#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h26 n HIS -10 N 0.00 0.36 -3.99 4.41 -0.00 -1.26 -4.96 115.22 109.78 3h26 n HIS -10 Ca 0.00 0.11 -0.13 0.00 -0.00 0.00 0.00 57.72 57.70 3h26 n HIS -10 Cb 0.00 -0.51 -0.02 0.00 -0.00 0.00 0.00 29.99 29.46 3h26 n HIS -10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3h26 s SER -9 N -3.90 0.63 -0.09 0.41 1.04 -1.26 -5.03 113.70 105.49 3h26 s SER -9 Ca 0.06 -1.38 0.11 0.00 0.48 0.00 0.00 55.95 55.22 3h26 s SER -9 Cb 0.14 0.73 -0.16 0.00 0.10 0.00 0.00 66.02 66.84 3h26 s SER -9 CO 0.74 -1.44 0.09 -1.54 0.98 0.00 0.00 173.24 172.07 3h26 n SER -8 N -1.44 2.10 0.00 7.02 3.41 -1.26 -5.10 113.62 118.35 3h26 n SER -8 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3h26 n SER -8 Cb 0.61 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 3h26 n SER -8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h26 n GLY -7 N 2.16 0.41 3.72 5.00 0.00 -1.26 -4.97 105.19 110.25 3h26 n GLY -7 Ca -0.15 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3h26 n GLY -7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h26 s LEU -6 N 0.00 4.39 -0.10 0.99 1.43 -1.26 -1.48 118.68 122.66 3h26 s LEU -6 Ca 0.00 1.89 -0.08 0.00 -1.03 0.00 0.00 54.13 54.91 3h26 s LEU -6 Cb 0.00 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.67 3h26 s LEU -6 CO 0.00 -0.34 0.25 -0.69 0.23 0.00 0.00 176.35 175.80 3h26 s VAL -5 N 0.82 -0.01 -0.69 -1.59 1.01 0.27 -4.96 120.40 115.25 3h26 s VAL -5 Ca 0.55 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 3h26 s VAL -5 Cb -0.26 -0.37 -0.19 0.00 0.00 0.00 0.00 36.38 35.56 3h26 s VAL -5 CO 0.29 0.02 1.69 -2.65 0.00 0.00 0.00 175.10 174.45 3h26 n PRO -4 N 3.35 0.00 -3.35 2.72 -0.02 -1.26 0.55 135.00 136.98 3h26 n PRO -4 Ca -0.17 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.86 3h26 n PRO -4 Cb 0.57 -0.88 -0.07 0.00 -0.02 0.00 0.00 33.50 33.10 3h26 n PRO -4 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3h26 s MET 1 N 5.58 2.99 0.05 -0.52 1.00 -1.26 -5.17 119.30 121.97 3h26 s MET 1 Ca 0.93 -1.46 0.05 0.00 0.00 0.00 0.00 55.69 55.21 3h26 s MET 1 Cb -0.74 -4.19 -0.02 0.00 0.00 0.00 0.00 34.83 29.88 3h26 s MET 1 CO 0.36 -1.14 -0.14 0.15 0.00 0.00 0.00 175.02 174.25 3h26 s LYS 2 N 1.67 0.88 0.31 2.03 3.01 0.19 -5.12 119.74 122.71 3h26 s LYS 2 Ca 0.04 -0.82 -0.29 0.00 -1.01 0.00 0.00 55.97 53.89 3h26 s LYS 2 Cb -0.26 -0.88 -0.10 0.00 -1.01 0.00 0.00 37.83 35.58 3h26 s LYS 2 CO 0.06 0.21 1.25 -1.58 0.51 0.00 0.00 175.35 175.79 3h26 s TRP 3 N -1.00 3.22 -0.61 3.18 0.52 -1.26 -0.56 118.94 122.43 3h26 s TRP 3 Ca 0.00 1.48 0.16 0.00 0.02 0.00 0.00 56.10 57.76 3h26 s TRP 3 Cb -0.09 -3.56 0.71 0.00 -1.15 0.00 0.00 33.47 29.38 3h26 s TRP 3 CO 0.02 -1.49 1.62 -0.40 0.02 0.00 0.00 176.95 176.72 3h26 n ASP 4 N 1.04 4.90 -3.91 2.95 3.85 -0.55 -4.92 116.55 119.92 3h26 n ASP 4 Ca 0.00 -2.71 -0.09 0.00 -0.71 0.00 0.00 54.79 51.28 3h26 n ASP 4 Cb 0.43 -0.60 -0.09 0.00 -1.35 0.00 0.00 41.12 39.52 3h26 n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h26 s TYR 5 N -2.33 0.19 0.35 2.11 -0.85 -1.26 -4.90 117.35 110.65 3h26 s TYR 5 Ca 0.50 -0.54 0.03 0.00 -0.52 0.00 0.00 57.07 56.54 3h26 s TYR 5 Cb 0.35 -0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.56 3h26 s TYR 5 CO 0.18 -0.44 0.52 -0.51 -1.52 0.00 0.00 175.55 173.79 3h26 s ASP 6 N -2.43 6.09 -0.64 -0.18 1.01 -1.26 -4.70 116.67 114.57 3h26 s ASP 6 Ca -0.01 0.17 -0.24 0.00 0.71 0.00 0.00 52.55 53.19 3h26 s ASP 6 Cb 0.02 -1.67 0.06 0.00 1.01 0.00 0.00 42.92 42.34 3h26 s ASP 6 CO -0.07 -0.39 1.00 -0.22 0.21 0.00 0.00 175.17 175.70 3h26 s LEU 7 N -4.28 4.14 -0.16 1.23 1.98 -0.16 -4.93 118.68 116.50 3h26 s LEU 7 Ca 0.42 -0.73 -0.29 0.00 -2.89 0.00 0.00 54.13 50.64 3h26 s LEU 7 Cb -0.10 -2.55 -0.00 0.00 0.66 0.00 0.00 46.19 44.20 3h26 s LEU 7 CO 0.34 -1.43 0.99 -0.13 -1.89 0.00 0.00 176.35 174.23 3h26 s ARG 8 N 4.26 4.34 -0.49 1.98 0.52 -1.26 -0.54 118.95 127.76 3h26 s ARG 8 Ca 0.26 1.33 0.07 0.00 -0.52 0.00 0.00 55.73 56.87 3h26 s ARG 8 Cb -0.14 -3.58 0.25 0.00 0.52 0.00 0.00 34.95 31.99 3h26 s ARG 8 CO 0.13 -0.44 0.62 0.00 0.02 0.00 0.00 175.30 175.63 3h26 n GLY 10 N 1.16 3.45 0.00 0.00 0.00 -1.26 -1.33 105.19 107.21 3h26 n GLY 10 Ca 0.25 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.39 3h26 n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h26 n GLU 11 N 11.87 0.09 -4.19 1.61 0.28 -1.26 -4.79 120.64 124.25 3h26 n GLU 11 Ca 0.00 0.01 -0.32 0.00 -0.16 0.00 0.00 57.16 56.69 3h26 n GLU 11 Cb 0.00 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.29 3h26 n GLU 11 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3h26 s TYR 12 N -2.91 3.12 -0.07 -1.84 1.51 -0.44 -5.11 117.35 111.61 3h26 s TYR 12 Ca 0.17 0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.32 3h26 s TYR 12 Cb 0.19 -1.65 0.02 0.00 -0.11 0.00 0.00 41.96 40.41 3h26 s TYR 12 CO 0.51 0.49 -0.07 0.99 -1.11 0.00 0.00 175.55 176.36 3h26 s THR 13 N -1.19 0.84 -0.30 -0.71 2.01 -1.26 -0.26 115.64 114.78 3h26 s THR 13 Ca 0.23 -0.25 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 3h26 s THR 13 Cb -0.12 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.55 3h26 s THR 13 CO 0.14 0.31 0.10 -0.76 -0.69 0.00 0.00 174.62 173.72 3h26 s LEU 14 N 1.17 3.90 -0.04 4.42 1.43 0.29 -4.96 118.68 124.90 3h26 s LEU 14 Ca -0.06 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.12 3h26 s LEU 14 Cb -0.14 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3h26 s LEU 14 CO -0.02 -0.18 0.96 0.21 0.23 0.00 0.00 176.35 177.54 3h26 s ASN 15 N 1.54 7.29 0.00 2.29 3.84 -1.26 -0.99 114.94 127.64 3h26 s ASN 15 Ca 0.03 1.56 0.27 0.00 0.21 0.00 0.00 52.86 54.93 3h26 s ASN 15 Cb -0.17 -2.55 0.75 0.00 -0.55 0.00 0.00 41.25 38.73 3h26 s ASN 15 CO 0.04 -0.30 1.57 0.18 -2.79 0.00 0.00 177.10 175.80 3h26 n LEU 16 N 4.23 2.01 -0.02 3.21 4.77 -1.26 -4.31 117.00 125.63 3h26 n LEU 16 Ca 0.06 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3h26 n LEU 16 Cb 0.50 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3h26 n LEU 16 CO 0.51 0.34 -0.68 0.59 -1.33 0.00 0.00 177.39 176.82 3h26 n ASN 17 N 0.57 3.00 0.08 -1.43 3.02 -1.26 -4.68 115.26 114.56 3h26 n ASN 17 Ca 0.17 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.51 3h26 n ASN 17 Cb 0.44 1.05 -0.12 0.00 -0.61 0.00 0.00 39.78 40.54 3h26 n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h26 h GLU 18 N 0.00 0.62 -3.34 3.52 4.11 -1.86 -3.47 114.58 114.16 3h26 h GLU 18 Ca -0.11 -0.79 -0.03 0.00 0.07 0.00 0.00 59.36 58.51 3h26 h GLU 18 Cb 0.95 0.25 -0.11 0.00 0.50 0.00 0.00 28.75 30.34 3h26 h GLU 18 CO 0.01 1.35 0.00 -1.59 0.07 0.00 0.00 179.01 178.85 3h26 s LYS 19 N -3.06 1.34 0.00 1.06 -2.85 -1.26 -4.94 119.74 110.04 3h26 s LYS 19 Ca -0.09 -0.86 -0.30 0.00 -1.00 0.00 0.00 55.97 53.71 3h26 s LYS 19 Cb 0.06 0.51 -0.06 0.00 -2.06 0.00 0.00 37.83 36.28 3h26 s LYS 19 CO 0.93 -0.56 1.45 0.99 0.10 0.00 0.00 175.35 178.25 3h26 s THR 20 N -3.87 3.62 0.04 3.79 2.01 -1.26 -4.81 115.64 115.15 3h26 s THR 20 Ca 0.09 1.00 -0.26 0.00 0.31 0.00 0.00 61.69 62.83 3h26 s THR 20 Cb -0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 3h26 s THR 20 CO -0.04 -0.01 0.81 -0.76 -0.69 0.00 0.00 174.62 173.94 3h26 s LEU 21 N 2.54 4.43 -0.27 4.42 1.43 -0.30 -4.95 118.68 125.98 3h26 s LEU 21 Ca 0.65 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.15 3h26 s LEU 21 Cb -0.32 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 3h26 s LEU 21 CO 0.27 -0.04 0.18 -0.63 0.23 0.00 0.00 176.35 176.35 3h26 s ILE 22 N 0.17 5.24 -0.36 -0.59 -1.09 -1.26 -1.63 121.20 121.68 3h26 s ILE 22 Ca 0.41 0.14 -0.13 0.00 -2.23 0.00 0.00 60.65 58.84 3h26 s ILE 22 Cb -0.21 -3.49 -0.00 0.00 -1.58 0.00 0.00 42.46 37.18 3h26 s ILE 22 CO 0.24 0.27 0.25 -0.32 -1.23 0.00 0.00 174.94 174.15 3h26 s MET 23 N 1.68 3.28 -0.06 2.79 -2.45 0.11 -0.16 119.30 124.49 3h26 s MET 23 Ca 0.07 -0.79 -0.25 0.00 -1.25 0.00 0.00 55.69 53.47 3h26 s MET 23 Cb -0.16 -3.84 -0.03 0.00 1.25 0.00 0.00 34.83 32.05 3h26 s MET 23 CO 0.10 -0.55 0.76 0.20 1.05 0.00 0.00 175.02 176.57 3h26 s GLY 24 N 1.69 2.65 -0.42 2.11 0.00 0.31 -0.33 107.32 113.33 3h26 s GLY 24 Ca 0.05 0.20 -0.28 0.00 0.00 0.00 0.00 44.72 44.70 3h26 s GLY 24 CO 0.10 1.29 1.03 -0.42 0.00 0.00 0.00 173.10 175.10 3h26 s ILE 25 N 0.89 4.40 0.10 0.90 1.01 -0.40 -0.79 121.20 127.32 3h26 s ILE 25 Ca 0.40 1.22 -0.31 0.00 0.00 0.00 0.00 60.65 61.96 3h26 s ILE 25 Cb -0.18 -4.47 -0.07 0.00 0.01 0.00 0.00 42.46 37.74 3h26 s ILE 25 CO 0.20 -0.76 1.34 -0.22 0.00 0.00 0.00 174.94 175.49 3h26 s LEU 26 N 3.93 4.37 -0.28 2.97 2.96 -0.41 -4.84 118.68 127.39 3h26 s LEU 26 Ca 0.43 2.24 -0.29 0.00 -0.22 0.00 0.00 54.13 56.30 3h26 s LEU 26 Cb -0.10 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 3h26 s LEU 26 CO 0.24 -0.60 1.57 0.21 -1.32 0.00 0.00 176.35 176.45 3h26 s ASN 27 N 1.09 6.33 -0.17 3.68 2.47 -1.26 -4.74 114.94 122.33 3h26 s ASN 27 Ca 0.63 1.38 0.02 0.00 0.42 0.00 0.00 52.86 55.31 3h26 s ASN 27 Cb -0.35 -2.53 -0.22 0.00 -1.45 0.00 0.00 41.25 36.70 3h26 s ASN 27 CO 0.30 -1.34 0.15 0.52 -3.72 0.00 0.00 177.10 173.01 3h26 n VAL 28 N 6.66 1.61 -3.52 -5.21 0.31 -1.26 -4.71 118.33 112.21 3h26 n VAL 28 Ca 0.19 -0.66 -0.20 0.00 -0.01 0.00 0.00 64.34 63.65 3h26 n VAL 28 Cb 0.46 -1.39 0.06 0.00 -0.91 0.00 0.00 33.84 32.05 3h26 n VAL 28 