#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h23 s TRP 3 N 0.00 3.50 -0.76 5.64 0.52 -1.26 -4.93 118.94 121.65 3h23 s TRP 3 Ca 0.00 1.50 0.07 0.00 0.02 0.00 0.00 56.10 57.69 3h23 s TRP 3 Cb 0.00 -3.26 0.41 0.00 -1.15 0.00 0.00 33.47 29.47 3h23 s TRP 3 CO 0.00 -0.59 1.15 -0.40 0.02 0.00 0.00 176.95 177.13 3h23 n ASP 4 N 4.28 3.26 -3.46 2.95 3.85 -1.26 -4.86 116.55 121.32 3h23 n ASP 4 Ca 0.08 -2.42 -0.13 0.00 -0.71 0.00 0.00 54.79 51.60 3h23 n ASP 4 Cb 0.49 -0.56 -0.03 0.00 -1.35 0.00 0.00 41.12 39.67 3h23 n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h23 s TYR 5 N -1.85 -0.55 0.17 2.11 -0.85 -1.26 -5.17 117.35 109.94 3h23 s TYR 5 Ca 0.27 0.54 0.03 0.00 -0.52 0.00 0.00 57.07 57.39 3h23 s TYR 5 Cb 0.20 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 43.02 3h23 s TYR 5 CO 0.09 -0.75 0.29 -0.51 -1.52 0.00 0.00 175.55 173.15 3h23 s ASP 6 N -2.28 6.26 -0.47 -0.18 1.01 -1.26 -4.62 116.67 115.13 3h23 s ASP 6 Ca -0.02 0.12 -0.28 0.00 0.71 0.00 0.00 52.55 53.08 3h23 s ASP 6 Cb -0.01 -1.86 0.03 0.00 1.01 0.00 0.00 42.92 42.10 3h23 s ASP 6 CO -0.06 0.02 1.07 -0.22 0.21 0.00 0.00 175.17 176.18 3h23 s LEU 7 N -3.41 3.76 -0.39 1.23 1.98 0.39 -4.88 118.68 117.36 3h23 s LEU 7 Ca 0.34 0.36 -0.26 0.00 -2.89 0.00 0.00 54.13 51.68 3h23 s LEU 7 Cb -0.10 -3.43 0.02 0.00 0.66 0.00 0.00 46.19 43.33 3h23 s LEU 7 CO 0.28 -1.18 0.94 -0.13 -1.89 0.00 0.00 176.35 174.38 3h23 s ARG 8 N 4.20 3.77 -0.60 1.98 1.81 -1.26 -0.79 118.95 128.07 3h23 s ARG 8 Ca 0.44 0.50 0.05 0.00 -1.72 0.00 0.00 55.73 55.00 3h23 s ARG 8 Cb -0.08 -3.83 0.34 0.00 -0.45 0.00 0.00 34.95 30.92 3h23 s ARG 8 CO 0.30 -1.03 0.97 0.00 -0.68 0.00 0.00 175.30 174.86 3h23 n GLY 10 N -0.20 2.16 0.27 0.00 0.00 -1.26 -0.83 105.19 105.34 3h23 n GLY 10 Ca 0.31 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.60 3h23 n GLY 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h23 h GLU 11 N 0.00 0.00 -6.34 1.61 4.11 -2.02 -3.44 114.58 108.51 3h23 h GLU 11 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.83 3h23 h GLU 11 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 3h23 h GLU 11 CO 0.00 0.10 -0.67 0.71 0.07 0.00 0.00 179.01 179.22 3h23 s TYR 12 N -4.00 2.78 -0.03 2.06 1.51 -0.01 -5.13 117.35 114.53 3h23 s TYR 12 Ca -0.02 -0.17 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 3h23 s TYR 12 Cb 0.12 -1.33 -0.00 0.00 -0.11 0.00 0.00 41.96 40.64 3h23 s TYR 12 CO 0.56 0.53 -0.13 0.99 -1.11 0.00 0.00 175.55 176.39 3h23 s THR 13 N -1.83 1.11 -0.25 -0.71 2.01 -1.26 0.59 115.64 115.29 3h23 s THR 13 Ca 0.28 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 3h23 s THR 13 Cb -0.09 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.50 3h23 s THR 13 CO 0.18 0.33 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.62 3h23 s LEU 14 N 0.00 3.22 -0.12 4.42 1.43 0.03 -4.96 118.68 122.70 3h23 s LEU 14 Ca -0.01 -0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 51.90 3h23 s LEU 14 Cb -0.09 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 3h23 s LEU 14 CO 0.01 -0.13 1.18 0.21 0.23 0.00 0.00 176.35 177.84 3h23 s ASN 15 N 1.32 7.05 0.13 2.29 3.84 -1.26 -0.46 114.94 127.84 3h23 s ASN 15 Ca -0.00 1.69 0.27 0.00 0.21 0.00 0.00 52.86 55.02 3h23 s ASN 15 Cb -0.17 -2.55 0.85 0.00 -0.55 0.00 0.00 41.25 38.83 3h23 s ASN 15 CO -0.04 -0.64 1.74 0.18 -2.79 0.00 0.00 177.10 175.55 3h23 n LEU 16 N 5.77 0.55 0.03 3.21 4.77 -1.26 -4.13 117.00 125.94 3h23 n LEU 16 Ca 0.12 0.47 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 3h23 n LEU 16 Cb 0.46 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 3h23 n LEU 16 CO 0.55 -0.09 -0.30 0.59 -1.33 0.00 0.00 177.39 176.81 3h23 n ASN 17 N -1.98 0.46 -0.01 -1.43 3.02 -1.26 -4.55 115.26 109.51 3h23 n ASN 17 Ca 0.06 -0.07 -0.15 0.00 -0.03 0.00 0.00 54.58 54.39 3h23 n ASN 17 Cb 0.40 1.20 -0.14 0.00 -0.61 0.00 0.00 39.78 40.63 3h23 n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h23 h GLU 18 N 0.00 0.13 -2.87 3.52 4.11 -1.83 -3.47 114.58 114.18 3h23 h GLU 18 Ca 0.00 -0.22 -0.06 0.00 0.07 0.00 0.00 59.36 59.15 3h23 h GLU 18 Cb 0.88 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.06 3h23 h GLU 18 CO 0.00 0.84 0.04 -1.59 0.07 0.00 0.00 179.01 178.37 3h23 s LYS 19 N -2.58 1.06 0.19 1.06 -2.85 -1.26 -4.91 119.74 110.45 3h23 s LYS 19 Ca -0.13 -0.31 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 3h23 s LYS 19 Cb 0.07 0.48 -0.09 0.00 -2.06 0.00 0.00 37.83 36.24 3h23 s LYS 19 CO 0.80 -0.40 1.32 0.99 0.10 0.00 0.00 175.35 178.16 3h23 s THR 20 N -2.73 3.21 -0.10 3.79 2.01 -1.26 -4.85 115.64 115.71 3h23 s THR 20 Ca -0.04 0.98 -0.16 0.00 0.31 0.00 0.00 61.69 62.79 3h23 s THR 20 Cb -0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 3h23 s THR 20 CO -0.04 0.14 0.40 -0.76 -0.69 0.00 0.00 174.62 173.67 3h23 s LEU 21 N -0.01 4.33 -0.32 4.42 1.43 -0.13 -4.97 118.68 123.43 3h23 s LEU 21 Ca 0.57 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.31 3h23 s LEU 21 Cb -0.37 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 3h23 s LEU 21 CO 0.38 0.13 0.27 -0.63 0.23 0.00 0.00 176.35 176.73 3h23 s ILE 22 N 0.04 5.26 -0.42 -0.59 -1.09 -1.26 -1.22 121.20 121.91 3h23 s ILE 22 Ca 0.22 0.03 -0.19 0.00 -2.23 0.00 0.00 60.65 58.48 3h23 s ILE 22 Cb -0.15 -3.68 0.02 0.00 -1.58 0.00 0.00 42.46 37.07 3h23 s ILE 22 CO 0.09 0.06 0.57 -0.32 -1.23 0.00 0.00 174.94 174.11 3h23 s MET 23 N 1.84 3.25 0.17 2.79 -2.45 0.08 -0.93 119.30 124.05 3h23 s MET 23 Ca 0.09 -0.48 -0.30 0.00 -1.25 0.00 0.00 55.69 53.75 3h23 s MET 23 Cb -0.17 -3.94 -0.07 0.00 1.25 0.00 0.00 34.83 31.90 3h23 s MET 23 CO 0.11 -0.93 0.97 0.20 1.05 0.00 0.00 