 0.89 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1age h GLU 148 CO 0.08 0.86 -0.49 0.00 -1.00 0.00 0.00 179.01 178.46 1age h ALA 149 N 1.14 0.69 -0.01 3.43 0.00 -1.24 -2.75 119.26 120.52 1age h ALA 149 Ca 0.24 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1age h ALA 149 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1age h ALA 149 CO -0.02 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 179.86 1age n ALA 150 N -2.52 2.67 -3.55 0.00 0.00 -0.52 -4.93 120.51 111.66 1age n ALA 150 Ca -0.03 -0.36 -0.19 0.00 0.00 0.00 0.00 53.44 52.86 1age n ALA 150 Cb 0.58 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.83 1age n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1age n ARG 151 N -0.32 -5.53 -0.08 0.00 1.74 -0.48 -4.91 116.66 107.08 1age n ARG 151 Ca 0.19 0.74 -0.15 0.00 -0.77 0.00 0.00 57.85 57.86 1age n ARG 151 Cb 0.29 -5.52 -0.04 0.00 -1.02 0.00 0.00 32.46 26.17 1age n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1age h VAL 152 N -1.85 1.28 -0.91 1.55 2.07 -1.43 -3.13 116.25 113.83 1age h VAL 152 Ca -0.60 -1.70 0.16 0.00 0.82 0.00 0.00 66.70 65.38 1age h VAL 152 Cb 1.35 1.64 -0.07 0.00 -1.52 0.00 0.00 31.29 32.69 1age h VAL 152 CO 0.53 0.55 0.59 0.00 0.02 0.00 0.00 177.57 179.25 1age h ALA 153 N 0.67 1.89 -0.13 1.67 0.00 -1.90 0.69 119.26 122.16 1age h ALA 153 Ca 0.02 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1age h ALA 153 Cb 1.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1age h ALA 153 CO 0.12 -0.16 -0.15 0.93 0.00 0.00 0.00 179.25 179.99 1age h GLU 154 N 0.65 0.20 0.00 0.00 3.07 -1.81 0.96 114.58 117.65 1age h GLU 154 Ca 0.47 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 59.14 1age h GLU 154 Cb 0.84 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.74 1age h GLU 154 CO -0.23 0.36 -0.56 1.96 -1.40 0.00 0.00 179.01 179.15 1age h GLN 155 N 0.19 0.38 -0.50 2.33 1.08 -0.98 -2.87 115.11 114.74 1age h GLN 155 Ca 0.04 -0.41 -0.02 0.00 -1.45 0.00 0.00 58.65 56.81 1age h GLN 155 Cb 0.39 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1age h GLN 155 CO 0.02 1.08 0.22 -0.44 -0.95 0.00 0.00 178.83 178.77 1age h ASP 156 N -0.16 0.68 -0.60 1.46 3.32 -1.06 -2.52 116.42 117.53 1age h ASP 156 Ca -0.07 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 56.89 1age h ASP 156 Cb 1.28 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 1age h ASP 156 CO 0.11 0.64 0.29 -0.09 -1.72 0.00 0.00 179.24 178.48 1age h ARG 157 N 0.67 0.53 -0.28 3.56 2.43 -0.88 0.20 114.38 120.61 1age h ARG 157 Ca 0.17 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1age h ARG 157 Cb 0.16 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1age h ARG 157 CO -0.02 0.35 -0.12 0.00 -1.51 0.00 0.00 179.97 178.67 1age h ALA 158 N 1.35 1.28 -0.01 2.80 0.00 -1.30 0.10 119.26 123.48 1age h ALA 158 Ca 0.28 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1age h ALA 158 Cb 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1age h ALA 158 CO -0.21 0.48 -0.01 -0.92 0.00 0.00 0.00 179.25 178.58 1age h TYR 159 N 0.43 0.03 -0.69 0.00 3.20 -0.82 -0.10 116.97 119.03 1age h TYR 159 Ca 0.08 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1age h TYR 159 Cb 0.47 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1age h TYR 159 CO 0.01 0.55 0.34 -0.07 -1.64 0.00 0.00 178.16 177.35 1age h LEU 160 N -0.49 0.88 0.00 2.82 3.38 -0.40 0.12 115.31 121.61 1age h LEU 160 Ca 0.00 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.65 1age h LEU 160 Cb 0.54 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1age h LEU 160 CO 0.00 0.73 -1.38 -0.33 0.09 0.00 0.00 178.44 177.56 1age h GLU 161 N 0.97 0.00 0.00 1.13 5.08 -1.05 -3.35 114.58 117.36 1age h GLU 161 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1age h GLU 161 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1age h GLU 161 CO -0.03 0.59 0.00 0.41 -1.00 0.00 0.00 179.01 178.97 1age n GLY 162 N 1.45 -0.05 0.30 -3.84 0.00 -0.05 -4.62 105.19 98.37 1age n GLY 162 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1age n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1age h THR 163 N 0.00 0.34 -0.08 2.61 2.02 -1.56 -1.81 112.91 114.42 1age h THR 163 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1age h THR 163 Cb 0.00 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1age h THR 163 CO 0.00 0.04 0.04 0.00 0.37 0.00 0.00 175.52 175.96 1age h VAL 165 N -0.01 1.26 -0.54 0.00 2.07 -1.54 -1.55 116.25 115.94 1age h VAL 165 Ca 0.03 -0.86 -0.12 0.00 0.82 0.00 0.00 66.70 66.57 1age h VAL 165 Cb 0.15 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1age h VAL 165 CO -0.00 0.35 -0.12 -0.33 0.02 0.00 0.00 177.57 177.49 1age h GLU 166 N 1.14 1.03 -0.16 1.57 5.08 -1.28 -0.80 114.58 121.16 1age h GLU 166 Ca 0.26 -0.38 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 1age h GLU 166 Cb 0.25 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1age h GLU 166 CO -0.02 1.07 -0.64 -1.49 -1.00 0.00 0.00 179.01 176.94 1age h TRP 167 N 0.91 0.78 -0.23 4.33 4.06 -1.25 -1.40 115.95 123.15 1age h TRP 167 Ca 0.14 -0.30 -0.01 0.00 2.06 0.00 0.00 58.89 60.78 1age h TRP 167 Cb 0.69 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.70 1age h TRP 167 CO 0.05 1.07 0.12 1.25 -3.56 0.00 0.00 178.44 177.37 1age h LEU 168 N 0.44 0.29 -1.16 -4.49 5.85 -1.16 0.24 115.31 115.33 1age h LEU 168 Ca -0.01 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1age h LEU 168 Cb 1.21 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1age h LEU 168 CO 0.12 0.30 0.57 0.03 -0.34 0.00 0.00 178.44 179.13 1age h ARG 169 N 0.26 1.07 -0.18 1.25 3.08 -1.04 0.25 114.38 119.07 1age h ARG 169 Ca 0.08 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1age h ARG 169 Cb 0.08 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1age h ARG 169 CO -0.01 0.71 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.36 1age h ARG 170 N 1.10 0.42 -0.62 0.04 2.43 -0.67 -2.96 114.38 114.12 1age h ARG 170 Ca 0.34 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1age h ARG 170 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1age h ARG 170 CO -0.10 0.77 0.40 1.88 -1.51 0.00 0.00 179.97 181.41 1age h TYR 171 N 0.09 0.80 -0.51 2.20 0.05 -0.07 -1.99 116.97 117.53 1age h TYR 171 Ca 0.03 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1age h TYR 171 Cb 0.67 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 1age h TYR 171 CO 0.08 0.52 0.22 -0.07 -1.05 0.00 0.00 178.16 177.86 1age h LEU 172 N 0.84 0.66 -0.14 3.88 3.38 -0.99 -1.47 115.31 121.47 1age h LEU 172 Ca 0.23 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.89 1age h LEU 172 Cb -0.07 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1age h LEU 172 CO -0.05 0.58 -0.86 -0.08 0.09 0.00 0.00 178.44 178.12 1age h GLU 173 N 0.73 0.71 0.00 1.13 4.57 -1.31 -2.19 114.58 118.22 1age h GLU 173 Ca 0.18 -0.64 -0.07 0.00 -1.18 0.00 0.00 59.36 57.65 1age h GLU 173 Cb 0.12 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1age h GLU 173 CO -0.02 1.24 -0.32 -0.91 -1.18 0.00 0.00 179.01 177.82 1age h ASN 174 N 0.46 0.00 -0.22 1.04 -0.26 -1.12 -3.15 115.58 112.34 1age h ASN 174 Ca -0.07 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.51 1age h ASN 174 Cb 1.49 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 38.64 1age h ASN 174 CO 0.17 0.32 -0.51 0.61 -1.06 0.00 0.00 177.43 176.96 1age n GLY 175 N 0.21 5.41 0.36 2.83 0.00 -0.58 -4.82 105.19 108.62 1age n GLY 175 Ca -0.00 -1.62 0.18 0.00 0.00 0.00 0.00 46.02 44.59 1age n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1age h LYS 176 N 1.28 0.02 0.00 1.61 2.10 -1.35 0.15 116.57 120.37 1age h LYS 176 Ca 0.12 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.73 1age h LYS 176 Cb 1.19 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 1age h LYS 176 CO 0.23 0.01 -0.18 -0.44 -2.00 0.00 0.00 179.45 177.08 1age h ASP 177 N 0.02 0.00 0.00 7.07 3.32 -1.88 -2.71 116.42 122.23 1age h ASP 177 Ca 0.22 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 1age h ASP 177 Cb 0.86 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1age h ASP 177 CO -0.01 0.18 -1.38 0.35 -1.72 0.00 0.00 179.24 176.66 1age n THR 178 N -3.65 0.38 -0.34 0.35 -2.24 -0.82 -4.43 114.28 103.53 1age n THR 178 Ca -0.01 -0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.68 1age n THR 178 Cb 0.30 -1.55 0.17 0.00 -2.10 0.00 0.00 70.33 67.15 1age n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1age h LEU 179 N -0.23 1.04 -2.76 3.22 3.38 -0.87 -1.73 115.31 117.36 1age h LEU 179 Ca -0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1age h LEU 179 Cb 1.