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3h26 n THR 29 N -3.27 -6.28 -2.15 2.52 -1.04 -1.26 -5.04 114.28 97.76 3h26 n THR 29 Ca -0.36 -0.80 -0.43 0.00 -2.04 0.00 0.00 64.05 60.43 3h26 n THR 29 Cb 1.04 -4.87 -0.02 0.00 -1.82 0.00 0.00 70.33 64.66 3h26 n THR 29 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3h26 s PRO 30 N -5.43 3.80 0.00 -2.82 0.02 -1.26 -5.10 135.00 124.21 3h26 s PRO 30 Ca 0.20 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.82 3h26 s PRO 30 Cb -0.04 -4.02 0.00 0.00 0.02 0.00 0.00 34.50 30.46 3h26 s PRO 30 CO 0.78 -1.28 0.00 -0.40 -0.33 0.00 0.00 177.00 175.77 3h26 n ASP 35 N 8.37 0.00 0.00 2.53 5.75 -1.26 -5.05 116.55 126.90 3h26 n ASP 35 Ca 0.18 -0.64 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 3h26 n ASP 35 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 3h26 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h26 n GLY 36 N 0.00 -0.78 2.29 6.12 0.00 -1.26 -4.31 105.19 107.26 3h26 n GLY 36 Ca 0.00 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 3h26 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h26 n GLY 37 N 0.00 5.37 3.53 -0.02 0.00 -1.26 -4.64 105.19 108.17 3h26 n GLY 37 Ca 0.00 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 3h26 n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h26 n SER 38 N -0.99 0.15 -0.25 1.61 3.41 -1.26 -4.77 113.62 111.52 3h26 n SER 38 Ca 0.62 0.99 0.06 0.00 -0.26 0.00 0.00 58.87 60.28 3h26 n SER 38 Cb 1.02 -1.22 0.19 0.00 -0.26 0.00 0.00 64.21 63.95 3h26 n SER 38 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3h26 h TYR 39 N 1.20 0.40 -0.06 7.33 3.20 -1.97 -2.92 116.97 124.15 3h26 h TYR 39 Ca -0.41 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.51 3h26 h TYR 39 Cb 1.37 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 3h26 h TYR 39 CO 0.40 -0.02 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.95 3h26 h ASN 40 N 0.35 -0.12 0.71 -2.11 2.35 -1.99 -0.52 115.58 114.25 3h26 h ASN 40 Ca 0.42 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 56.17 3h26 h ASN 40 Cb 0.70 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 3h26 h ASN 40 CO -0.47 -0.05 -0.49 -0.33 -1.65 0.00 0.00 177.43 174.44 3h26 h GLU 41 N -0.04 -1.10 -0.38 0.81 5.08 -1.88 -2.04 114.58 115.02 3h26 h GLU 41 Ca 0.04 0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 3h26 h GLU 41 Cb 0.10 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3h26 h GLU 41 CO -0.08 -0.74 -0.37 0.28 -1.00 0.00 0.00 179.01 177.10 3h26 h VAL 42 N -1.15 1.27 -0.74 3.13 2.07 -1.43 0.11 116.25 119.51 3h26 h VAL 42 Ca -0.09 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 3h26 h VAL 42 Cb 0.94 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3h26 h VAL 42 CO 0.06 0.52 0.46 -0.78 0.02 0.00 0.00 177.57 177.84 3h26 h ASP 43 N 0.75 0.88 -0.11 0.57 3.58 -1.19 -0.29 116.42 120.63 3h26 h ASP 43 Ca 0.07 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.39 3h26 h ASP 43 Cb 0.96 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 3h26 h ASP 43 CO 0.09 0.68 -0.14 0.00 -2.88 0.00 0.00 179.24 176.99 3h26 h ALA 44 N 1.24 1.26 -0.27 -0.78 0.00 -0.57 -0.92 119.26 119.22 3h26 h ALA 44 Ca 0.27 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3h26 h ALA 44 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3h26 h ALA 44 CO -0.05 0.49 -0.54 0.00 0.00 0.00 0.00 179.25 179.15 3h26 h ALA 45 N 1.43 0.43 0.17 0.00 0.00 -0.42 -2.59 119.26 118.29 3h26 h ALA 45 Ca 0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3h26 h ALA 45 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3h26 h ALA 45 CO 0.03 0.64 -0.08 0.28 0.00 0.00 0.00 179.25 180.12 3h26 h VAL 46 N 0.62 0.93 -0.66 0.00 2.07 -0.85 0.08 116.25 118.44 3h26 h VAL 46 Ca 0.01 -0.48 0.13 0.00 0.82 0.00 0.00 66.70 67.18 3h26 h VAL 46 Cb 1.15 1.23 -0.10 0.00 -1.52 0.00 0.00 31.29 32.05 3h26 h VAL 46 CO 0.12 0.11 0.15 0.03 0.02 0.00 0.00 177.57 178.00 3h26 h ARG 47 N -0.46 0.26 -0.29 1.57 3.08 -1.24 0.22 114.38 117.52 3h26 h ARG 47 Ca -0.02 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3h26 h ARG 47 Cb 0.36 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3h26 h ARG 47 CO 0.04 0.17 -0.13 1.25 -1.07 0.00 0.00 179.97 180.22 3h26 h HIS 48 N 0.27 0.70 -0.93 3.04 2.76 -1.37 -0.58 115.15 119.03 3h26 h HIS 48 Ca 0.36 -0.17 0.04 0.00 -2.20 0.00 0.00 60.37 58.39 3h26 h HIS 48 Cb 0.56 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.31 3h26 h HIS 48 CO -0.26 0.84 0.61 0.00 -1.30 0.00 0.00 177.93 177.83 3h26 h ALA 49 N 0.76 1.40 -0.54 5.26 0.00 -0.41 -1.02 119.26 124.71 3h26 h ALA 49 Ca 0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3h26 h ALA 49 Cb 0.65 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3h26 h ALA 49 CO 0.04 0.51 0.11 0.87 0.00 0.00 0.00 179.25 180.78 3h26 h LYS 50 N 1.18 0.84 -0.13 0.00 1.57 -0.30 -1.94 116.57 117.78 3h26 h LYS 50 Ca 0.37 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3h26 h LYS 50 Cb 0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3h26 h LYS 50 CO -0.11 0.77 -0.05 1.49 -0.57 0.00 0.00 179.45 180.97 3h26 h GLU 51 N 0.80 0.27 -0.63 3.15 4.81 -0.10 -1.04 114.58 121.85 3h26 h GLU 51 Ca 0.17 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3h26 h GLU 51 Cb 0.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3h26 h GLU 51 CO 0.00 0.59 0.07 0.52 -0.73 0.00 0.00 179.01 179.47 3h26 h MET 52 N -0.06 1.05 -0.25 1.92 2.86 -1.22 0.37 114.93 119.60 3h26 h MET 52 Ca 0.03 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3h26 h MET 52 Cb 0.51 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 3h26 h MET 52 CO 0.02 0.98 0.04 -0.09 1.06 0.00 0.00 176.91 178.92 3h26 h ARG 53 N 0.98 0.13 -0.14 1.72 1.12 -1.29 -0.30 114.38 116.61 3h26 h ARG 53 Ca 0.19 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.06 3h26 h ARG 53 Cb 0.47 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.39 3h26 h ARG 53 CO 0.02 0.09 0.09 -0.44 -3.11 0.00 0.00 179.97 176.62 3h26 h ASP 54 N 0.14 0.11 0.54 -3.80 3.32 -0.78 -3.01 116.42 112.94 3h26 h ASP 54 Ca 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3h26 h ASP 54 Cb 0.12 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3h26 h ASP 54 CO -0.15 0.08 -0.32 -0.62 -1.72 0.00 0.00 179.24 176.50 3h26 n GLU 55 N -4.51 0.20 0.00 3.56 -0.58 0.08 -4.92 120.64 114.47 3h26 n GLU 55 Ca -0.01 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3h26 n GLU 55 Cb 0.13 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 3h26 n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h26 n GLY 56 N 1.45 1.55 3.78 0.62 0.00 -0.47 -4.00 105.19 108.12 3h26 n GLY 56 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 3h26 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h26 s ALA 57 N -1.83 3.03 -0.03 4.61 0.00 -0.58 -4.70 121.76 122.26 3h26 s ALA 57 Ca 0.00 0.72 0.08 0.00 0.00 0.00 0.00 51.96 52.76 3h26 s ALA 57 Cb 0.00 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.71 3h26 s ALA 57 CO 0.00 -0.29 0.15 0.72 0.00 0.00 0.00 175.76 176.34 3h26 n HIS 58 N -0.30 0.00 -4.02 0.00 8.25 0.77 -4.72 115.22 115.21 3h26 n HIS 58 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 3h26 n HIS 58 Cb 0.50 -0.24 -0.12 0.00 1.12 0.00 0.00 29.99 31.25 3h26 n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h26 s ILE 59 N -2.51 0.29 -0.20 1.59 1.01 -0.82 -4.14 121.20 116.42 3h26 s ILE 59 Ca -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 3h26 s ILE 59 Cb 0.05 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 3h26 s ILE 59 CO 0.35 -0.33 -0.07 -0.63 0.00 0.00 0.00 174.94 174.27 3h26 s ILE 60 N -1.11 3.28 -0.27 2.92 -1.09 -0.78 -0.53 121.20 123.62 3h26 s ILE 60 Ca -0.10 -0.54 -0.13 0.00 -2.23 0.00 0.00 60.65 57.66 3h26 s ILE 60 Cb -0.08 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 3h26 s ILE 60 CO -0.00 0.45 0.27 -0.62 -1.23 0.00 0.00 174.94 173.81 3h26 s ASP 61 N 1.20 6.14 -0.22 3.58 -1.08 0.03 -0.36 116.67 125.97 3h26 s ASP 61 Ca 0.02 0.14 0.01 0.00 -0.52 0.00 0.00 52.55 52.20 3h26 s ASP 61 Cb -0.14 -2.16 0.03 0.00 -1.46 0.00 0.00 42.92 39.18 3h26 s ASP 61 CO -0.02 -0.10 -0.14 -0.63 0.52 0.00 0.00 175.17 174.79 3h26 s ILE 62 N 1.85 2.29 -0.20 4.11 1.01 0.07 -1.28 121.20 129.04 3h26 s ILE 62 Ca 0.11 -1.12 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 3h26 s ILE 62 Cb -0.16 -2.11 0.09 0.00 0.01 0.00 0.00 42.46 40.29 3h26 s ILE 62 CO 0.10 0.32 0.19 -0.83 0.00 0.00 0.00 174.94 174.72 3h26 s GLY 63 N 1.25 0.10 0.06 6.18 0.00 -1.26 -0.97 107.32 112.68 3h26 s GLY 63 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 44.72 44.46 3h26 s GLY 63 CO -0.09 2.08 1.60 -0.32 0.00 0.00 0.00 173.10 176.37 3h26 s GLY 64 N 2.27 1.61 0.00 0.20 0.00 -1.26 -4.92 107.32 105.23 3h26 s GLY 64 Ca 0.06 1.16 0.00 0.00 0.00 0.00 0.00 44.72 45.94 3h26 s GLY 64 CO -0.14 2.81 0.00 -1.84 0.00 0.00 0.00 173.10 173.93 3h26 n GLU 65 N 5.49 0.00 -0.63 2.90 0.28 -1.26 -5.05 120.64 122.37 3h26 n GLU 65 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 3h26 n GLU 65 Cb 0.41 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.28 3h26 n GLU 65 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3h26 n VAL 74 N 0.00 -1.57 -3.47 3.84 0.31 -1.26 -4.99 118.33 111.19 3h26 n VAL 74 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 3h26 n VAL 74 Cb 0.00 -2.05 0.02 0.00 -0.91 0.00 0.00 33.84 30.90 