175.02 176.42 3h23 s GLY 24 N 1.92 3.04 -0.33 2.11 0.00 0.43 -1.55 107.32 112.94 3h23 s GLY 24 Ca 0.19 0.62 -0.19 0.00 0.00 0.00 0.00 44.72 45.33 3h23 s GLY 24 CO 0.17 1.36 0.59 -0.42 0.00 0.00 0.00 173.10 174.80 3h23 s ILE 25 N -0.53 4.95 0.12 0.90 1.01 -0.88 -0.74 121.20 126.03 3h23 s ILE 25 Ca 0.45 0.62 -0.31 0.00 0.00 0.00 0.00 60.65 61.40 3h23 s ILE 25 Cb -0.25 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 3h23 s ILE 25 CO 0.31 -0.20 1.47 -0.22 0.00 0.00 0.00 174.94 176.31 3h23 s LEU 26 N 2.56 4.37 -0.30 2.97 2.96 -0.14 -4.88 118.68 126.22 3h23 s LEU 26 Ca 0.23 2.42 -0.28 0.00 -0.22 0.00 0.00 54.13 56.27 3h23 s LEU 26 Cb -0.15 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3h23 s LEU 26 CO 0.13 -0.74 2.08 0.20 -1.32 0.00 0.00 176.35 176.70 3h23 s ASN 27 N 1.32 5.51 -0.80 3.68 0.01 -1.26 -4.79 114.94 118.60 3h23 s ASN 27 Ca 0.67 1.56 -0.02 0.00 -0.71 0.00 0.00 52.86 54.36 3h23 s ASN 27 Cb -0.39 -2.52 0.37 0.00 0.41 0.00 0.00 41.25 39.13 3h23 s ASN 27 CO 0.30 -1.97 2.00 0.52 -1.51 0.00 0.00 177.10 176.44 3h23 n VAL 28 N 7.65 3.57 -1.86 1.60 0.31 -1.26 -4.63 118.33 123.70 3h23 n VAL 28 Ca 0.28 -4.02 -0.22 0.00 -0.01 0.00 0.00 64.34 60.37 3h23 n VAL 28 Cb 0.47 -1.22 -0.06 0.00 -0.91 0.00 0.00 33.84 32.11 3h23 n VAL 28 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3h23 s THR 29 N -5.03 3.28 0.28 2.52 2.01 -1.26 -4.99 115.64 112.45 3h23 s THR 29 Ca 0.55 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 3h23 s THR 29 Cb 0.45 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 69.18 3h23 s THR 29 CO -0.32 -0.59 1.15 -2.16 -0.69 0.00 0.00 174.62 172.01 3h23 s PRO 30 N 7.70 4.57 0.54 4.92 0.04 -1.26 -4.77 135.00 146.74 3h23 s PRO 30 Ca 0.78 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.73 3h23 s PRO 30 Cb -0.08 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3h23 s PRO 30 CO 0.04 0.10 0.00 -0.40 0.04 0.00 0.00 177.00 176.77 3h23 n ASP 31 N 1.23 -8.42 0.00 6.66 5.68 -1.26 -5.12 116.55 115.31 3h23 n ASP 31 Ca -0.00 1.48 0.00 0.00 -0.50 0.00 0.00 54.79 55.76 3h23 n ASP 31 Cb 0.44 -4.83 0.00 0.00 -1.14 0.00 0.00 41.12 35.59 3h23 n ASP 31 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3h23 n SER 34 N -1.58 0.00 -3.41 -1.12 3.41 -1.26 -5.08 113.62 104.57 3h23 n SER 34 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 3h23 n SER 34 Cb 0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 3h23 n SER 34 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3h23 s ASP 35 N -2.44 2.04 0.00 4.04 -4.77 -1.26 -5.08 116.67 109.20 3h23 s ASP 35 Ca 0.00 -1.76 0.00 0.00 -3.30 0.00 0.00 52.55 47.49 3h23 s ASP 35 Cb 0.00 0.13 0.00 0.00 -1.09 0.00 0.00 42.92 41.96 3h23 s ASP 35 CO 0.00 -0.30 0.00 0.61 0.70 0.00 0.00 175.17 176.18 3h23 n GLY 36 N 4.28 -0.49 3.12 2.12 0.00 -1.26 -4.75 