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1age h LEU 179 CO -0.10 0.72 0.00 -0.62 0.09 0.00 0.00 178.44 178.52 1age n GLU 180 N -4.44 3.63 -4.24 1.13 -0.58 -1.02 -4.87 120.64 110.25 1age n GLU 180 Ca 0.13 -2.30 -0.34 0.00 -0.42 0.00 0.00 57.16 54.23 1age n GLU 180 Cb 0.10 -1.96 -0.15 0.00 -0.57 0.00 0.00 31.44 28.85 1age n GLU 180 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1age s ARG 181 N -2.13 3.19 -0.20 3.49 3.52 -0.65 -4.99 118.95 121.19 1age s ARG 181 Ca 0.40 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 55.16 1age s ARG 181 Cb 0.29 -2.71 -0.05 0.00 -1.56 0.00 0.00 34.95 30.92 1age s ARG 181 CO 0.14 -0.11 0.14 0.00 -0.81 0.00 0.00 175.30 174.67 1age s ALA 182 N 1.13 3.69 -0.31 6.12 0.00 -1.26 -4.74 121.76 126.39 1age s ALA 182 Ca 0.01 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 1age s ALA 182 Cb -0.14 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 1age s ALA 182 CO -0.05 0.17 0.19 -0.51 0.00 0.00 0.00 175.76 175.56 1age s ASP 183 N 0.33 5.83 0.62 0.00 1.01 0.75 -4.76 116.67 120.45 1age s ASP 183 Ca 0.09 -0.31 -0.18 0.00 0.71 0.00 0.00 52.55 52.85 1age s ASP 183 Cb -0.11 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 1age s ASP 183 CO -0.01 -0.15 1.20 -2.16 0.21 0.00 0.00 175.17 174.25 1age s PRO 184 N 1.69 2.81 0.43 8.23 0.04 -1.26 -1.80 135.00 145.14 1age s PRO 184 Ca 0.06 1.78 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 1age s PRO 184 Cb -0.17 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1age s PRO 184 CO 0.09 -1.32 0.99 -1.25 0.04 0.00 0.00 177.00 175.55 1age s PRO 185 N -3.50 4.12 -0.17 0.56 0.04 -1.26 -4.28 135.00 130.51 1age s PRO 185 Ca 0.76 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 1age s PRO 185 Cb -0.29 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 1age s PRO 185 CO 0.36 -0.15 0.50 0.15 0.04 0.00 0.00 177.00 177.90 1age s LYS 186 N -2.97 4.24 0.18 4.56 3.01 0.83 -4.83 119.74 124.76 1age s LYS 186 Ca 0.62 0.42 0.10 0.00 -1.01 0.00 0.00 55.97 56.10 1age s LYS 186 Cb -0.14 -3.51 -0.04 0.00 -1.01 0.00 0.00 37.83 33.12 1age s LYS 186 CO 0.19 -0.03 -0.22 0.95 0.51 0.00 0.00 175.35 176.75 1age s THR 187 N 1.25 2.14 0.00 2.17 -4.23 -1.26 -1.41 115.64 114.30 1age s THR 187 Ca 0.24 -1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 58.50 1age s THR 187 Cb -0.15 -2.00 0.10 0.00 1.34 0.00 0.00 72.50 71.79 1age s THR 187 CO 0.10 -0.18 0.98 -1.38 -0.54 0.00 0.00 174.62 173.60 1age s HIS 188 N -1.76 -0.25 -0.07 3.99 -3.43 -1.16 -5.01 115.29 107.60 1age s HIS 188 Ca 0.18 0.09 0.05 0.00 -0.80 0.00 0.00 55.06 54.58 1age s HIS 188 Cb -0.07 0.56 -0.00 0.00 -1.43 0.00 0.00 32.58 31.63 1age s HIS 188 CO 0.08 -0.54 -0.23 0.08 -2.00 0.00 0.00 174.74 172.14 1age s VAL 189 N -3.01 1.93 0.48 -5.38 1.01 -1.26 -0.82 120.40 113.36 1age s VAL 189 Ca 0.08 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.15 1age s VAL 189 Cb -0.01 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1age s VAL 189 CO -0.06 0.54 0.41 0.42 0.00 0.00 0.00 175.10 176.41 1age s THR 190 N 0.07 2.16 -0.13 3.92 -4.23 -0.28 -4.73 115.64 112.42 1age s THR 190 Ca -0.09 -1.40 -0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1age s THR 190 Cb -0.15 -2.56 0.07 0.00 1.34 0.00 0.00 72.50 71.20 1age s THR 190 CO 0.05 0.00 0.27 -2.28 -0.54 0.00 0.00 174.62 172.13 1age s HIS 191 N -2.63 -0.45 -0.26 3.99 2.46 -1.26 -2.26 115.29 114.88 1age s HIS 191 Ca 0.43 1.01 0.02 0.00 0.47 0.00 0.00 55.06 56.99 1age s HIS 191 Cb -0.02 -0.01 0.07 0.00 -0.13 0.00 0.00 32.58 32.48 1age s HIS 191 CO 0.26 -0.36 -0.05 -1.01 -2.47 0.00 0.00 174.74 171.10 1age s HIS 192 N 2.43 2.92 0.47 3.88 3.76 0.37 -4.94 115.29 124.18 1age s HIS 192 Ca 0.01 -2.18 -0.24 0.00 -0.15 0.00 0.00 55.06 52.50 1age s HIS 192 Cb -0.12 -1.94 -0.08 0.00 1.11 0.00 0.00 32.58 31.55 1age s HIS 192 CO -0.09 -0.85 1.34 -2.30 -0.85 0.00 0.00 174.74 171.99 1age n PRO 193 N 4.52 1.97 -0.07 8.40 -0.02 -1.26 -0.76 135.00 147.77 1age n PRO 193 Ca -0.10 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 1age n PRO 193 Cb 0.43 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 1age n PRO 193 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1age n ILE 194 N -0.44 0.86 -3.39 4.25 5.41 -0.34 -4.83 119.36 120.87 1age n ILE 194 Ca 0.07 -0.36 -0.04 0.00 1.00 0.00 0.00 62.75 63.42 1age n ILE 194 Cb 0.42 -0.97 0.01 0.00 -0.71 0.00 0.00 39.64 38.38 1age n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1age n SER 195 N -2.85 -1.01 0.28 4.38 3.41 -1.02 -4.97 113.62 111.83 1age n SER 195 Ca -0.25 -1.74 0.18 0.00 -0.26 0.00 0.00 58.87 56.80 1age n SER 195 Cb 0.80 1.70 