3h26 n VAL 74 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3h26 n SER 75 N 0.00 2.02 -0.31 4.52 3.41 -1.26 -4.85 113.62 117.16 3h26 n SER 75 Ca 0.00 -2.32 0.05 0.00 -0.26 0.00 0.00 58.87 56.34 3h26 n SER 75 Cb 0.00 -0.16 0.11 0.00 -0.26 0.00 0.00 64.21 63.91 3h26 n SER 75 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h26 n VAL 76 N -1.68 -0.36 -0.10 -3.33 0.31 -1.26 -1.07 118.33 110.83 3h26 n VAL 76 Ca 0.04 1.94 -0.06 0.00 -0.01 0.00 0.00 64.34 66.25 3h26 n VAL 76 Cb 0.47 -2.67 0.01 0.00 -0.91 0.00 0.00 33.84 30.73 3h26 n VAL 76 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3h26 h GLU 77 N 0.00 -0.09 0.00 5.55 4.81 -2.01 -2.35 114.58 120.50 3h26 h GLU 77 Ca 0.40 0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.40 3h26 h GLU 77 Cb 0.61 0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.03 3h26 h GLU 77 CO -0.87 -0.06 -0.93 0.93 -0.73 0.00 0.00 179.01 177.35 3h26 h GLU 78 N -0.09 0.63 -0.66 1.92 3.07 -1.60 -3.19 114.58 114.65 3h26 h GLU 78 Ca 0.18 -0.68 0.09 0.00 -0.50 0.00 0.00 59.36 58.46 3h26 h GLU 78 Cb 0.37 0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.43 3h26 h GLU 78 CO -0.42 1.27 0.44 1.49 -1.40 0.00 0.00 179.01 180.39 3h26 h GLU 79 N 0.26 0.51 -0.17 2.33 4.81 -0.90 -0.15 114.58 121.26 3h26 h GLU 79 Ca -0.12 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 3h26 h GLU 79 Cb 1.60 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.86 3h26 h GLU 79 CO 0.18 0.34 -0.08 0.82 -0.73 0.00 0.00 179.01 179.54 3h26 h ILE 80 N 0.52 1.31 -0.82 2.32 2.04 -1.52 -0.97 117.51 120.39 3h26 h ILE 80 Ca 0.30 -1.13 0.15 0.00 1.00 0.00 0.00 64.86 65.18 3h26 h ILE 80 Cb 0.49 1.69 -0.09 0.00 -0.74 0.00 0.00 36.82 38.16 3h26 h ILE 80 CO -0.10 0.33 0.40 0.11 0.00 0.00 0.00 178.15 178.90 3h26 h LYS 81 N 0.04 0.55 -0.09 2.37 1.57 -1.07 0.05 116.57 119.99 3h26 h LYS 81 Ca 0.04 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3h26 h LYS 81 Cb 0.56 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3h26 h LYS 81 CO 0.02 0.37 -0.21 0.00 -0.57 0.00 0.00 179.45 179.06 3h26 h ARG 82 N 0.57 0.30 0.16 3.15 -0.00 -1.14 -3.40 114.38 114.02 3h26 h ARG 82 Ca 0.45 -0.20 -0.33 0.00 -0.50 0.00 0.00 59.98 59.40 3h26 h ARG 82 Cb 0.65 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.65 3h26 h ARG 82 CO -0.37 0.81 -1.66 -0.24 0.00 0.00 0.00 179.97 178.51 3h26 h VAL 83 N -0.17 1.03 0.35 2.04 3.04 -0.58 -3.38 116.25 118.59 3h26 h VAL 83 Ca -0.00 -2.64 -0.02 0.00 -1.01 0.00 0.00 66.70 63.04 3h26 h VAL 83 Cb 0.81 2.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.86 3h26 h VAL 83 CO 0.05 0.83 -0.17 0.58 -1.01 0.00 0.00 177.57 177.85 3h26 h VAL 84 N 0.09 0.66 -1.04 1.51 2.07 -1.22 -2.24 116.25 116.09 3h26 h VAL 84 Ca -0.30 -0.18 0.28 0.00 0.82 0.00 0.00 66.70 67.32 3h26 h VAL 84 Cb 2.07 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 32.53 3h26 h VAL 84 CO 0.17 0.04 0.71 -0.65 0.02 0.00 0.00 177.57 177.86 3h26 h PRO 85 N -0.57 0.20 -0.34 1.57 0.11 -1.77 0.12 132.00 131.32 3h26 h PRO 85 Ca -0.05 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 3h26 h PRO 85 Cb 0.42 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3h26 h PRO 85 CO 0.08 0.14 0.07 0.52 -0.21 0.00 0.00 178.00 178.60 3h26 h MET 86 N 0.21 0.55 0.04 1.05 2.86 -1.60 -1.74 114.93 116.29 3h26 h MET 86 Ca 0.54 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 58.04 3h26 h MET 86 Cb 1.72 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.31 3h26 h MET 86 CO -0.15 0.61 -0.02 0.82 1.06 0.00 0.00 176.91 179.23 3h26 h ILE 87 N 0.39 1.20 -0.51 -1.22 2.04 -0.30 -0.30 117.51 118.81 3h26 h ILE 87 Ca 0.10 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 65.27 3h26 h ILE 87 Cb 0.32 1.72 -0.10 0.00 -0.74 0.00 0.00 36.82 38.02 3h26 h ILE 87 CO 0.00 0.20 -0.32 1.56 0.00 0.00 0.00 178.15 179.59 3h26 h GLN 88 N -0.41 -0.18 -0.29 2.37 4.20 -1.08 -0.77 115.11 118.95 3h26 h GLN 88 Ca -0.01 0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 3h26 h GLN 88 Cb 0.37 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 3h26 h GLN 88 CO 0.01 -0.12 -0.36 0.00 -0.67 0.00 0.00 178.83 177.68 3h26 h ALA 89 N 0.93 0.44 -0.14 3.87 0.00 -1.28 -2.30 119.26 120.78 3h26 h ALA 89 Ca 0.21 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3h26 h ALA 89 Cb 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3h26 h ALA 89 CO -0.62 0.51 -0.14 0.28 0.00 0.00 0.00 179.25 179.28 3h26 h VAL 90 N 0.51 1.35 -0.61 0.00 2.07 -0.78 -2.45 116.25 116.34 3h26 h VAL 90 Ca 0.04 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 3h26 h VAL 90 Cb 0.95 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 3h26 h VAL 90 CO 0.09 0.38 0.36 0.77 0.02 0.00 0.00 177.57 179.19 3h26 h SER 91 N -0.03 0.74 -0.05 0.57 4.64 -1.23 0.69 113.55 118.87 3h26 h SER 91 Ca 0.02 -0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3h26 h SER 91 Cb 0.67 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3h26 h SER 91 CO 0.04 0.59 0.04 0.50 -0.87 0.00 0.00 176.83 177.12 3h26 h LYS 92 N 0.83 0.00 0.00 4.77 3.64 -1.40 -3.32 116.57 121.08 3h26 h LYS 92 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3h26 h LYS 92 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3h26 h LYS 92 CO -0.04 0.00 -0.99 0.39 -2.27 0.00 0.00 179.45 176.54 3h26 n GLU 93 N -4.50 0.71 -4.01 1.90 1.02 -0.91 -4.93 120.64 109.93 3h26 n GLU 93 Ca -0.02 -0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 3h26 n GLU 93 Cb 0.14 -1.00 -0.15 0.00 -0.02 0.00 0.00 31.44 30.41 3h26 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h26 s VAL 94 N -2.04 1.85 -1.16 2.62 1.01 0.24 -5.02 120.40 117.90 3h26 s VAL 94 Ca -0.01 -1.42 -0.21 0.00 0.00 0.00 0.00 61.98 60.35 3h26 s VAL 94 Cb 0.01 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.40 3h26 s VAL 94 CO 0.08 -0.05 1.68 -0.54 0.00 0.00 0.00 175.10 176.28 3h26 s LYS 95 N 1.25 3.55 -0.01 2.72 1.02 -1.26 -4.45 119.74 122.56 3h26 s LYS 95 Ca -0.07 -1.46 -0.23 0.00 0.02 0.00 0.00 55.97 54.23 3h26 s LYS 95 Cb -0.19 -5.40 0.05 0.00 -0.52 0.00 0.00 37.83 31.76 3h26 s LYS 95 CO -0.06 -2.55 0.51 -0.51 -0.92 0.00 0.00 175.35 171.82 3h26 s LEU 96 N 5.80 0.03 0.31 3.17 1.43 -1.26 -5.15 118.68 123.01 3h26 s LEU 96 Ca 0.54 0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 53.71 3h26 s LEU 96 Cb 0.01 1.98 -0.10 0.00 0.03 0.00 0.00 46.19 48.11 3h26 s LEU 96 CO 0.02 -0.58 1.30 -2.16 0.23 0.00 0.00 176.35 175.16 3h26 s PRO 97 N -1.58 4.37 -0.12 1.29 0.04 -1.26 -4.89 135.00 132.86 3h26 s PRO 97 Ca -0.10 2.18 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 3h26 s PRO 97 Cb -0.02 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 3h26 s PRO 97 CO 0.05 -0.18 0.04 0.42 0.04 0.00 0.00 177.00 177.37 3h26 s ILE 98 N -0.96 4.66 -0.05 0.56 1.09 -1.26 -1.86 121.20 123.38 3h26 s ILE 98 Ca 0.50 -0.10 -0.02 0.00 -1.10 0.00 0.00 60.65 59.93 3h26 s ILE 98 Cb -0.39 -3.01 -0.04 0.00 -1.06 0.00 0.00 42.46 37.96 3h26 s ILE 98 CO 0.50 0.57 0.05 -0.94 -0.10 0.00 0.00 174.94 175.02 3h26 s SER 99 N -0.56 5.55 -0.32 3.58 1.04 0.51 -0.52 113.70 122.98 3h26 s SER 99 Ca 0.10 0.17 -0.14 0.00 0.48 0.00 0.00 55.95 56.57 3h26 s SER 99 Cb -0.12 -1.60 -0.02 0.00 0.10 0.00 0.00 66.02 64.38 3h26 s SER 99 CO 0.02 0.33 0.31 -0.51 0.98 0.00 0.00 173.24 174.37 3h26 s ILE 100 N -1.04 5.22 -1.01 -1.02 1.10 0.14 -0.75 121.20 123.84 3h26 s ILE 100 Ca 0.18 0.10 -0.22 0.00 -0.51 0.00 0.00 60.65 60.21 3h26 s ILE 100 Cb -0.12 -3.73 0.07 0.00 0.15 0.00 0.00 42.46 38.84 3h26 s ILE 100 CO 0.08 0.03 1.37 -0.62 -2.11 0.00 0.00 174.94 173.68 3h26 s ASP 101 N 1.72 6.55 0.22 4.50 3.68 -0.14 -0.82 116.67 132.39 3h26 s ASP 101 Ca 0.10 -1.67 -0.04 0.00 2.13 0.00 0.00 52.55 53.07 3h26 s ASP 101 Cb -0.16 -2.52 -0.03 0.00 -1.45 0.00 0.00 42.92 38.76 3h26 s ASP 101 CO 0.11 -1.37 0.24 0.28 0.13 0.00 0.00 175.17 174.57 3h26 s THR 102 N 4.28 0.00 0.00 1.71 -1.32 -0.87 -4.19 115.64 115.24 3h26 s THR 102 Ca 0.43 -1.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 3h26 s THR 102 Cb -0.01 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 3h26 s THR 102 CO -0.09 0.00 0.39 0.00 -2.21 0.00 0.00 174.62 172.71 3h26 n TYR 103 N -0.31 0.00 -3.63 9.09 0.18 -1.26 -3.44 117.16 117.79 3h26 n TYR 103 Ca 0.01 -0.05 -0.37 0.00 1.88 0.00 0.00 57.90 59.37 3h26 n TYR 103 Cb 0.65 -0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.54 3h26 n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h26 s LYS 104 N -0.10 3.84 0.04 -3.48 1.02 -1.26 -3.89 119.74 115.91 3h26 s LYS 104 Ca 0.00 0.17 -0.27 0.00 0.02 0.00 0.00 55.97 55.89 3h26 s LYS 104 Cb 0.00 -3.26 -0.17 0.00 -0.52 0.00 0.00 37.83 33.88 3h26 s LYS 104 CO 0.00 0.62 1.43 0.00 -0.92 0.00 0.00 175.35 176.47 3h26 h ALA 105 N 5.25 -0.50 -1.00 5.17 0.00 -1.91 -2.43 119.26 123.83 3h26 h ALA 105 Ca -0.50 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.32 3h26 h ALA 105 Cb 1.21 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 3h26 h ALA 105 CO 0.64 -0.69 0.64 1.49 0.00 0.00 0.00 179.25 181.33 3h26 h GLU 106 N -0.69 1.10 -0.34 0.00 4.57 -1.95 -1.44 114.58 115.83 3h26 h GLU 106 Ca -0.05 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 3h26 h GLU 106 Cb 0.49 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3h26 h GLU 106 CO 0.08 0.73 0.00 0.28 -1.18 0.00 0.00 179.01 178.92 3h26 h VAL 107 N 1.13 1.26 -0.79 0.32 2.07 -1.92 -2.74 116.25 115.58 3h26 h VAL 107 Ca 0.45 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3h26 h VAL 107 Cb 0.25 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3h26 h VAL 107 CO -0.19 0.32 0.46 0.00 0.02 0.00 0.00 177.57 178.17 3h26 h ALA 108 N 0.86 1.01 0.70 1.67 0.00 -0.86 -0.45 119.26 122.18 3h26 h ALA 108 Ca 0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h26 h ALA 108 Cb 0.45 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3h26 h ALA 108 CO 0.02 0.49 -0.34 -0.22 0.00 0.00 0.00 179.25 179.20 3h26 h LYS 109 N 1.09 -0.91 -0.42 0.00 3.64 -1.22 -0.68 116.57 118.07 3h26 h LYS 109 Ca 0.28 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.80 3h26 h LYS 109 Cb -0.01 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 31.92 3h26 h LYS 109 CO -0.05 -0.60 -0.35 1.96 -2.27 0.00 0.00 179.45 178.14 3h26 h GLN 110 N -0.97 -0.25 -0.55 1.90 1.08 -1.41 0.89 115.11 115.80 3h26 h GLN 110 Ca -0.10 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.22 3h26 h GLN 110 Cb 0.73 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 28.14 3h26 h GLN 110 CO 0.16 -0.17 0.10 0.00 -0.95 0.00 0.00 178.83 177.97 3h26 h ALA 111 N 0.70 0.62 -0.34 3.87 0.00 -0.95 1.09 119.26 124.25 3h26 h ALA 111 Ca 0.17 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3h26 h ALA 111 Cb 0.55 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3h26 h ALA 111 CO -0.56 -0.32 0.09 0.82 0.00 0.00 0.00 179.25 179.28 3h26 h ILE 112 N 0.23 1.22 -0.06 0.00 2.04 -0.43 0.25 117.51 120.75 3h26 h ILE 112 Ca 0.28 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 3h26 h ILE 112 Cb 0.41 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3h26 h ILE 112 CO -0.38 0.24 -0.10 -0.33 0.00 0.00 0.00 178.15 177.59 3h26 h GLU 113 N 0.40 0.09 0.00 2.37 4.39 0.13 -0.93 114.58 121.02 3h26 h GLU 113 Ca 0.11 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3h26 h GLU 113 Cb 0.28 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3h26 h GLU 113 CO -0.00 0.19 0.00 0.00 -1.16 0.00 0.00 179.01 178.04 3h26 n ALA 114 N -2.51 2.00 0.00 3.43 0.00 0.37 -4.87 120.51 118.93 3h26 n ALA 114 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3h26 n ALA 114 Cb 0.20 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3h26 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h26 n GLY 115 N 0.74 0.82 3.78 0.00 0.00 -0.36 -3.46 105.19 106.70 3h26 n GLY 115 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3h26 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h26 s ALA 116 N -1.75 2.67 -0.06 4.61 0.00 0.81 -4.78 121.76 123.26 3h26 s ALA 116 Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.77 3h26 s ALA 116 Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 3h26 s ALA 116 CO 0.00 -0.82 0.05 0.72 0.00 0.00 0.00 175.76 175.70 3h26 n HIS 117 N -1.50 0.00 -4.19 0.00 -0.00 0.32 -4.38 115.22 105.48 3h26 n HIS 117 Ca 0.11 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.65 3h26 n HIS 117 Cb 0.51 -0.32 -0.16 0.00 -0.00 0.00 0.00 29.99 30.03 3h26 n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h26 s ILE 118 N -2.22 0.51 -0.18 1.59 1.01 -0.83 -4.12 121.20 116.95 3h26 s ILE 118 Ca -0.03 -0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.23 3h26 s ILE 118 Cb 0.02 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 3h26 s ILE 118 CO 0.29 0.19 0.64 -0.63 0.00 0.00 0.00 174.94 175.42 3h26 s ILE 119 N 0.46 5.02 -0.48 2.92 1.01 -0.61 -0.69 121.20 128.83 3h26 s ILE 119 Ca -0.06 1.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.79 3h26 s ILE 119 Cb -0.09 -3.96 0.13 0.00 0.01 0.00 0.00 42.46 38.55 3h26 s ILE 119 CO -0.00 0.13 0.28 0.21 0.00 0.00 0.00 174.94 175.56 3h26 s ASN 120 N 1.13 5.15 -0.33 3.58 2.47 0.00 -0.18 114.94 126.76 3h26 s ASN 120 Ca 0.30 -2.39 -0.07 0.00 0.42 0.00 0.00 52.86 51.11 3h26 s ASN 120 Cb -0.16 -1.81 0.02 0.00 -1.45 0.00 0.00 41.25 37.85 3h26 s ASN 120 CO 0.11 -0.45 0.11 -0.62 -3.72 0.00 0.00 177.10 172.53 3h26 s ASP 121 N 1.23 5.32 0.00 -4.21 3.68 -0.94 -2.06 116.67 119.69 3h26 s ASP 121 Ca 0.12 -0.93 0.21 0.00 2.13 0.00 0.00 52.55 54.08 3h26 s ASP 121 Cb -0.22 -1.90 1.26 0.00 -1.45 0.00 0.00 42.92 40.61 3h26 s ASP 121 CO -0.04 -0.28 1.67 2.30 0.13 0.00 0.00 175.17 178.95 3h26 n ILE 122 N 4.87 0.04 -0.00 4.11 -5.35 -1.26 -2.23 119.36 119.54 3h26 n ILE 122 Ca -0.13 0.01 0.01 0.00 -0.27 0.00 0.00 62.75 62.37 3h26 n ILE 122 Cb 0.46 -0.67 0.03 0.00 -1.74 0.00 0.00 39.64 37.72 3h26 n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h26 n TRP 123 N -1.03 0.08 -4.09 4.28 7.02 -1.26 -4.47 117.44 117.96 3h26 n TRP 123 Ca 0.15 -0.37 -0.30 0.00 -1.02 0.00 0.00 57.50 55.96 3h26 n TRP 123 Cb 0.08 -0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 28.91 3h26 n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h26 n GLY 124 N -0.17 -0.30 2.75 6.99 0.00 -0.95 -0.05 105.19 113.46 3h26 n GLY 124 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3h26 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h26 n ALA 125 N -4.42 0.00 0.07 4.61 0.00 -1.26 -4.56 120.51 114.95 3h26 n ALA 125 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.33 3h26 n ALA 125 Cb 0.61 -0.70 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 3h26 n ALA 125 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h26 h LYS 126 N 0.73 0.00 0.13 0.00 1.57 -0.86 -2.94 116.57 115.20 3h26 h LYS 126 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3h26 h LYS 126 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3h26 h LYS 126 CO 0.00 0.19 -0.06 0.00 -0.57 0.00 0.00 179.45 179.01 3h26 h ALA 127 N 1.66 -0.17 -2.37 3.86 0.00 -1.87 -3.41 119.26 116.96 3h26 h ALA 127 Ca -0.09 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 53.99 3h26 h ALA 127 Cb 1.34 0.07 -0.38 0.00 0.00 0.00 0.00 17.79 18.81 3h26 h ALA 127 CO 0.03 -0.31 -0.96 0.39 0.00 0.00 0.00 179.25 178.40 3h26 n GLU 128 N -4.92 0.38 -0.44 0.00 1.02 -1.25 -5.01 120.64 110.42 3h26 n GLU 128 Ca -0.08 -3.28 0.36 0.00 -0.02 0.00 0.00 57.16 54.13 3h26 n GLU 128 Cb 0.27 -1.66 0.64 0.00 -0.02 0.00 0.00 31.44 30.67 3h26 n GLU 128 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3h26 h PRO 129 N 5.41 0.10 0.00 3.49 0.11 -1.76 0.54 132.00 139.88 3h26 h PRO 129 Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3h26 h PRO 129 Cb 0.89 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3h26 h PRO 129 CO 0.41 0.07 0.21 1.63 -0.21 0.00 0.00 178.00 180.11 3h26 n LYS 130 N -4.67 0.10 0.21 1.05 5.02 -1.26 -0.89 118.16 117.71 3h26 n LYS 130 Ca 0.36 0.58 0.05 0.00 -2.02 0.00 0.00 58.31 57.28 3h26 n LYS 130 Cb 1.40 -2.04 0.45 0.00 -0.02 0.00 0.00 35.03 34.82 3h26 n LYS 130 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3h26 h ILE 131 N 0.00 1.15 -0.08 -0.18 2.10 -0.26 -2.40 117.51 117.84 3h26 h ILE 131 Ca 0.00 -0.90 -0.10 0.00 1.08 0.00 0.00 64.86 64.94 3h26 h ILE 131 Cb 0.42 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 37.63 3h26 h ILE 131 CO 0.00 0.26 -0.40 0.00 -1.08 0.00 0.00 178.15 176.92 3h26 h ALA 132 N 1.74 1.18 -0.06 0.18 0.00 -1.23 -1.47 119.26 119.60 3h26 h ALA 132 Ca -0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3h26 h ALA 132 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h26 h ALA 132 CO 0.03 0.56 -0.44 0.93 0.00 0.00 0.00 179.25 180.33 3h26 h GLU 133 N 0.14 0.15 -0.15 0.00 5.08 -1.58 0.37 114.58 118.59 3h26 h GLU 133 Ca 0.01 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3h26 h GLU 133 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3h26 h GLU 133 CO 0.06 0.57 -0.12 0.28 -1.00 0.00 0.00 179.01 178.80 3h26 h VAL 134 N 0.12 1.33 -0.16 3.13 2.07 -1.24 -0.04 116.25 121.46 3h26 h VAL 134 Ca 0.01 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.32 3h26 h VAL 134 Cb 0.83 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3h26 h VAL 134 CO 0.06 0.36 0.01 0.00 0.02 0.00 0.00 177.57 178.03 3h26 h ALA 135 N 0.64 0.15 -0.79 1.67 0.00 -1.11 -1.06 119.26 118.75 3h26 h ALA 135 Ca 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3h26 h ALA 135 Cb 0.62 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3h26 h ALA 135 CO 0.03 -0.43 0.42 0.00 0.00 0.00 0.00 179.25 179.27 3h26 h ALA 136 N 1.13 1.02 -0.16 0.00 0.00 -0.94 0.35 119.26 120.65 3h26 h ALA 136 Ca 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3h26 h ALA 136 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3h26 h ALA 136 CO -0.12 0.54 0.06 1.25 0.00 0.00 0.00 179.25 180.99 3h26 h HIS 137 N 1.10 0.24 -0.00 0.00 6.17 -0.66 -2.92 115.15 119.08 3h26 h HIS 137 Ca 0.28 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.34 3h26 h HIS 137 Cb 0.05 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 29.91 3h26 h HIS 137 CO 0.00 0.31 -0.25 0.66 0.71 0.00 0.00 177.93 179.37 3h26 n TYR 138 N -4.87 0.00 -3.61 5.26 4.01 -0.43 -4.95 117.16 112.57 3h26 n TYR 138 Ca -0.05 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.46 3h26 n TYR 138 Cb 0.12 -0.20 0.07 0.00 -0.31 0.00 0.00 39.34 39.02 3h26 n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h26 n ASP 139 N -1.00 -4.97 -4.72 7.72 2.03 0.12 -4.99 116.55 110.74 3h26 n ASP 139 Ca 0.11 -0.60 -0.31 0.00 0.52 0.00 0.00 54.79 54.51 3h26 n ASP 139 Cb 0.32 -4.85 -0.08 0.00 -0.72 0.00 0.00 41.12 35.79 3h26 n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3h26 s VAL 140 N -3.34 