105.19 108.22 3h23 n GLY 36 Ca 0.10 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 3h23 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h23 n GLY 37 N -0.11 2.35 3.86 -0.02 0.00 -1.24 -4.92 105.19 105.11 3h23 n GLY 37 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 3h23 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h23 s SER 38 N 5.17 5.60 0.26 1.61 1.04 -1.26 -4.93 113.70 121.18 3h23 s SER 38 Ca 0.57 1.30 -0.02 0.00 0.48 0.00 0.00 55.95 58.28 3h23 s SER 38 Cb 0.14 -2.18 0.34 0.00 0.10 0.00 0.00 66.02 64.42 3h23 s SER 38 CO 0.14 -1.26 1.75 0.22 0.98 0.00 0.00 173.24 175.06 3h23 h TYR 39 N -0.60 0.81 -0.07 5.02 3.20 -1.99 -2.54 116.97 120.80 3h23 h TYR 39 Ca -0.45 -0.12 -0.19 0.00 3.14 0.00 0.00 58.73 61.11 3h23 h TYR 39 Cb 1.23 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 3h23 h TYR 39 CO 0.56 0.78 -0.76 -0.91 -1.64 0.00 0.00 178.16 176.19 3h23 h ASN 40 N 0.70 0.52 0.26 -2.11 2.35 -1.98 0.49 115.58 115.81 3h23 h ASN 40 Ca 0.13 -0.35 -0.30 0.00 -0.55 0.00 0.00 56.30 55.23 3h23 h ASN 40 Cb 0.49 -0.15 0.03 0.00 0.05 0.00 0.00 38.32 38.73 3h23 h ASN 40 CO 0.02 1.10 -1.27 1.05 -1.65 0.00 0.00 177.43 176.68 3h23 h GLU 41 N 0.29 0.53 0.00 0.81 4.11 -1.86 -2.53 114.58 115.93 3h23 h GLU 41 Ca -0.04 -0.76 -0.16 0.00 0.07 0.00 0.00 59.36 58.47 3h23 h GLU 41 Cb 1.35 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 3h23 h GLU 41 CO 0.13 1.34 -0.75 0.28 0.07 0.00 0.00 179.01 180.09 3h23 h VAL 42 N 0.21 1.43 -0.37 -1.06 2.07 -1.46 -1.86 116.25 115.20 3h23 h VAL 42 Ca -0.19 -2.67 -0.16 0.00 0.82 0.00 0.00 66.70 64.50 3h23 h VAL 42 Cb 1.95 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 34.20 3h23 h VAL 42 CO 0.24 0.74 -0.41 -0.78 0.02 0.00 0.00 177.57 177.37 3h23 h ASP 43 N 0.00 1.00 -0.13 0.57 3.58 -1.00 -1.58 116.42 118.86 3h23 h ASP 43 Ca -0.01 -0.47 0.03 0.00 0.42 0.00 0.00 57.03 57.00 3h23 h ASP 43 Cb 1.42 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 42.17 3h23 h ASP 43 CO 0.10 1.28 -0.03 0.00 -2.88 0.00 0.00 179.24 177.70 3h23 h ALA 44 N 0.76 0.08 -0.64 -0.78 0.00 -1.31 -2.11 119.26 115.27 3h23 h ALA 44 Ca 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h23 h ALA 44 Cb 1.01 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3h23 h ALA 44 CO 0.10 -0.49 0.34 0.00 0.00 0.00 0.00 179.25 179.21 3h23 h ALA 45 N 1.13 0.82 0.41 0.00 0.00 -1.29 -0.78 119.26 119.55 3h23 h ALA 45 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3h23 h ALA 45 Cb 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3h23 h ALA 45 CO -0.14 0.34 -0.20 0.28 0.00 0.00 0.00 179.25 179.54 3h23 h VAL 46 N 0.87 0.60 -0.03 0.00 2.07 -1.19 -0.16 116.25 118.40 3h23 h VAL 46 Ca 0.22 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3h23 h VAL 46 Cb 0.06 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3h23 