0.71 0.00 -0.26 0.00 0.00 64.21 67.17 1age n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1age h ASP 196 N 0.90 0.00 0.36 4.04 3.32 -2.03 -3.27 116.42 119.74 1age h ASP 196 Ca -0.15 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.58 1age h ASP 196 Cb 0.56 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 1age h ASP 196 CO 0.19 0.00 -1.87 1.41 -1.72 0.00 0.00 179.24 177.25 1age n HIS 197 N -3.09 0.85 -4.15 4.55 8.25 -1.26 -4.73 115.22 115.64 1age n HIS 197 Ca 0.00 0.29 -0.10 0.00 -0.26 0.00 0.00 57.72 57.65 1age n HIS 197 Cb 0.29 -1.15 -0.10 0.00 1.12 0.00 0.00 29.99 30.15 1age n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1age s GLU 198 N -2.57 0.81 0.05 -0.41 2.02 -1.23 -1.09 118.70 116.27 1age s GLU 198 Ca -0.08 -1.34 -0.08 0.00 0.02 0.00 0.00 54.97 53.49 1age s GLU 198 Cb 0.08 -0.02 -0.00 0.00 0.10 0.00 0.00 34.13 34.28 1age s GLU 198 CO 0.81 -0.09 0.16 0.00 0.02 0.00 0.00 175.26 176.16 1age s ALA 199 N -3.78 -0.23 -0.17 5.21 0.00 -0.22 -1.20 121.76 121.37 1age s ALA 199 Ca 0.13 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.57 1age s ALA 199 Cb 0.07 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 1age s ALA 199 CO -0.05 -0.37 0.12 0.99 0.00 0.00 0.00 175.76 176.45 1age s THR 200 N -2.84 5.37 -0.21 0.00 2.01 0.06 -0.46 115.64 119.57 1age s THR 200 Ca -0.03 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.11 1age s THR 200 Cb 0.00 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 1age s THR 200 CO -0.05 0.51 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.56 1age s LEU 201 N -0.14 2.79 -0.17 4.42 1.43 -0.58 -0.47 118.68 125.96 1age s LEU 201 Ca 0.10 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1age s LEU 201 Cb -0.11 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 1age s LEU 201 CO 0.00 -0.01 -0.12 -0.60 0.23 0.00 0.00 176.35 175.85 1age s ARG 202 N 1.43 3.31 -0.25 1.70 3.52 -0.96 -1.75 118.95 125.95 1age s ARG 202 Ca 0.05 -0.70 -0.11 0.00 -0.13 0.00 0.00 55.73 54.84 1age s ARG 202 Cb -0.14 -2.73 -0.05 0.00 -1.56 0.00 0.00 34.95 30.47 1age s ARG 202 CO -0.04 0.01 0.20 0.00 -0.81 0.00 0.00 175.30 174.66 1age s TRP 204 N 1.33 3.43 -0.10 0.00 0.52 -0.00 -1.87 118.94 122.25 1age s TRP 204 Ca 0.09 0.31 -0.02 0.00 0.02 0.00 0.00 56.10 56.49 1age s TRP 204 Cb -0.14 -1.80 0.04 0.00 -1.15 0.00 0.00 33.47 30.41 1age s TRP 204 CO 0.07 0.61 0.03 0.00 0.02 0.00 0.00 176.95 177.68 1age s ALA 205 N -1.23 0.64 0.08 0.98 0.00 -0.68 -3.01 121.76 118.54 1age s ALA 205 Ca 0.24 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1age s ALA 205 Cb -0.12 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1age s ALA 205 CO 0.15 -0.65 -0.10 -0.51 0.00 0.00 0.00 175.76 174.65 1age s LEU 206 N 2.01 2.35 -1.47 0.00 1.43 -0.50 -1.57 118.68 120.94 1age s LEU 206 Ca 0.04 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1age s LEU 206 Cb -0.13 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.81 1age s LEU 206 CO -0.06 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1age n GLY 207 N 0.86 0.72 3.93 -3.19 0.00 -1.01 -0.12 105.19 106.38 1age n GLY 207 Ca -0.18 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 1age n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1age s PHE 208 N -2.65 3.49 -0.18 1.61 -0.71 -1.15 -4.68 117.98 113.71 1age s PHE 208 Ca 0.00 0.24 -0.13 0.00 -1.04 0.00 0.00 56.93 56.00 1age s PHE 208 Cb 0.00 -1.76 0.05 0.00 -1.21 0.00 0.00 43.02 40.10 1age s PHE 208 CO 0.00 0.47 0.45 -0.47 -1.34 0.00 0.00 175.22 174.33 1age s TYR 209 N -1.76 -0.59 1.02 3.49 6.14 -0.75 -0.33 117.35 124.57 1age s TYR 209 Ca 0.36 1.32 -0.16 0.00 0.64 0.00 0.00 57.07 59.23 1age s TYR 209 Cb -0.11 0.25 0.21 0.00 0.42 0.00 0.00 41.96 42.73 1age s TYR 209 CO 0.28 -0.31 1.23 -1.25 0.64 0.00 0.00 175.55 176.15 1age s PRO 210 N 0.88 0.24 0.32 4.97 0.04 -1.26 -0.18 135.00 140.01 1age s PRO 210 Ca -0.05 -0.20 0.02 0.00 0.04 0.00 0.00 61.00 60.81 1age s PRO 210 Cb -0.06 -1.78 0.59 0.00 0.04 0.00 0.00 34.50 33.29 1age s PRO 210 CO -0.07 -2.71 1.94 0.00 0.04 0.00 0.00 177.00 176.19 1age h ALA 211 N -1.86 1.56 -1.70 8.56 0.00 -1.93 -3.44 119.26 120.45 1age h ALA 211 Ca -0.45 -0.03 -0.70 0.00 0.00 0.00 0.00 54.91 53.73 1age h ALA 211 Cb 1.27 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 18.83 1age h ALA 211 CO 0.41 0.33 0.91 -1.91 0.00 0.00 0.00 179.25 178.99 1age n GLU 212 N -4.47 1.44 -3.63 0.00 4.07 -1.26 -4.96 120.64 111.82 1age n GLU 212 Ca 0.12 0.53 -0.10 0.00 -0.06 0.00 0.00 57.16 57.64 1age n GLU 212 Cb 0.18 -2.25 -0.03 0.00 -0.06 0.00 0.00 31.44 29.28 1age n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1age s ILE 213 N 3.31 0.02 -0.12 6.31 2.07 -1.26 -4.66 121.20 126.86 1age s ILE 213 Ca 0.95 -0.50 -0.02 0.00 -1.41 0.00 0.00 60.65 59.67 1age s ILE 213 Cb -0.95 -1.39 0.04 0.00 0.13 0.00 0.00 42.46 40.29 1age s ILE 213 CO 0.60 -0.08 0.01 -0.89 -1.91 0.00 0.00 174.94 172.67 1age s THR 214 N -3.83 0.48 -0.18 4.00 2.01 -0.81 -5.00 115.64 112.32 1age s THR 214 Ca 0.06 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 1age s THR 214 Cb -0.01 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.73 1age s THR 214 CO -0.06 0.09 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.04 1age s LEU 215 N 1.91 2.41 0.07 4.42 1.43 -1.26 -1.34 118.68 126.32 1age s LEU 215 Ca 0.03 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1age s LEU 215 Cb -0.14 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1age s LEU 215 CO -0.07 0.03 -0.06 0.42 0.23 0.00 0.00 176.35 176.90 1age s THR 216 N 1.15 0.51 -0.03 5.49 -4.23 -0.69 -4.92 115.64 112.91 1age s THR 216 Ca 0.01 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1age s THR 216 Cb -0.14 -1.24 -0.02 0.00 1.34 0.00 0.00 72.50 72.44 1age s THR 216 CO -0.06 -0.74 -0.21 0.26 -0.54 0.00 0.00 174.62 173.33 1age s TRP 217 N -2.90 2.49 -0.04 3.99 0.52 -1.26 -0.26 118.94 121.48 1age s TRP 217 Ca 0.03 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 55.86 1age s TRP 217 Cb 0.00 -1.56 -0.00 0.00 -1.15 0.00 0.00 33.47 30.76 1age s TRP 217 CO -0.04 0.05 -0.18 -0.65 0.02 0.00 0.00 176.95 176.14 1age s GLN 218 N -0.63 1.86 -0.28 4.98 -0.21 -0.13 -0.87 119.66 124.38 1age s GLN 218 Ca 0.10 -0.65 -0.07 0.00 0.02 0.00 0.00 55.36 54.76 1age s GLN 218 Cb -0.10 -1.62 -0.00 0.00 1.00 0.00 0.00 33.01 32.28 1age s GLN 218 CO -0.00 0.27 0.07 -0.98 -2.12 0.00 0.00 175.29 172.53 1age s ARG 219 N -0.01 3.26 -1.24 2.91 1.70 0.20 -1.39 118.95 124.38 1age s ARG 219 Ca -0.03 -0.74 -0.08 0.00 -0.47 0.00 0.00 55.73 54.41 1age s ARG 219 Cb -0.12 -3.34 0.01 0.00 -0.57 0.00 0.00 34.95 30.93 1age s ARG 219 CO 0.02 -0.36 1.08 -0.25 -1.08 0.00 0.00 175.30 174.71 1age n ASP 220 N 4.88 -5.84 0.00 -2.89 8.00 0.13 -1.85 116.55 118.98 1age n ASP 220 Ca -0.15 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1age n ASP 220 Cb 0.49 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.92 1age n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1age n GLY 221 N -1.85 0.72 3.73 0.44 0.00 -1.26 -5.00 105.19 101.96 1age n GLY 221 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1age n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1age s GLU 222 N -0.26 4.04 0.32 1.61 2.56 -0.77 -5.01 118.70 121.18 1age s GLU 222 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 54.97 54.45 1age s GLU 222 Cb 0.00 -3.35 -0.10 0.00 2.00 0.00 0.00 34.13 32.68 1age s GLU 222 CO 0.00 0.37 1.40 -0.51 -0.56 0.00 0.00 175.26 175.96 1age s ASP 223 N 0.16 6.61 -0.56 -1.70 1.01 -1.26 -0.63 116.67 120.30 1age s ASP 223 Ca 0.08 2.79 0.02 0.00 0.71 0.00 0.00 52.55 56.15 1age s ASP 223 Cb -0.11 -2.65 0.43 0.00 1.01 0.00 0.00 42.92 41.60 1age s ASP 223 CO -0.01 -0.68 1.67 0.00 0.21 0.00 0.00 175.17 176.35 1age n GLN 224 N 1.16 3.07 -0.16 8.23 1.13 -0.05 -4.84 117.38 125.92 1age n GLN 224 Ca 0.02 -3.75 -0.02 0.00 -1.94 0.00 0.00 57.00 51.31 1age n GLN 224 Cb 0.40 -2.28 0.05 0.00 0.11 0.00 0.00 30.24 28.53 1age n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1age h THR 225 N 1.74 0.55 0.00 5.09 2.02 -1.92 -0.16 112.91 120.23 1age h THR 225 Ca 0.49 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.62 1age h THR 225 Cb 0.89 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1age h THR 225 CO 1.23 0.01 -0.14 1.56 0.37 0.00 0.00 175.52 178.54 1age h GLN 226 N 0.06 0.00 -0.02 6.66 1.08 -2.00 -3.06 115.11 117.83 1age h GLN 226 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1age h GLN 226 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1age h GLN 226 CO -0.47 0.14 -0.13 -0.25 -0.95 0.00 0.00 178.83 177.17 1age n ASP 227 N -3.87 2.66 -4.75 1.46 8.00 -0.20 -4.96 116.55 114.88 1age n ASP 227 Ca -0.02 -1.83 -0.38 0.00 0.71 0.00 0.00 54.79 53.28 1age n ASP 227 Cb 0.24 0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 1age