4.22 0.27 5.18 -7.23 -0.83 -4.98 120.40 113.70 3h26 s VAL 140 Ca 0.44 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 3h26 s VAL 140 Cb -0.20 -2.99 -0.11 0.00 0.56 0.00 0.00 36.38 33.64 3h26 s VAL 140 CO 0.75 0.18 1.56 -2.84 -0.31 0.00 0.00 175.10 174.43 3h26 s PRO 141 N -2.18 4.16 -0.08 4.82 0.02 -1.26 -4.79 135.00 135.70 3h26 s PRO 141 Ca 0.26 2.50 0.05 0.00 0.02 0.00 0.00 61.00 63.82 3h26 s PRO 141 Cb -0.12 -3.05 -0.00 0.00 0.02 0.00 0.00 34.50 31.35 3h26 s PRO 141 CO 0.18 -0.58 -0.23 -1.50 -0.33 0.00 0.00 177.00 174.54 3h26 s ILE 142 N 0.06 1.92 -0.22 2.83 2.07 0.64 -1.57 121.20 126.94 3h26 s ILE 142 Ca 0.63 -0.96 -0.19 0.00 -1.41 0.00 0.00 60.65 58.72 3h26 s ILE 142 Cb -0.46 -1.66 -0.03 0.00 0.13 0.00 0.00 42.46 40.45 3h26 s ILE 142 CO 0.46 0.53 0.55 -0.63 -1.91 0.00 0.00 174.94 173.94 3h26 s ILE 143 N 0.19 5.07 -0.40 2.00 1.01 0.74 -1.17 121.20 128.63 3h26 s ILE 143 Ca -0.13 0.99 -0.10 0.00 0.00 0.00 0.00 60.65 61.42 3h26 s ILE 143 Cb -0.16 -3.86 0.06 0.00 0.01 0.00 0.00 42.46 38.50 3h26 s ILE 143 CO 0.06 0.13 0.24 -0.76 0.00 0.00 0.00 174.94 174.61 3h26 s LEU 144 N 1.95 4.97 0.12 2.97 1.43 0.20 -2.21 118.68 128.11 3h26 s LEU 144 Ca 0.24 -1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 51.95 3h26 s LEU 144 Cb -0.16 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 3h26 s LEU 144 CO 0.09 -0.48 0.47 -0.32 0.23 0.00 0.00 176.35 176.35 3h26 s MET 145 N 1.49 3.85 0.03 1.70 1.75 -0.99 -1.92 119.30 125.21 3h26 s MET 145 Ca 0.02 0.30 -0.30 0.00 -1.25 0.00 0.00 55.69 54.46 3h26 s MET 145 Cb -0.21 -2.94 -0.06 0.00 2.84 0.00 0.00 34.83 34.46 3h26 s MET 145 CO 0.04 0.51 1.34 -1.58 -0.65 0.00 0.00 175.02 174.68 3h26 s HIS 146 N -1.47 3.06 0.04 4.11 2.46 0.11 -3.73 115.29 119.88 3h26 s HIS 146 Ca 0.36 0.97 -0.21 0.00 0.47 0.00 0.00 55.06 56.65 3h26 s HIS 146 Cb -0.14 -3.60 0.05 0.00 -0.13 0.00 0.00 32.58 28.76 3h26 s HIS 146 CO 0.19 -2.10 0.50 1.21 -2.47 0.00 0.00 174.74 172.06 3h26 s ASN 147 N 1.55 -0.40 0.32 9.88 3.84 -1.26 -4.18 114.94 124.68 3h26 s ASN 147 Ca 0.62 0.15 -0.19 0.00 0.21 0.00 0.00 52.86 53.66 3h26 s ASN 147 Cb -0.31 0.47 0.04 0.00 -0.55 0.00 0.00 41.25 40.90 3h26 s ASN 147 CO 0.27 -0.69 0.76 0.00 -2.79 0.00 0.00 177.10 174.65 3h26 s ARG 148 N -2.37 1.95 -0.00 0.43 1.70 -1.26 -5.03 118.95 114.38 3h26 s ARG 148 Ca -0.06 -1.17 0.18 0.00 -0.47 0.00 0.00 55.73 54.22 3h26 s ARG 148 Cb -0.01 0.61 0.52 0.00 -0.57 0.00 0.00 34.95 35.50 3h26 s ARG 148 CO -0.01 -0.91 1.43 -0.40 -1.08 0.00 0.00 175.30 174.33 3h26 n ASP 149 N -0.87 3.15 -2.20 -2.89 5.75 -1.26 -4.63 116.55 113.60 3h26 n ASP 149 Ca -0.06 -2.00 -0.08 0.00 -0.01 0.00 0.00 54.79 52.64 3h26 n ASP 149 Cb 0.59 -0.39 -0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3h26 n ASP 149 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3h26 n ASN 150 N 1.21 -1.08 -0.86 -1.12 0.23 -1.26 -5.07 115.26 107.31 3h26 n ASN 150 Ca 0.20 -2.11 0.04 0.00 -0.53 0.00 0.00 54.58 52.18 3h26 n ASN 150 Cb 0.50 1.91 0.07 0.00 -2.08 0.00 0.00 39.78 40.17 3h26 n ASN 150 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3h26 n MET 151 N -0.35 0.47 -2.75 -3.83 2.81 -1.26 -4.78 117.12 107.42 3h26 n MET 151 Ca -0.02 -2.03 -0.43 0.00 -1.81 0.00 0.00 57.70 53.40 3h26 n MET 151 Cb 0.37 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 32.24 3h26 n MET 151 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3h26 n ASN 152 N -0.20 5.20 -4.70 7.83 3.02 -1.26 -4.97 115.26 120.18 3h26 n ASN 152 Ca 0.08 -3.03 -0.40 0.00 -0.03 0.00 0.00 54.58 51.20 3h26 n ASN 152 Cb 0.87 -1.53 -0.05 0.00 -0.61 0.00 0.00 39.78 38.46 3h26 n ASN 152 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h26 s TYR 153 N 1.07 3.51 0.08 3.10 1.51 -1.26 -4.96 117.35 120.40 3h26 s TYR 153 Ca 0.41 1.17 -0.14 0.00 -1.01 0.00 0.00 57.07 57.50 3h26 s TYR 153 Cb 0.01 -2.82 -0.19 0.00 -0.11 0.00 0.00 41.96 38.85 3h26 s TYR 153 CO 0.00 -0.01 1.24 -0.09 -1.11 0.00 0.00 175.55 175.58 3h26 h ARG 154 N 6.99 0.71 -1.49 -0.62 2.43 -2.01 -3.43 114.38 116.96 3h26 h ARG 154 Ca -0.37 -0.65 -0.11 0.00 -0.81 0.00 0.00 59.98 58.04 3h26 h ARG 154 Cb 1.17 0.16 -0.26 0.00 -0.42 0.00 0.00 29.97 30.62 3h26 h ARG 154 CO 0.77 1.25 -0.47 1.21 -1.51 0.00 0.00 179.97 181.22 3h26 s ASN 155 N -7.10 -0.28 0.14 -3.80 3.84 -1.26 -5.08 114.94 101.39 3h26 s ASN 155 Ca -0.11 -0.07 -0.29 0.00 0.21 0.00 0.00 52.86 52.61 3h26 s ASN 155 Cb 0.07 1.43 -0.08 0.00 -0.55 0.00 0.00 41.25 42.12 3h26 s ASN 155 CO 0.90 -0.33 1.49 0.25 -2.79 0.00 0.00 177.10 176.62 3h26 h LEU 156 N 8.11 -1.87 -0.59 3.21 5.85 -1.98 0.36 115.31 128.40 3h26 h LEU 156 Ca -0.09 0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3h26 h LEU 156 Cb 1.15 0.81 -0.02 0.00 0.37 0.00 0.00 40.66 42.96 3h26 h LEU 156 CO 0.24 -0.26 0.04 0.24 -0.34 0.00 0.00 178.44 178.35 3h26 h MET 157 N -0.13 1.01 -0.66 1.25 2.86 -1.98 0.40 114.93 117.68 3h26 h MET 157 Ca 0.12 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 3h26 h MET 157 Cb 0.43 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3h26 h MET 157 CO -0.74 0.98 0.10 0.00 1.06 0.00 0.00 176.91 178.30 3h26 h ALA 158 N 0.99 0.91 -0.40 6.32 0.00 -1.78 0.01 119.26 125.32 3h26 h ALA 158 Ca 0.17 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3h26 h ALA 158 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3h26 h ALA 158 CO 0.02 0.67 -0.16 -0.44 0.00 0.00 0.00 179.25 179.34 3h26 h ASP 159 N 1.03 0.83 -0.20 0.00 3.32 0.09 -0.61 116.42 120.87 3h26 h ASP 159 Ca 0.20 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3h26 h ASP 159 Cb 0.46 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3h26 h ASP 159 CO 0.01 1.04 0.13 0.24 -1.72 0.00 0.00 179.24 178.94 3h26 h MET 160 N 0.62 0.27 -0.76 3.56 2.86 -0.08 0.91 114.93 122.31 3h26 h MET 160 Ca 0.09 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3h26 h MET 160 Cb 0.71 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 3h26 h MET 160 CO 0.05 0.20 0.34 0.82 1.06 0.00 0.00 176.91 179.38 3h26 h ILE 161 N 0.27 1.25 -0.79 -1.22 2.04 -0.97 0.68 117.51 118.76 3h26 h ILE 161 Ca 0.07 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3h26 h ILE 161 Cb -0.01 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 3h26 h ILE 161 CO -0.02 0.30 0.39 0.00 0.00 0.00 0.00 178.15 178.83 3h26 h ALA 162 N 1.17 1.02 -0.27 1.87 0.00 -0.88 -1.26 119.26 120.90 3h26 h ALA 162 Ca 0.26 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3h26 h ALA 162 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3h26 h ALA 162 CO -0.03 0.57 -0.08 -0.44 0.00 0.00 0.00 179.25 179.27 3h26 h ASP 163 N 1.11 0.54 -0.82 0.00 3.32 -0.30 -2.28 116.42 117.99 3h26 h ASP 163 Ca 0.27 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3h26 h ASP 163 Cb 0.10 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3h26 h ASP 163 CO -0.04 0.79 0.48 -0.07 -1.72 0.00 0.00 179.24 178.68 3h26 h LEU 164 N 0.28 1.01 -1.08 1.55 3.38 -0.78 -2.09 115.31 117.58 3h26 h LEU 164 Ca 0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3h26 h LEU 164 Cb 0.56 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3h26 h LEU 164 CO 0.03 0.79 0.05 0.22 0.09 0.00 0.00 178.44 179.62 3h26 h TYR 165 N 1.15 0.74 -0.94 1.13 3.20 -1.08 -1.41 116.97 119.75 3h26 h TYR 165 Ca 0.30 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 62.15 3h26 h TYR 165 Cb -0.01 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 37.99 3h26 h TYR 165 CO 0.01 0.66 0.61 -0.44 -1.64 0.00 0.00 178.16 177.36 3h26 h ASP 166 N 0.68 0.97 -0.55 -2.11 3.32 -0.79 -1.57 116.42 116.37 3h26 h ASP 166 Ca 0.14 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 3h26 h ASP 166 Cb 0.34 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3h26 h ASP 166 CO 0.01 0.63 0.11 0.28 -1.72 0.00 0.00 179.24 178.55 3h26 h SER 167 N 1.11 0.86 -0.26 6.45 0.02 -1.01 -2.96 113.55 117.76 3h26 h SER 167 Ca 0.40 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3h26 h SER 167 Cb 0.15 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3h26 h SER 167 CO -0.15 0.89 0.15 0.40 -1.14 0.00 0.00 176.83 176.99 3h26 h ILE 168 N 0.80 1.11 -0.28 3.27 2.04 -0.48 -1.05 117.51 122.92 3h26 h ILE 168 Ca 0.17 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.83 3h26 h ILE 168 Cb 0.38 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3h26 h ILE 168 CO 0.01 0.10 -0.10 0.50 0.00 0.00 0.00 178.15 178.66 3h26 h LYS 169 N 0.32 -0.05 -0.50 2.37 1.63 -1.33 0.82 116.57 119.85 3h26 h LYS 169 Ca 0.09 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.96 3h26 h LYS 169 Cb 0.03 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.62 3h26 h LYS 169 CO -0.02 -0.03 0.17 0.82 -3.45 0.00 0.00 179.45 176.95 3h26 h ILE 170 N -0.05 0.83 0.65 2.00 2.04 -1.30 0.35 117.51 122.03 3h26 h ILE 170 Ca 0.14 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3h26 h ILE 170 Cb 0.26 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3h26 h ILE 170 CO -0.31 0.06 -0.31 0.00 0.00 0.00 0.00 178.15 177.59 3h26 h ALA 171 N 1.33 -0.87 -0.18 1.87 0.00 -0.59 -2.68 119.26 118.14 3h26 h ALA 171 Ca 0.24 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3h26 h ALA 171 Cb 0.25 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3h26 h ALA 171 CO -0.24 -0.99 -0.23 0.87 0.00 0.00 0.00 179.25 178.66 3h26 h LYS 172 N -0.87 0.31 0.00 0.00 1.57 -0.56 -1.32 116.57 115.70 