h VAL 46 CO -0.03 0.04 0.02 0.03 0.02 0.00 0.00 177.57 177.65 3h23 h ARG 47 N -0.67 0.00 0.03 1.57 3.08 -1.32 0.21 114.38 117.29 3h23 h ARG 47 Ca -0.06 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.73 3h23 h ARG 47 Cb 0.49 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.56 3h23 h ARG 47 CO 0.09 0.00 -1.08 1.25 -1.07 0.00 0.00 179.97 179.16 3h23 h HIS 48 N 0.00 0.96 -0.22 3.04 2.76 -0.89 -1.10 115.15 119.70 3h23 h HIS 48 Ca 0.01 -0.54 -0.10 0.00 -2.20 0.00 0.00 60.37 57.54 3h23 h HIS 48 Cb 0.05 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 3h23 h HIS 48 CO 0.00 1.38 -0.30 0.00 -1.30 0.00 0.00 177.93 177.70 3h23 h ALA 49 N 0.44 1.06 -0.43 5.26 0.00 -0.57 -1.36 119.26 123.65 3h23 h ALA 49 Ca -0.14 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3h23 h ALA 49 Cb 1.74 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3h23 h ALA 49 CO 0.21 0.58 0.08 0.87 0.00 0.00 0.00 179.25 180.98 3h23 h LYS 50 N 0.39 0.71 -0.36 0.00 1.57 -0.96 -1.36 116.57 116.56 3h23 h LYS 50 Ca 0.05 -0.19 0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3h23 h LYS 50 Cb 0.73 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 3h23 h LYS 50 CO 0.06 0.74 -0.18 1.49 -0.57 0.00 0.00 179.45 180.98 3h23 h GLU 51 N 0.57 -0.12 -0.46 3.15 4.81 -0.91 -1.66 114.58 119.97 3h23 h GLU 51 Ca 0.13 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 3h23 h GLU 51 Cb 0.36 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3h23 h GLU 51 CO 0.01 -0.08 -0.19 0.52 -0.73 0.00 0.00 179.01 178.53 3h23 h MET 52 N -0.12 0.90 0.08 1.92 2.86 -1.16 -1.65 114.93 117.76 3h23 h MET 52 Ca 0.18 -0.36 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 3h23 h MET 52 Cb 0.40 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3h23 h MET 52 CO -0.44 1.02 -0.12 -0.09 1.06 0.00 0.00 176.91 178.34 3h23 h ARG 53 N 0.79 -0.23 -0.05 1.72 1.12 -1.24 -0.23 114.38 116.26 3h23 h ARG 53 Ca 0.11 0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.01 3h23 h ARG 53 Cb 0.74 0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.75 3h23 h ARG 53 CO 0.06 -0.16 0.06 -0.44 -3.11 0.00 0.00 179.97 176.39 3h23 h ASP 54 N -0.24 0.00 0.19 -3.80 3.32 -1.00 -2.96 116.42 111.93 3h23 h ASP 54 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3h23 h ASP 54 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3h23 h ASP 54 CO -0.06 0.00 -0.63 -0.62 -1.72 0.00 0.00 179.24 176.21 3h23 n GLU 55 N -3.79 0.35 0.00 3.56 1.02 -0.65 -4.95 120.64 116.18 3h23 n GLU 55 Ca -0.02 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 3h23 n GLU 55 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3h23 n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h23 n GLY 56 N 1.46 1.98 3.78 0.62 0.00 -0.85 -3.91 105.19 108.26 3h23 n GLY 56 