n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1age s THR 228 N -2.07 5.18 -0.30 -3.53 2.01 -0.43 -4.60 115.64 111.91 1age s THR 228 Ca 0.24 0.83 -0.13 0.00 0.31 0.00 0.00 61.69 62.94 1age s THR 228 Cb 0.19 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1age s THR 228 CO 0.37 0.40 0.27 -0.70 -0.69 0.00 0.00 174.62 174.27 1age s GLU 229 N 0.19 3.85 -0.16 4.92 2.12 0.34 -4.91 118.70 125.04 1age s GLU 229 Ca 0.23 -0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.27 1age s GLU 229 Cb -0.15 -3.70 -0.01 0.00 0.26 0.00 0.00 34.13 30.53 1age s GLU 229 CO 0.09 -0.30 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.23 1age s LEU 230 N 1.88 2.70 0.43 2.70 2.96 -1.26 -0.08 118.68 128.01 1age s LEU 230 Ca 0.10 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1age s LEU 230 Cb -0.16 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1age s LEU 230 CO 0.11 0.09 0.69 0.68 -1.32 0.00 0.00 176.35 176.60 1age s VAL 231 N 0.80 4.91 0.28 1.68 -7.23 -0.93 -5.04 120.40 114.87 1age s VAL 231 Ca -0.04 -0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.75 1age s VAL 231 Cb -0.15 -3.84 -0.10 0.00 0.56 0.00 0.00 36.38 32.86 1age s VAL 231 CO 0.01 -0.71 1.18 -0.70 -0.31 0.00 0.00 175.10 174.57 1age s GLU 232 N -4.58 4.53 0.19 4.82 2.12 -1.26 -4.66 118.70 119.87 1age s GLU 232 Ca 0.45 1.94 -0.33 0.00 0.36 0.00 0.00 54.97 57.39 1age s GLU 232 Cb -0.10 -3.16 -0.13 0.00 0.26 0.00 0.00 34.13 31.00 1age s GLU 232 CO 0.41 0.05 1.64 2.41 -0.54 0.00 0.00 175.26 179.23 1age n THR 233 N 1.27 0.08 -4.51 -1.70 -1.04 -1.26 -4.85 114.28 102.27 1age n THR 233 Ca 0.00 -0.02 -0.26 0.00 -2.04 0.00 0.00 64.05 61.73 1age n THR 233 Cb 0.44 -1.75 -0.13 0.00 -1.82 0.00 0.00 70.33 67.06 1age n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1age s ARG 234 N 0.91 1.34 0.21 -2.82 1.70 -0.64 -4.94 118.95 114.71 1age s ARG 234 Ca 0.76 -1.10 -0.30 0.00 -0.47 0.00 0.00 55.73 54.63 1age s ARG 234 Cb -0.59 -1.57 -0.08 0.00 -0.57 0.00 0.00 34.95 32.13 1age s ARG 234 CO 0.36 0.39 1.11 -1.25 -1.08 0.00 0.00 175.30 174.82 1age s PRO 235 N -1.57 4.60 0.16 3.89 0.04 -1.26 -0.81 135.00 140.05 1age s PRO 235 Ca 0.08 1.75 0.18 0.00 0.04 0.00 0.00 61.00 63.06 1age s PRO 235 Cb -0.10 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1age s PRO 235 CO 0.03 0.11 1.04 0.00 0.04 0.00 0.00 177.00 178.22 1age h ALA 236 N 4.72 0.64 0.00 8.56 0.00 -1.38 -3.47 119.26 128.33 1age h ALA 236 Ca -0.45 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1age h ALA 236 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1age h ALA 236 CO 0.71 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.97 1age n GLY 237 N 1.30 0.70 0.08 0.00 0.00 -1.26 -4.94 105.19 101.07 1age n GLY 237 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1age n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1age n ASP 238 N 0.00 2.34 0.00 1.61 5.68 -1.26 -4.92 116.55 120.00 1age n ASP 238 Ca 0.00 -2.96 0.00 0.00 -0.50 0.00 0.00 54.79 51.33 1age n ASP 238 Cb 0.00 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 39.60 1age n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1age n ARG 239 N -1.31 0.00 -2.48 0.11 1.85 -1.26 -5.04 116.66 108.53 1age n ARG 239 Ca 0.14 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.76 1age n ARG 239 Cb 0.60 -0.40 0.07 0.00 -1.05 0.00 0.00 32.46 31.68 1age n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1age s THR 240 N -2.31 2.41 0.28 8.89 -4.23 -1.26 -4.84 115.64 114.58 1age s THR 240 Ca 0.00 -0.51 0.06 0.00 -1.18 0.00 0.00 61.69 60.06 1age s THR 240 Cb 0.00 -2.90 -0.06 0.00 1.34 0.00 0.00 72.50 70.89 1age s THR 240 CO 0.00 0.00 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.69 1age s PHE 241 N -3.03 1.91 0.08 3.99 0.40 0.55 -0.98 117.98 120.89 1age s PHE 241 Ca 0.61 -0.77 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1age s PHE 241 Cb -0.09 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1age s PHE 241 CO 0.42 0.20 -0.06 -0.65 0.70 0.00 0.00 175.22 175.83 1age s GLN 242 N -3.77 0.72 -0.15 0.44 -0.21 0.01 -2.40 119.66 114.30 1age s GLN 242 Ca 0.30 -1.22 -0.30 0.00 0.02 0.00 0.00 55.36 54.17 1age s GLN 242 Cb 0.05 -0.09 0.13 0.00 1.00 0.00 0.00 33.01 34.10 1age s GLN 242 CO 0.12 -0.04 1.04 0.21 -2.12 0.00 0.00 175.29 174.50 1age s LYS 243 N -3.52 0.54 0.02 2.91 2.20 -0.61 -1.62 119.74 119.66 1age s LYS 243 Ca 0.07 0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 55.64 