3h26 h LYS 172 Ca -0.09 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3h26 h LYS 172 Cb 0.67 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3h26 h LYS 172 CO 0.15 0.54 -0.07 -0.44 -0.57 0.00 0.00 179.45 179.05 3h26 h ASP 173 N 0.28 0.00 0.39 0.86 3.45 -0.29 -2.19 116.42 118.93 3h26 h ASP 173 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3h26 h ASP 173 Cb 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 3h26 h ASP 173 CO 0.04 0.07 -0.45 0.00 -1.57 0.00 0.00 179.24 177.33 3h26 n ALA 174 N -2.21 3.47 0.00 3.45 0.00 -0.53 -4.95 120.51 119.74 3h26 n ALA 174 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3h26 n ALA 174 Cb 0.21 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3h26 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h26 n GLY 175 N 1.45 0.94 3.68 0.00 0.00 -0.82 -4.63 105.19 105.81 3h26 n GLY 175 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3h26 n GLY 175 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h26 n VAL 176 N -0.68 0.46 -1.87 1.61 0.31 -1.01 -4.87 118.33 112.28 3h26 n VAL 176 Ca 0.00 -0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.90 3h26 n VAL 176 Cb 0.00 -2.10 0.04 0.00 -0.91 0.00 0.00 33.84 30.88 3h26 n VAL 176 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3h26 s ARG 177 N 3.17 2.81 0.18 5.55 0.52 -1.26 -4.29 118.95 125.63 3h26 s ARG 177 Ca 0.85 1.69 -0.13 0.00 -0.52 0.00 0.00 55.73 57.61 3h26 s ARG 177 Cb -0.51 -1.92 0.18 0.00 0.52 0.00 0.00 34.95 33.21 3h26 s ARG 177 CO 0.40 -1.30 1.71 -0.44 0.02 0.00 0.00 175.30 175.69 3h26 h ASP 178 N 0.49 -0.05 0.16 0.23 3.32 -1.98 -1.83 116.42 116.76 3h26 h ASP 178 Ca -0.49 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3h26 h ASP 178 Cb 1.28 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.97 3h26 h ASP 178 CO 0.54 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.44 3h26 n GLU 179 N -5.14 0.02 -0.39 3.56 4.71 -1.26 -0.82 120.64 121.31 3h26 n GLU 179 Ca 0.05 0.38 0.12 0.00 -0.01 0.00 0.00 57.16 57.69 3h26 n GLU 179 Cb 0.24 -1.50 0.33 0.00 -1.01 0.00 0.00 31.44 29.50 3h26 n GLU 179 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3h26 n ASN 180 N -1.46 4.05 -4.63 1.62 5.03 -0.69 -4.85 115.26 114.33 3h26 n ASN 180 Ca 0.01 -2.03 -0.35 0.00 0.87 0.00 0.00 54.58 53.09 3h26 n ASN 180 Cb 0.06 -0.50 -0.10 0.00 -1.02 0.00 0.00 39.78 38.21 3h26 n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h26 s ILE 181 N -1.05 4.65 -0.05 2.41 1.01 -0.00 -0.26 121.20 127.91 3h26 s ILE 181 Ca 0.50 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.09 3h26 s ILE 181 Cb 0.26 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3h26 s ILE 181 CO 0.33 0.49 -0.15 -0.63 0.00 0.00 0.00 174.94 174.99 3h26 s ILE 182 N 0.16 1.25 0.14 2.92 1.01 -0.32 -4.24 121.20 122.12 3h26 s ILE 182 Ca 0.04 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.12 3h26 s ILE 182 Cb -0.12 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 3h26 s ILE 182 CO 0.01 0.37 0.24 -0.76 0.00 0.00 0.00 174.94 174.80 3h26 s LEU 183 N 0.25 4.22 -0.07 2.97 1.02 -0.48 0.59 118.68 127.19 3h26 s LEU 183 Ca -0.07 0.12 -0.03 0.00 0.02 0.00 0.00 54.13 54.17 3h26 s LEU 183 Cb -0.12 -2.81 0.04 0.00 0.02 0.00 0.00 46.19 43.32 3h26 s LEU 183 CO 0.03 0.08 0.15 -0.62 0.02 0.00 0.00 176.35 176.00 3h26 s ASP 184 N -3.08 -0.07 0.56 2.29 -1.08 -0.81 0.08 116.67 114.56 3h26 s ASP 184 Ca 0.34 0.32 0.35 0.00 -0.52 0.00 0.00 52.55 53.04 3h26 s ASP 184 Cb -0.11 0.21 1.54 0.00 -1.46 0.00 0.00 42.92 43.10 3h26 s ASP 184 CO 0.27 -0.16 2.04 1.55 0.52 0.00 0.00 175.17 179.40 3h26 h PRO 185 N 7.31 0.00 -3.07 4.34 0.13 -1.89 0.32 132.00 139.13 3h26 h PRO 185 Ca -0.41 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 3h26 h PRO 185 Cb 1.14 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.32 3h26 h PRO 185 CO 0.40 0.00 -0.25 0.41 -0.23 0.00 0.00 178.00 178.34 3h26 n GLY 186 N -0.16 0.23 3.70 1.56 0.00 -1.26 -4.24 105.19 105.02 3h26 n GLY 186 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3h26 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h26 s ILE 187 N -3.11 2.56 0.00 -0.61 -1.09 -1.26 -1.50 121.20 116.18 3h26 s ILE 187 Ca 0.04 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 3h26 s ILE 187 Cb -0.02 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 3h26 s ILE 187 CO 0.24 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 3h26 n GLY 188 N 4.08 0.18 3.32 6.18 0.00 -1.26 -4.84 105.19 112.84 3h26 n GLY 188 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3h26 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h26 s PHE 189 N -2.00 2.80 -1.56 1.61 0.40 -0.56 -4.68 117.98 113.98 3h26 s PHE 189 Ca 0.00 -0.82 -0.13 0.00 -0.60 0.00 0.00 56.93 55.38 3h26 s PHE 189 Cb 0.00 -1.87 0.09 0.00 0.51 0.00 0.00 43.02 41.75 3h26 s PHE 189 CO 0.00 -0.34 0.82 0.00 0.70 0.00 0.00 175.22 176.40 3h26 n ALA 190 N 3.79 -1.43 -3.72 5.36 0.00 -1.26 -4.82 120.51 118.43 3h26 n ALA 190 Ca -0.18 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 3h26 n ALA 190 Cb 0.52 -3.54 -0.13 0.00 0.00 0.00 0.00 19.45 16.30 3h26 n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h26 s LYS 191 N -6.67 0.18 0.75 0.00 1.02 -1.26 -4.61 119.74 109.14 3h26 s LYS 191 Ca 0.55 0.54 -0.14 0.00 0.02 0.00 0.00 55.97 56.94 3h26 s LYS 191 Cb -0.29 -0.12 0.05 0.00 -0.52 0.00 0.00 37.83 36.95 3h26 s LYS 191 CO 0.87 -0.19 1.16 0.95 -0.92 0.00 0.00 175.35 177.23 3h26 s THR 192 N 1.44 2.59 0.34 2.17 -4.23 -1.26 -4.74 115.64 111.95 3h26 s THR 192 Ca -0.07 0.26 0.12 0.00 -1.18 0.00 0.00 61.69 60.81 3h26 s THR 192 Cb -0.11 -2.72 0.36 0.00 1.34 0.00 0.00 72.50 71.37 3h26 s THR 192 CO -0.08 -0.18 1.60 -0.65 -0.54 0.00 0.00 174.62 174.77 3h26 h PRO 193 N -0.56 0.08 0.00 3.99 0.11 -1.99 0.92 132.00 134.56 3h26 h PRO 193 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3h26 h PRO 193 Cb 1.27 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3h26 h PRO 193 CO 0.50 0.06 -0.14 1.49 -0.21 0.00 0.00 178.00 179.69 3h26 h GLU 194 N 0.09 0.00 -0.09 1.05 4.81 -1.98 -2.92 114.58 115.54 3h26 h GLU 194 Ca 0.72 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.76 3h26 h GLU 194 Cb 1.70 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.07 3h26 h GLU 194 CO -0.77 0.06 -0.73 1.96 -0.73 0.00 0.00 179.01 178.80 3h26 h GLN 195 N 0.00 0.45 -0.78 1.92 4.20 -1.18 -1.86 115.11 117.86 3h26 h GLN 195 Ca -0.00 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 3h26 h GLN 195 Cb 1.05 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 3h26 h GLN 195 CO 0.01 1.00 0.42 -0.91 -0.67 0.00 0.00 178.83 178.67 3h26 h ASN 196 N 0.31 0.98 -0.76 1.46 2.35 -1.27 0.11 115.58 118.76 3h26 h ASN 196 Ca -0.03 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 3h26 h ASN 196 Cb 1.31 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.39 3h26 h ASN 196 CO 0.13 0.81 0.25 -0.07 -1.65 0.00 0.00 177.43 176.89 3h26 h LEU 197 N 1.08 1.10 -0.33 1.61 3.38 -1.42 -1.23 115.31 119.50 3h26 h LEU 197 Ca 0.27 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3h26 h LEU 197 Cb 0.05 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3h26 h LEU 197 CO -0.04 1.01 -0.29 -0.08 0.09 0.00 0.00 178.44 179.12 3h26 h GLU 198 N 1.13 0.78 -0.69 1.13 4.81 -0.96 -0.31 114.58 120.46 3h26 h GLU 198 Ca 0.25 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3h26 h GLU 198 Cb 0.30 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 3h26 h GLU 198 CO -0.01 1.02 0.42 0.00 -0.73 0.00 0.00 179.01 179.71 3h26 h ALA 199 N 0.74 0.92 -0.70 2.92 0.00 -0.63 -1.57 119.26 120.94 3h26 h ALA 199 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3h26 h ALA 199 Cb 0.87 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3h26 h ALA 199 CO 0.07 0.16 0.26 0.52 0.00 0.00 0.00 179.25 180.26 3h26 h MET 200 N 0.80 1.05 0.00 0.00 2.86 -0.99 -0.80 114.93 117.85 3h26 h MET 200 Ca 0.29 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3h26 h MET 200 Cb 0.09 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 3h26 h MET 200 CO -0.14 0.88 -0.16 -0.09 1.06 0.00 0.00 176.91 178.46 3h26 h ARG 201 N 1.00 0.00 -0.03 1.72 2.43 -0.58 -3.10 114.38 115.82 3h26 h ARG 201 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3h26 h ARG 201 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3h26 h ARG 201 CO -0.02 0.16 0.00 0.09 -1.51 0.00 0.00 179.97 178.70 3h26 n ASN 202 N -3.45 2.44 -0.34 -3.80 3.02 -0.63 -4.80 115.26 107.70 3h26 n ASN 202 Ca -0.01 -2.93 0.19 0.00 -0.03 0.00 0.00 54.58 51.81 3h26 n ASN 202 Cb 0.34 -0.38 0.43 0.00 -0.61 0.00 0.00 39.78 39.56 3h26 n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h26 h LEU 203 N 0.17 0.59 -2.35 3.41 3.38 -1.07 -2.14 115.31 117.31 3h26 h LEU 203 Ca 0.00 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3h26 h LEU 203 Cb 0.97 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3h26 h LEU 203 CO 0.02 0.12 0.15 1.05 0.09 0.00 0.00 178.44 179.87 3h26 h GLU 204 N 0.53 0.00 0.00 1.13 9.09 -1.87 -1.77 114.58 121.69 3h26 h GLU 204 Ca 0.61 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 60.01 3h26 h GLU 204 Cb 1.30 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.40 3h26 h GLU 204 CO -0.38 0.00 -0.07 1.96 0.05 0.00 0.00 179.01 180.56 3h26 h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.73 -1.07 115.11 117.57 3h26 h GLN 205 Ca 