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3h23 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h23 s ALA 57 N -1.98 3.21 -0.26 4.61 0.00 -0.15 -4.71 121.76 122.47 3h23 s ALA 57 Ca 0.00 0.61 0.13 0.00 0.00 0.00 0.00 51.96 52.70 3h23 s ALA 57 Cb 0.00 -3.22 -0.18 0.00 0.00 0.00 0.00 23.12 19.72 3h23 s ALA 57 CO 0.00 0.06 0.40 0.72 0.00 0.00 0.00 175.76 176.94 3h23 n HIS 58 N 0.53 0.00 -3.78 0.00 8.25 -0.11 -4.67 115.22 115.45 3h23 n HIS 58 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 3h23 n HIS 58 Cb 0.49 -0.18 -0.12 0.00 1.12 0.00 0.00 29.99 31.30 3h23 n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h23 s ILE 59 N -2.65 -0.01 -0.21 1.59 1.01 -1.07 -4.00 121.20 115.87 3h23 s ILE 59 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.62 3h23 s ILE 59 Cb 0.09 -0.34 -0.02 0.00 0.01 0.00 0.00 42.46 42.20 3h23 s ILE 59 CO 0.55 0.01 0.01 -0.63 0.00 0.00 0.00 174.94 174.88 3h23 s ILE 60 N 0.34 3.95 -0.18 2.92 -1.09 -0.30 -0.43 121.20 126.40 3h23 s ILE 60 Ca -0.02 -0.31 -0.15 0.00 -2.23 0.00 0.00 60.65 57.94 3h23 s ILE 60 Cb -0.03 -2.80 -0.04 0.00 -1.58 0.00 0.00 42.46 38.01 3h23 s ILE 60 CO -0.01 0.41 0.37 -0.62 -1.23 0.00 0.00 174.94 173.86 3h23 s ASP 61 N 1.18 6.46 -0.15 3.58 3.68 0.08 -0.94 116.67 130.56 3h23 s ASP 61 Ca 0.03 0.54 0.00 0.00 2.13 0.00 0.00 52.55 55.25 3h23 s ASP 61 Cb -0.14 -2.22 0.02 0.00 -1.45 0.00 0.00 42.92 39.13 3h23 s ASP 61 CO 0.01 -0.01 -0.14 -0.63 0.13 0.00 0.00 175.17 174.53 3h23 s ILE 62 N 0.98 1.59 0.03 4.11 1.01 -0.70 -0.97 121.20 127.25 3h23 s ILE 62 Ca 0.19 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.23 3h23 s ILE 62 Cb -0.14 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 3h23 s ILE 62 CO 0.07 0.45 -0.15 -0.83 0.00 0.00 0.00 174.94 174.48 3h23 s GLY 63 N 1.48 0.82 0.00 6.18 0.00 -1.26 -1.56 107.32 112.97 3h23 s GLY 63 Ca 0.05 -0.82 0.25 0.00 0.00 0.00 0.00 44.72 44.21 3h23 s GLY 63 CO -0.11 -0.77 1.54 0.61 0.00 0.00 0.00 173.10 174.37 3h23 n GLY 64 N 2.06 0.49 7.00 0.20 0.00 -1.26 -4.81 105.19 108.86 3h23 n GLY 64 Ca -0.17 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3h23 n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h23 n GLU 65 N 0.67 0.00 0.00 1.61 4.71 -1.26 -4.97 120.64 121.41 3h23 n GLU 65 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 3h23 n GLU 65 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.88 3h23 n GLU 65 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3h23 n VAL 74 N 0.00 0.00 -2.21 2.62 0.31 -1.26 -5.08 118.33 112.71 3h23 n VAL 74 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 3h23 n VAL 74 Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 3h23 n VAL 74 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3h23 s SER 75 N 0.00 4.80 0.31 4.52 1.04 -1.26 -4.89 113.70 118.22 3h23 s SER 