1age s LYS 243 Cb 0.04 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1age s LYS 243 CO -0.05 -0.19 0.16 1.67 -0.36 0.00 0.00 175.35 176.58 1age s TRP 244 N -1.51 0.06 -0.07 4.03 1.48 -1.26 -1.68 118.94 119.99 1age s TRP 244 Ca 0.01 -0.23 0.02 0.00 -1.06 0.00 0.00 56.10 54.85 1age s TRP 244 Cb -0.01 -0.05 0.01 0.00 -1.16 0.00 0.00 33.47 32.26 1age s TRP 244 CO -0.02 -0.36 -0.14 0.00 -4.06 0.00 0.00 176.95 172.38 1age s ALA 245 N -2.04 1.39 0.13 2.67 0.00 -0.78 -2.19 121.76 120.94 1age s ALA 245 Ca -0.09 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 51.46 1age s ALA 245 Cb -0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1age s ALA 245 CO -0.01 0.14 -0.20 0.00 0.00 0.00 0.00 175.76 175.69 1age s ALA 246 N 0.62 1.91 -0.05 0.00 0.00 0.89 -0.43 121.76 124.70 1age s ALA 246 Ca -0.15 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 1age s ALA 246 Cb -0.16 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1age s ALA 246 CO 0.04 0.30 0.13 0.54 0.00 0.00 0.00 175.76 176.77 1age s VAL 247 N -1.60 -0.01 -0.16 0.00 0.11 -0.72 -0.51 120.40 117.52 1age s VAL 247 Ca 0.11 0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 59.00 1age s VAL 247 Cb -0.08 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.55 1age s VAL 247 CO 0.05 0.02 0.57 -0.69 -3.33 0.00 0.00 175.10 171.72 1age s VAL 248 N 0.30 5.09 0.15 2.04 1.01 -1.26 -1.53 120.40 126.20 1age s VAL 248 Ca -0.02 1.11 0.08 0.00 0.00 0.00 0.00 61.98 63.15 1age s VAL 248 Cb -0.03 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1age s VAL 248 CO -0.01 0.20 -0.18 0.68 0.00 0.00 0.00 175.10 175.79 1age s VAL 249 N 1.34 1.76 0.35 2.92 -7.23 0.39 -4.94 120.40 114.99 1age s VAL 249 Ca 0.28 -1.84 -0.27 0.00 -1.81 0.00 0.00 61.98 58.34 1age s VAL 249 Cb -0.16 -1.77 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 1age s VAL 249 CO 0.11 -0.28 1.12 -2.84 -0.31 0.00 0.00 175.10 172.90 1age s PRO 250 N -2.65 4.33 0.32 4.82 0.02 -1.26 -1.06 135.00 139.53 1age s PRO 250 Ca 0.14 1.78 -0.29 0.00 0.02 0.00 0.00 61.00 62.64 1age s PRO 250 Cb -0.06 -2.88 -0.11 0.00 0.02 0.00 0.00 34.50 31.47 1age s PRO 250 CO 0.06 -0.06 1.56 0.43 -0.33 0.00 0.00 177.00 178.66 1age n SER 251 N 0.53 3.81 0.00 2.53 7.64 -0.25 -2.04 113.62 125.85 1age n SER 251 Ca 0.02 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1age n SER 251 Cb 0.46 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1age n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1age n GLY 252 N 1.65 1.57 0.87 0.23 0.00 -1.26 -4.88 105.19 103.37 1age n GLY 252 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1age n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1age n GLU 253 N -2.00 2.85 -0.21 1.61 1.02 -0.86 -4.66 120.64 118.38 1age n GLU 253 Ca 0.00 -2.26 0.14 0.00 -0.02 0.00 0.00 57.16 55.02 1age n GLU 253 Cb 0.00 -1.38 0.44 0.00 -0.02 0.00 0.00 31.44 30.48 1age n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1age h GLU 254 N 2.72 0.54 0.00 3.49 3.07 -1.90 -1.36 114.58 121.14 1age h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1age h GLU 254 Cb 0.83 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1age h GLU 254 CO 0.01 0.36 0.00 1.04 -1.40 0.00 0.00 179.01 179.01 1age n GLN 255 N -4.52 0.16 0.00 2.33 1.13 -1.26 -1.92 117.38 113.31 1age n GLN 255 Ca 0.16 0.15 0.14 0.00 -1.94 0.00 0.00 57.00 55.51 1age n GLN 255 Cb 0.49 -1.50 0.62 0.00 0.11 0.00 0.00 30.24 29.96 1age n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1age n ARG 256 N -1.36 1.11 -4.60 -1.09 1.74 -0.51 -4.85 116.66 107.09 1age n ARG 256 Ca 0.07 -0.48 -0.34 0.00 -0.77 0.00 0.00 57.85 56.34 1age n ARG 256 Cb 0.16 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.00 1age n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1age s TYR 257 N -2.22 2.94 -0.02 -1.55 1.51 -0.81 -0.69 117.35 116.51 1age s TYR 257 Ca 0.35 -0.09 0.02 0.00 -1.01 0.00 0.00 57.07 56.35 1age s TYR 257 Cb 0.21 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 1age s TYR 257 CO 0.41 0.22 -0.09 0.95 -1.11 0.00 0.00 175.55 175.94 1age s THR 258 N -0.52 0.74 -0.18 -0.71 -4.23 -0.48 -4.65 115.64 105.61 1age s THR 258 Ca 0.08 -0.35 -0.10 0.00 -1.18 0.00 0.00 61.69 60.14 1age s THR 258 Cb -0.12 -0.65 -0.05 0.00 1.34 0.00 0.00 72.50 73.02 1age s THR 258 CO 0.02 0.23 0.15 0.00 -0.54 0.00 0.00 174.62 174.47 1age s HIS 260 N 0.01 2.76 -0.14 0.00 3.76 0.64 -0.22 115.29 122.11 1age