0.05 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3h26 h GLN 205 Cb 0.35 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3h26 h GLN 205 CO -0.00 0.07 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.03 3h26 h LEU 206 N 0.00 0.00 -2.42 1.46 3.38 -1.53 -3.11 115.31 113.10 3h26 h LEU 206 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h26 h LEU 206 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3h26 h LEU 206 CO 0.01 0.13 -0.02 0.78 0.09 0.00 0.00 178.44 179.43 3h26 h ASN 207 N 0.00 0.00 0.71 -0.43 2.35 -1.38 -2.01 115.58 114.83 3h26 h ASN 207 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h26 h ASN 207 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3h26 h ASN 207 CO 0.02 0.02 0.00 1.33 -1.65 0.00 0.00 177.43 177.15 3h26 n VAL 208 N -3.69 0.84 0.19 2.81 0.24 -1.17 -2.23 118.33 115.32 3h26 n VAL 208 Ca -0.03 0.23 0.06 0.00 -2.04 0.00 0.00 64.34 62.56 3h26 n VAL 208 Cb 0.11 -1.16 0.37 0.00 -1.47 0.00 0.00 33.84 31.70 3h26 n VAL 208 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3h26 h LEU 209 N 0.00 0.00 0.00 1.34 3.38 -1.59 -3.47 115.31 114.97 3h26 h LEU 209 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h26 h LEU 209 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3h26 h LEU 209 CO 0.00 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.49 3h26 n GLY 210 N 0.06 0.73 3.64 0.83 0.00 -0.95 -5.08 105.19 104.43 3h26 n GLY 210 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3h26 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h26 s TYR 211 N -2.21 2.85 0.78 1.61 1.51 -1.26 -4.46 117.35 116.17 3h26 s TYR 211 Ca 0.00 -0.11 -0.14 0.00 -1.01 0.00 0.00 57.07 55.81 3h26 s TYR 211 Cb 0.00 -1.45 0.05 0.00 -0.11 0.00 0.00 41.96 40.45 3h26 s TYR 211 CO 0.00 0.47 1.10 -2.30 -1.11 0.00 0.00 175.55 173.71 3h26 n PRO 212 N 0.39 0.31 -4.97 -1.71 -0.02 -1.26 -4.77 135.00 122.97 3h26 n PRO 212 Ca -0.11 0.17 -0.28 0.00 -2.02 0.00 0.00 63.50 61.26 3h26 n PRO 212 Cb 0.53 -2.35 -0.16 0.00 -0.02 0.00 0.00 33.50 31.50 3h26 n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h26 s VAL 213 N -2.00 1.63 -0.13 -1.45 1.01 -1.26 -1.38 120.40 116.82 3h26 s VAL 213 Ca 0.73 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 3h26 s VAL 213 Cb -0.31 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3h26 s VAL 213 CO 0.51 0.46 -0.03 -0.22 0.00 0.00 0.00 175.10 175.82 3h26 s LEU 214 N 0.04 3.30 -0.16 3.92 2.96 0.11 -0.54 118.68 128.31 3h26 s LEU 214 Ca -0.05 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3h26 s LEU 214 Cb -0.13 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3h26 s LEU 214 CO 0.03 0.24 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.02 3h26 s LEU 215 N -0.04 3.07 -0.33 -0.68 2.96 -0.02 -3.98 118.68 119.66 3h26 s LEU 215 Ca 0.01 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3h26 s LEU 215 Cb -0.13 -1.74 0.10 0.00 0.50 0.00 0.00 46.19 44.92 3h26 s LEU 215 CO 0.03 0.13 0.07 -0.83 -1.32 0.00 0.00 176.35 174.42 3h26 s GLY 216 N 0.58 1.66 0.00 7.98 0.00 -1.26 -0.42 107.32 115.86 3h26 s GLY 216 Ca -0.04 -2.27 0.00 0.00 0.00 0.00 0.00 44.72 42.41 3h26 s GLY 216 CO 0.03 1.16 0.33 -1.30 0.00 0.00 0.00 173.10 173.32 3h26 n THR 217 N 4.43 0.00 -1.65 0.90 -2.24 -1.26 -4.32 114.28 110.13 3h26 n THR 217 Ca 0.02 -0.33 -0.46 0.00 -2.27 0.00 0.00 64.05 61.01 3h26 n THR 217 Cb 0.42 1.34 -0.04 0.00 -2.10 0.00 0.00 70.33 69.94 3h26 n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h26 n SER 218 N -0.01 3.56 -1.14 3.42 2.88 -1.26 -2.63 113.62 118.44 3h26 n SER 218 Ca 0.00 0.82 -0.15 0.00 -1.33 0.00 0.00 58.87 58.22 3h26 n SER 218 Cb 0.08 -1.43 -0.06 0.00 -0.75 0.00 0.00 64.21 62.05 3h26 n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h26 n ARG 219 N 7.27 -1.62 -1.56 -1.46 1.74 -1.26 -4.92 116.66 114.85 3h26 n ARG 219 Ca 0.24 1.02 -0.30 0.00 -0.77 0.00 0.00 57.85 58.04 3h26 n ARG 219 Cb 0.34 -5.44 0.09 0.00 -1.02 0.00 0.00 32.46 26.43 3h26 n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h26 s LYS 220 N -3.26 2.06 0.26 5.56 1.02 -1.08 -4.82 119.74 119.48 3h26 s LYS 220 Ca 0.00 0.62 -0.02 0.00 0.02 0.00 0.00 55.97 56.59 3h26 s LYS 220 Cb 0.00 -1.92 0.51 0.00 -0.52 0.00 0.00 37.83 35.90 3h26 s LYS 220 CO 0.00 -1.63 1.77 0.77 -0.92 0.00 0.00 175.35 175.33 3h26 h SER 221 N -1.10 0.54 0.19 2.83 0.02 -1.93 -1.92 113.55 112.18 3h26 h SER 221 Ca -0.47 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3h26 h SER 221 Cb 1.27 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 3h26 h SER 221 CO 0.59 0.24 -0.02 2.19 -1.14 0.00 0.00 176.83 178.70 3h26 h PHE 222 N 0.64 0.00 -0.07 3.45 -5.15 -1.93 0.26 116.94 114.15 3h26 h PHE 222 Ca 0.45 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 58.09 3h26 h PHE 222 Cb 0.61 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.79 3h26 h PHE 222 CO -0.09 0.02 -0.46 0.82 -2.00 0.00 0.00 178.31 176.60 3h26 h ILE 223 N 0.00 1.40 -0.98 0.88 2.04 -1.71 -2.89 117.51 116.24 3h26 h ILE 223 Ca -0.00 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.01 3h26 h ILE 223 Cb 0.12 2.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 3h26 h ILE 223 CO 0.00 0.54 0.63 1.23 0.00 0.00 0.00 178.15 180.56 3h26 h GLY 224 N -0.03 1.40 0.85 5.37 0.00 -0.88 0.62 103.07 110.40 3h26 h GLY 224 Ca -0.04 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.78 3h26 h GLY 224 CO 0.09 0.53 0.35 0.84 0.00 0.00 0.00 176.54 178.35 3h26 h HIS 225 N 1.34 0.65 0.01 5.60 -0.00 -0.64 0.46 115.15 122.57 3h26 h HIS 225 Ca 0.36 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.75 3h26 h HIS 225 Cb -0.13 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.07 3h26 h HIS 225 CO 0.00 0.37 -0.00 0.28 -0.00 0.00 0.00 177.93 178.57 3h26 h VAL 226 N 0.69 1.54 -0.00 5.26 2.07 -1.25 -3.34 116.25 121.21 3h26 h VAL 226 Ca 0.24 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3h26 h VAL 226 Cb 0.04 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3h26 h VAL 226 CO -0.11 0.43 -0.35 0.18 0.02 0.00 0.00 177.57 177.74 3h26 n LEU 227 N -4.75 0.41 -3.76 2.57 4.77 0.18 -4.96 117.00 111.44 3h26 n LEU 227 Ca -0.09 0.11 -0.32 0.00 -0.03 0.00 0.00 56.01 55.67 3h26 n LEU 227 Cb 0.35 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3h26 n LEU 227 CO 0.33 0.10 -0.09 -0.67 -1.33 0.00 0.00 177.39 175.73 3h26 n ASP 228 N -1.43 -5.13 -3.82 -1.43 2.03 0.16 -5.01 116.55 101.93 3h26 n ASP 228 Ca 0.07 -1.02 -0.12 0.00 0.52 0.00 0.00 54.79 54.23 3h26 n ASP 228 Cb 0.33 -2.78 -0.11 0.00 -0.72 0.00 0.00 41.12 37.84 3h26 n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h26 s LEU 229 N -6.32 1.27 1.01 -2.67 1.43 -1.19 -5.07 118.68 107.14 3h26 s LEU 229 Ca 0.37 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.57 3h26 s LEU 229 Cb -0.16 0.74 0.19 0.00 0.03 0.00 0.00 46.19 46.99 3h26 s LEU 229 CO 0.89 -0.18 1.12 -2.16 0.23 0.00 0.00 176.35 176.26 3h26 s PRO 230 N -0.38 0.32 0.29 1.29 0.04 -1.26 -4.34 135.00 130.97 3h26 s PRO 230 Ca -0.05 0.27 0.04 0.00 0.04 0.00 0.00 61.00 61.31 3h26 s PRO 230 Cb -0.03 -1.75 0.71 0.00 0.04 0.00 0.00 34.50 33.47 3h26 s PRO 230 CO 0.01 -2.75 1.75 -0.24 0.04 0.00 0.00 177.00 175.80 3h26 h VAL 231 N -1.90 0.63 -0.00 -0.36 3.04 -1.97 -0.12 116.25 115.57 3h26 h VAL 231 Ca -0.51 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 3h26 h VAL 231 Cb 1.32 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 3h26 h VAL 231 CO 0.54 0.11 -0.00 -1.84 -1.01 0.00 0.00 177.57 175.37 3h26 n GLU 232 N -4.88 1.00 -1.36 4.17 0.00 -1.26 -3.24 120.64 115.08 3h26 n GLU 232 Ca 0.22 -0.02 -0.16 0.00 0.00 0.00 0.00 57.16 57.20 3h26 n GLU 232 Cb 0.59 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.64 3h26 n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h26 n GLU 233 N -0.98 2.66 -0.36 3.44 -0.58 -0.06 -4.75 120.64 120.01 3h26 n GLU 233 Ca 0.24 -3.63 0.07 0.00 -0.42 0.00 0.00 57.16 53.42 3h26 n GLU 233 Cb 0.12 -2.05 0.18 0.00 -0.57 0.00 0.00 31.44 29.12 3h26 n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h26 n ARG 234 N -0.93 1.50 0.09 3.49 1.74 -1.20 -4.75 116.66 116.60 3h26 n ARG 234 Ca 0.40 -2.95 -0.13 0.00 -0.77 0.00 0.00 57.85 54.40 3h26 n ARG 234 Cb 0.91 -1.58 -0.08 0.00 -1.02 0.00 0.00 32.46 30.69 3h26 n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h26 h LEU 235 N 0.56 -0.21 -0.70 0.55 6.46 -1.86 -0.01 115.31 120.11 3h26 h LEU 235 Ca 0.01 -0.25 0.01 0.00 -0.12 0.00 0.00 57.88 57.53 3h26 h LEU 235 Cb 1.04 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.99 3h26 h LEU 235 CO 0.02 0.16 0.46 -0.33 -0.62 0.00 0.00 178.44 178.13 3h26 h GLU 236 N -0.60 0.92 -0.15 1.25 3.07 -1.99 0.76 114.58 117.85 3h26 h GLU 236 Ca -0.03 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3h26 h GLU 236 Cb 0.44 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3h26 h GLU 236 CO 0.04 0.62 0.01 0.78 -1.40 0.00 0.00 179.01 179.06 3h26 h GLY 237 N 0.95 0.14 0.62 -3.84 0.00 -1.86 -1.04 103.07 98.04 3h26 h GLY 237 Ca 0.26 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.65 3h26 h GLY 237 CO -0.05 -0.02 0.23 -0.84 0.00 0.00 0.00 176.54 175.86 3h26 h THR 238 N 0.06 0.89 -0.35 4.70 2.02 -0.69 -2.50 112.91 117.04 3h26 h THR 238 Ca 0.07 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.17 3h26 h THR 238 Cb 0.07 0.41 -0.09 0.00 -1.74 0.00 0.00 68.15 66.81 3h26 h THR 238 CO -0.10 