75 Ca 0.00 0.43 0.07 0.00 0.48 0.00 0.00 55.95 56.93 3h23 s SER 75 Cb 0.00 -1.08 0.79 0.00 0.10 0.00 0.00 66.02 65.83 3h23 s SER 75 CO 0.00 -1.60 1.75 0.58 0.98 0.00 0.00 173.24 174.94 3h23 h VAL 76 N -0.60 0.61 0.33 5.02 2.07 -2.03 -1.68 116.25 119.98 3h23 h VAL 76 Ca -0.44 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3h23 h VAL 76 Cb 1.31 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3h23 h VAL 76 CO 0.60 0.12 -0.16 -0.33 0.02 0.00 0.00 177.57 177.81 3h23 h GLU 77 N 0.64 -0.43 0.00 1.57 3.07 -2.00 -2.21 114.58 115.22 3h23 h GLU 77 Ca 0.60 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.46 3h23 h GLU 77 Cb 1.04 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3h23 h GLU 77 CO -0.44 -0.26 -0.13 0.93 -1.40 0.00 0.00 179.01 177.71 3h23 h GLU 78 N -0.48 0.00 0.07 2.33 5.08 -1.88 -2.09 114.58 117.60 3h23 h GLU 78 Ca -0.05 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.04 3h23 h GLU 78 Cb 0.37 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.64 3h23 h GLU 78 CO 0.07 0.13 -1.15 1.49 -1.00 0.00 0.00 179.01 178.56 3h23 h GLU 79 N 0.00 0.60 0.23 2.33 4.81 -1.34 -2.93 114.58 118.27 3h23 h GLU 79 Ca -0.00 -0.74 -0.01 0.00 -0.13 0.00 0.00 59.36 58.48 3h23 h GLU 79 Cb 0.89 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3h23 h GLU 79 CO 0.02 1.32 -0.11 0.82 -0.73 0.00 0.00 179.01 180.32 3h23 h ILE 80 N 0.29 0.84 -1.03 2.32 2.04 -1.30 -0.97 117.51 119.70 3h23 h ILE 80 Ca -0.15 -0.51 0.26 0.00 1.00 0.00 0.00 64.86 65.45 3h23 h ILE 80 Cb 1.81 1.14 -0.10 0.00 -0.74 0.00 0.00 36.82 38.93 3h23 h ILE 80 CO 0.22 0.11 0.66 0.50 0.00 0.00 0.00 178.15 179.64 3h23 h LYS 81 N -0.57 0.41 0.03 2.37 3.64 -1.50 -0.75 116.57 120.19 3h23 h LYS 81 Ca -0.03 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.03 3h23 h LYS 81 Cb 0.42 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 3h23 h LYS 81 CO 0.05 0.27 -1.62 -0.09 -2.27 0.00 0.00 179.45 175.79 3h23 h ARG 82 N 0.42 0.06 0.00 1.90 2.43 -1.43 -3.28 114.38 114.48 3h23 h ARG 82 Ca 0.60 -0.10 -0.38 0.00 -0.81 0.00 0.00 59.98 59.29 3h23 h ARG 82 Cb 1.45 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.97 3h23 h ARG 82 CO -0.31 0.72 -2.40 1.55 -1.51 0.00 0.00 179.97 178.02 3h23 n VAL 83 N -3.19 1.44 -0.20 0.20 3.14 -0.38 -4.33 118.33 115.02 3h23 n VAL 83 Ca -0.16 -0.74 -0.07 0.00 -2.96 0.00 0.00 64.34 60.40 3h23 n VAL 83 Cb 1.04 -0.87 0.03 0.00 -1.06 0.00 0.00 33.84 32.98 3h23 n VAL 83 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3h23 h VAL 84 N 0.00 1.19 -0.98 1.55 2.07 -1.38 -1.73 116.25 116.97 3h23 h VAL 84 Ca -0.55 -0.49 0.13 0.00 0.82 0.00 0.00 66.70 66.61 3h23 h VAL 84 Cb 2.11 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 32.28 3h23 h VAL 84 CO -0.01 0.21 0.62 -0.65 0.02 0.00 0.00 177.57 177.75 3h23 h PRO 85 N 0.76 