s HIS 260 Ca 0.10 -0.96 0.01 0.00 -0.15 0.00 0.00 55.06 54.06 1age s HIS 260 Cb -0.11 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 1age s HIS 260 CO 0.00 -0.42 -0.16 0.08 -0.85 0.00 0.00 174.74 173.40 1age s VAL 261 N 0.67 2.69 -0.11 -0.90 1.01 -0.51 -1.71 120.40 121.54 1age s VAL 261 Ca -0.08 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1age s VAL 261 Cb -0.16 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1age s VAL 261 CO 0.02 0.53 -0.20 -1.10 0.00 0.00 0.00 175.10 174.34 1age s GLN 262 N 0.57 2.73 -0.14 2.72 -0.21 -0.45 -1.46 119.66 123.43 1age s GLN 262 Ca -0.10 -0.76 -0.20 0.00 0.02 0.00 0.00 55.36 54.32 1age s GLN 262 Cb -0.16 -2.16 0.05 0.00 1.00 0.00 0.00 33.01 31.74 1age s GLN 262 CO 0.04 0.06 0.52 -1.58 -2.12 0.00 0.00 175.29 172.20 1age s HIS 263 N 0.64 -0.53 -0.74 0.91 2.46 -1.26 -1.91 115.29 114.86 1age s HIS 263 Ca -0.13 1.18 0.15 0.00 0.47 0.00 0.00 55.06 56.73 1age s HIS 263 Cb -0.16 0.22 0.68 0.00 -0.13 0.00 0.00 32.58 33.18 1age s HIS 263 CO 0.03 -0.35 1.47 -0.85 -2.47 0.00 0.00 174.74 172.57 1age n GLU 264 N 2.23 0.08 -0.18 2.88 0.28 -1.26 -1.65 120.64 123.01 1age n GLU 264 Ca -0.16 0.40 0.07 0.00 -0.16 0.00 0.00 57.16 57.32 1age n GLU 264 Cb 0.56 -1.67 0.21 0.00 1.43 0.00 0.00 31.44 31.98 1age n GLU 264 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1age n GLY 265 N -0.48 0.76 3.35 -1.84 0.00 -1.26 -4.81 105.19 100.90 1age n GLY 265 Ca 0.02 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1age n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1age s LEU 266 N -1.12 2.58 0.09 0.99 1.43 -0.66 -4.18 118.68 117.82 1age s LEU 266 Ca 0.28 -0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 52.81 1age s LEU 266 Cb 0.15 -1.56 -0.10 0.00 0.03 0.00 0.00 46.19 44.71 1age s LEU 266 CO 0.20 0.18 1.65 1.55 0.23 0.00 0.00 176.35 180.16 1age h PRO 267 N 6.57 0.24 -5.17 1.29 0.13 -1.87 -3.44 132.00 129.75 1age h PRO 267 Ca -0.26 -0.04 -0.41 0.00 -0.87 0.00 0.00 66.00 64.42 1age h PRO 267 Cb 1.21 -0.04 -0.23 0.00 0.13 0.00 0.00 31.00 32.07 1age h PRO 267 CO 0.53 0.30 -0.78 0.15 -0.23 0.00 0.00 178.00 177.97 1age s LYS 268 N -5.66 0.82 0.69 0.86 1.02 -1.26 -5.14 119.74 111.07 1age s LYS 268 Ca -0.14 -0.78 -0.16 0.00 0.02 0.00 0.00 55.97 54.91 1age s LYS 268 Cb 0.07 -0.79 0.01 0.00 -0.52 0.00 0.00 37.83 36.60 1age s LYS 268 CO 0.70 0.19 1.21 -2.14 -0.92 0.00 0.00 175.35 174.39 1age s PRO 269 N -1.32 2.41 0.20 -1.68 0.02 -1.26 -4.99 135.00 128.38 1age s PRO 269 Ca -0.01 1.79 0.03 0.00 0.02 0.00 0.00 61.00 62.84 1age s PRO 269 Cb -0.08 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 1age s PRO 269 CO 0.01 -1.64 0.33 -0.51 -0.33 0.00 0.00 177.00 174.87 1age s LEU 270 N -4.80 4.31 -0.07 -5.54 1.43 -0.53 -4.95 118.68 108.53 1age s LEU 270 Ca 0.76 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1age s LEU 270 Cb -0.30 -2.92 0.03 0.00 0.03 0.00 0.00 46.19 43.03 1age s LEU 270 CO 0.42 -0.02 0.02 -0.89 0.23 0.00 0.00 176.35 176.11 1age s THR 271 N -1.88 0.21 0.19 5.49 2.01 -1.25 -1.43 115.64 118.99 1age s THR 271 Ca 0.35 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.61 1age s THR 271 Cb -0.10 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 1age s THR 271 CO 0.29 0.20 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.50 1age s LEU 272 N 2.04 2.53 0.10 4.42 1.02 0.69 -4.94 118.68 124.54 1age s LEU 272 Ca 0.05 -0.98 -0.07 0.00 0.02 0.00 0.00 54.13 53.14 1age s LEU 272 Cb -0.12 -0.70 -0.01 0.00 0.02 0.00 0.00 46.19 45.37 1age s LEU 272 CO -0.05 -0.14 0.17 0.00 0.02 0.00 0.00 176.35 176.36 1age s ARG 273 N -3.42 0.88 0.24 1.70 1.70 -1.26 0.09 118.95 118.88 1age s ARG 273 Ca 0.21 -1.06 -0.31 0.00 -0.47 0.00 0.00 55.73 54.10 1age s ARG 273 Cb -0.02 0.33 -0.11 0.00 -0.57 0.00 0.00 34.95 34.58 1age s ARG 273 CO 0.07 -0.28 1.56 -0.46 -1.08 0.00 0.00 175.30 175.10 1age s TRP 274 N -3.90 2.91 -0.46 5.89 -0.00 -1.26 -4.74 118.94 117.39 1age s TRP 274 Ca 0.09 0.78 -0.01 0.00 -0.00 0.00 0.00 56.10 56.95 1age s TRP 274 Cb 0.05 -3.97 0.12 0.00 -0.00 0.00 0.00 33.47 29.67 1age s TRP 274 CO -0.08 -3.35 0.24 -1.21 -0.00 0.00 0.00 176.95 172.55 1age s GLU 275 N 0.05 2.06 0.00 5.86 0.41 -1.26 -4.96 118.70 120.86 1age s GLU 275 Ca 0.65 -2.06 0.00 0.00 -0.41 0.00 0.00 54.97 53.14 1age s GLU 275 Cb -0.45 -3.55 0.00 0.00 -1.78 0.00 0.00 34.13 28.35 1age s GLU 275 CO 0.41 -1.08 0.26 -2.30 -0.49 0.00 0.00 175.26 172.07