0.08 -0.32 1.23 0.37 0.00 0.00 175.52 176.77 3h26 h GLY 239 N 0.44 -0.28 0.51 2.16 0.00 -0.35 0.57 103.07 106.12 3h26 h GLY 239 Ca 0.24 0.41 0.11 0.00 0.00 0.00 0.00 47.33 48.08 3h26 h GLY 239 CO -0.20 -0.21 0.59 0.00 0.00 0.00 0.00 176.54 176.72 3h26 h ALA 240 N 0.70 1.41 -0.19 3.60 0.00 -0.84 -0.95 119.26 122.99 3h26 h ALA 240 Ca 0.16 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3h26 h ALA 240 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h26 h ALA 240 CO -0.50 0.22 -0.63 1.79 0.00 0.00 0.00 179.25 180.12 3h26 h THR 241 N 0.96 1.30 -0.43 0.00 1.35 -0.84 -1.77 112.91 113.49 3h26 h THR 241 Ca 0.46 -1.87 -0.01 0.00 -0.55 0.00 0.00 66.41 64.45 3h26 h THR 241 Cb 0.42 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 3h26 h THR 241 CO -0.25 0.59 0.25 0.58 -0.25 0.00 0.00 175.52 176.44 3h26 h VAL 242 N 0.51 1.15 0.21 6.82 2.07 -0.47 -0.69 116.25 125.84 3h26 h VAL 242 Ca -0.01 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3h26 h VAL 242 Cb 1.23 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3h26 h VAL 242 CO 0.13 0.15 -0.10 0.00 0.02 0.00 0.00 177.57 177.77 3h26 h LEU 244 N -0.36 0.97 -0.32 0.00 5.85 -1.31 -0.19 115.31 119.95 3h26 h LEU 244 Ca -0.03 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3h26 h LEU 244 Cb 0.28 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3h26 h LEU 244 CO 0.05 0.68 0.16 1.23 -0.34 0.00 0.00 178.44 180.22 3h26 h GLY 245 N 1.14 0.43 0.91 3.75 0.00 -0.92 -0.76 103.07 107.61 3h26 h GLY 245 Ca 0.34 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 3h26 h GLY 245 CO -0.10 0.10 0.02 -2.22 0.00 0.00 0.00 176.54 174.34 3h26 h ILE 246 N 0.34 1.25 0.00 2.60 2.04 -0.71 -1.93 117.51 121.10 3h26 h ILE 246 Ca 0.13 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 3h26 h ILE 246 Cb 0.03 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3h26 h ILE 246 CO -0.08 0.30 -0.02 -0.08 0.00 0.00 0.00 178.15 178.27 3h26 h GLU 247 N 0.40 0.00 -0.04 2.37 4.22 -0.77 -1.37 114.58 119.39 3h26 h GLU 247 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.54 3h26 h GLU 247 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3h26 h GLU 247 CO 0.01 0.02 0.00 1.63 -2.18 0.00 0.00 179.01 178.49 3h26 n LYS 248 N -3.41 1.93 0.00 1.92 5.02 -0.32 -4.95 118.16 118.35 3h26 n LYS 248 Ca -0.03 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.92 3h26 n LYS 248 Cb 0.12 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3h26 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h26 n GLY 249 N 1.24 1.32 3.81 0.72 0.00 -0.52 -4.16 105.19 107.61 3h26 n GLY 249 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3h26 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h26 n GLU 251 N -0.24 0.65 -4.02 0.00 4.71 0.30 -4.75 120.64 117.29 3h26 n GLU 251 Ca 0.05 -0.07 -0.12 0.00 -0.01 0.00 0.00 57.16 57.02 3h26 n GLU 251 Cb 0.53 -1.60 -0.12 0.00 -1.01 0.00 0.00 31.44 29.24 3h26 n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h26 s PHE 252 N -3.23 0.43 -0.01 -0.32 0.40 -0.97 -1.15 117.98 113.12 3h26 s PHE 252 Ca -0.07 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 55.88 3h26 s PHE 252 Cb 0.11 -0.27 -0.01 0.00 0.51 0.00 0.00 43.02 43.36 3h26 s PHE 252 CO 0.87 -0.11 -0.16 0.14 0.70 0.00 0.00 175.22 176.65 3h26 s VAL 253 N -1.19 1.27 -0.38 -0.44 -7.23 -0.65 -0.84 120.40 110.95 3h26 s VAL 253 Ca -0.11 -0.71 -0.08 0.00 -1.81 0.00 0.00 61.98 59.27 3h26 s VAL 253 Cb -0.08 -1.06 0.05 0.00 0.56 0.00 0.00 36.38 35.84 3h26 s VAL 253 CO -0.00 0.34 0.19 -0.60 -0.31 0.00 0.00 175.10 174.72 3h26 s ARG 254 N -0.42 2.64 0.07 4.82 3.52 0.44 0.09 118.95 130.10 3h26 s ARG 254 Ca 0.06 -1.27 0.03 0.00 -0.13 0.00 0.00 55.73 54.42 3h26 s ARG 254 Cb -0.06 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 3h26 s ARG 254 CO -0.00 -0.79 -0.10 0.14 -0.81 0.00 0.00 175.30 173.74 3h26 s VAL 255 N 1.44 0.76 -0.07 7.11 -7.23 0.55 -4.02 120.40 118.94 3h26 s VAL 255 Ca 0.01 -1.33 -0.22 0.00 -1.81 0.00 0.00 61.98 58.63 3h26 s VAL 255 Cb -0.21 -0.97 -0.30 0.00 0.56 0.00 0.00 36.38 35.46 3h26 s VAL 255 CO 0.03 -0.43 0.82 0.45 -0.31 0.00 0.00 175.10 175.66 3h26 h HIS 256 N 4.11 0.47 -2.35 2.82 3.86 -1.88 -1.05 115.15 121.12 3h26 h HIS 256 Ca -0.37 -0.35 -0.77 0.00 -1.16 0.00 0.00 60.37 57.72 3h26 h HIS 256 Cb 1.19 -0.02 -0.21 0.00 1.06 0.00 0.00 27.41 29.44 3h26 h HIS 256 CO 0.64 1.32 1.27 -0.25 0.86 0.00 0.00 177.93 181.77 3h26 n ASP 257 N -4.14 5.47 0.11 2.45 10.43 -1.26 -4.76 116.55 124.84 3h26 n ASP 257 Ca -0.15 -3.11 -0.13 0.00 2.57 0.00 0.00 54.79 53.97 3h26 n ASP 257 Cb 0.80 -1.45 -0.07 0.00 1.84 0.00 0.00 41.12 42.24 3h26 n ASP 257 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3h26 h VAL 258 N 3.96 0.86 -0.06 2.53 2.07 -1.93 -0.27 116.25 123.41 3h26 h VAL 258 Ca 0.29 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.84 3h26 h VAL 258 Cb 0.75 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3h26 h VAL 258 CO 1.33 0.00 -0.23 0.50 0.02 0.00 0.00 177.57 179.19 3h26 h LYS 259 N -0.20 -0.32 -0.41 1.57 3.64 -1.89 0.38 116.57 119.34 3h26 h LYS 259 Ca -0.02 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3h26 h LYS 259 Cb 0.15 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3h26 h LYS 259 CO 0.03 -0.21 0.05 0.93 -2.27 0.00 0.00 179.45 177.98 3h26 h GLU 260 N -0.33 0.70 -0.13 1.90 3.07 -1.86 -2.89 114.58 115.04 3h26 h GLU 260 Ca 0.08 -0.20 -0.13 0.00 -0.50 0.00 0.00 59.36 58.61 3h26 h GLU 260 Cb 0.44 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3h26 h GLU 260 CO -0.25 0.75 -0.47 0.52 -1.40 0.00 0.00 179.01 178.16 3h26 h MET 261 N 0.55 0.32 -0.50 2.33 2.86 -0.76 -2.73 114.93 117.00 3h26 h MET 261 Ca 0.12 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3h26 h MET 261 Cb 0.41 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 3h26 h MET 261 CO 0.01 0.73 0.29 0.77 1.06 0.00 0.00 176.91 179.77 3h26 h SER 262 N 0.26 0.61 -0.55 1.22 0.02 -0.16 0.18 113.55 115.12 3h26 h SER 262 Ca 0.02 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3h26 h SER 262 Cb 0.93 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 3h26 h SER 262 CO 0.08 0.50 0.24 0.03 -1.14 0.00 0.00 176.83 176.54 3h26 h ARG 263 N 0.67 0.82 -0.36 3.45 3.08 -1.45 0.35 114.38 120.93 3h26 h ARG 263 Ca 0.18 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 3h26 h ARG 263 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3h26 h ARG 263 CO -0.03 0.69 -0.08 0.52 -1.07 0.00 0.00 179.97 179.99 3h26 h MET 264 N 0.75 0.69 -0.81 0.04 2.86 -1.25 -1.48 114.93 115.74 3h26 h MET 264 Ca 0.19 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3h26 h MET 264 Cb 0.16 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 3h26 h MET 264 CO -0.02 0.85 0.34 0.00 1.06 0.00 0.00 176.91 179.14 3h26 h ALA 265 N 0.82 1.04 -0.73 6.32 0.00 -0.54 -1.54 119.26 124.64 3h26 h ALA 265 Ca 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3h26 h ALA 265 Cb 0.59 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3h26 h ALA 265 CO 0.04 0.65 0.25 -0.22 0.00 0.00 0.00 179.25 179.97 3h26 h LYS 266 N 1.16 1.11 -0.37 0.00 3.64 -0.75 -1.35 116.57 120.01 3h26 h LYS 266 Ca 0.27 -0.23 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 3h26 h LYS 266 Cb 0.18 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3h26 h LYS 266 CO -0.03 0.94 -0.27 1.98 -2.27 0.00 0.00 179.45 179.80 3h26 h MET 267 N 1.06 0.78 -0.07 1.90 4.05 -0.94 -2.63 114.93 119.07 3h26 h MET 267 Ca 0.24 -0.34 -0.00 0.00 -0.28 0.00 0.00 59.70 59.31 3h26 h MET 267 Cb 0.27 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 3h26 h MET 267 CO -0.01 0.96 0.04 0.52 0.23 0.00 0.00 176.91 178.65 3h26 h MET 268 N 0.67 0.10 -0.68 0.39 2.86 -1.12 -2.24 114.93 114.91 3h26 h MET 268 Ca 0.08 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.85 3h26 h MET 268 Cb 0.80 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.34 3h26 h MET 268 CO 0.07 0.14 0.12 -0.44 1.06 0.00 0.00 176.91 177.86 3h26 h ASP 269 N 0.02 -0.06 -0.64 1.22 3.45 -1.11 0.79 116.42 120.09 3h26 h ASP 269 Ca 0.02 0.14 -0.04 0.00 0.43 0.00 0.00 57.03 57.58 3h26 h ASP 269 Cb 0.08 0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 3h26 h ASP 269 CO -0.00 -0.05 0.23 0.00 -1.57 0.00 0.00 179.24 177.85 3h26 h ALA 270 N 1.57 0.83 -0.00 3.45 0.00 -1.30 0.13 119.26 123.94 3h26 h ALA 270 Ca 0.37 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3h26 h ALA 270 Cb 0.61 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h26 h ALA 270 CO -0.49 0.47 -0.00 0.52 0.00 0.00 0.00 179.25 179.75 3h26 h MET 271 N 0.91 0.00 0.00 0.00 2.86 -0.59 -3.03 114.93 115.08 3h26 h MET 271 Ca 0.21 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3h26 h MET 271 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3h26 h MET 271 CO -0.01 0.67 0.00 -0.84 1.06 0.00 0.00 176.91 177.79 3h26 h ILE 272 N -0.66 0.00 0.00 -1.22 3.07 -0.94 -3.46 117.51 114.29 3h26 h ILE 272 Ca -0.00 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 66.15 3h26 h ILE 272 Cb 0.67 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 3h26 h ILE 272 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 3h26 n GLY 273 N -0.24 0.57 0.00 0.16 0.00 -0.33 -5.08 105.19 100.27 3h26 n GLY 273 Ca 0.01 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.28 3h26 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49