0.88 -0.22 1.57 0.11 -1.78 -0.99 132.00 132.32 3h23 h PRO 85 Ca 0.20 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 3h23 h PRO 85 Cb 0.06 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 3h23 h PRO 85 CO -0.03 0.58 -0.33 0.52 -0.21 0.00 0.00 178.00 178.53 3h23 h MET 86 N 0.91 0.60 -0.13 1.05 2.86 -1.67 -2.11 114.93 116.44 3h23 h MET 86 Ca 0.50 -0.36 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3h23 h MET 86 Cb 0.59 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 3h23 h MET 86 CO -0.27 0.97 0.03 0.82 1.06 0.00 0.00 176.91 179.52 3h23 h ILE 87 N 0.29 0.95 -0.36 -1.22 2.04 -1.14 0.45 117.51 118.52 3h23 h ILE 87 Ca 0.02 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3h23 h ILE 87 Cb 0.91 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3h23 h ILE 87 CO 0.08 0.02 0.22 1.56 0.00 0.00 0.00 178.15 180.02 3h23 h GLN 88 N 0.09 0.49 0.19 2.37 4.20 -1.18 0.47 115.11 121.73 3h23 h GLN 88 Ca 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3h23 h GLN 88 Cb 0.04 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3h23 h GLN 88 CO -0.07 0.37 -0.09 0.00 -0.67 0.00 0.00 178.83 178.37 3h23 h ALA 89 N 1.09 -0.25 -0.02 3.87 0.00 -1.32 -2.48 119.26 120.15 3h23 h ALA 89 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h23 h ALA 89 Cb 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3h23 h ALA 89 CO -0.02 -0.50 -0.01 0.28 0.00 0.00 0.00 179.25 178.99 3h23 h VAL 90 N -0.53 0.96 0.00 0.00 2.07 -0.77 -2.61 116.25 115.37 3h23 h VAL 90 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3h23 h VAL 90 Cb 0.40 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3h23 h VAL 90 CO 0.04 0.00 -0.12 0.77 0.02 0.00 0.00 177.57 178.28 3h23 h SER 91 N -0.02 0.00 1.38 0.57 4.64 -0.13 0.44 113.55 120.43 3h23 h SER 91 Ca 0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 3h23 h SER 91 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3h23 h SER 91 CO -0.03 0.12 -0.37 0.50 -0.87 0.00 0.00 176.83 176.18 3h23 h LYS 92 N 0.00 0.00 0.00 4.77 1.63 -1.31 -3.39 116.57 118.28 3h23 h LYS 92 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3h23 h LYS 92 Cb 0.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3h23 h LYS 92 CO 0.02 0.37 -1.07 0.39 -3.45 0.00 0.00 179.45 175.71 3h23 n GLU 93 N -3.27 0.87 -4.34 1.90 1.02 -0.52 -4.94 120.64 111.37 3h23 n GLU 93 Ca 0.02 -0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 3h23 n GLU 93 Cb 0.63 -1.05 -0.16 0.00 -0.02 0.00 0.00 31.44 30.83 3h23 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h23 s VAL 94 N -2.20 1.99 -1.32 2.62 1.01 0.14 -5.02 120.40 117.62 3h23 s VAL 94 Ca -0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 3h23 s VAL 94 Cb 0.03 -1.78 0.13 0.00 0.00 0.00 0.00 36.38 34.76 3h23 s VAL 94 CO 0.19 0.53 2.10 0.29 0.00 0.00 0.00 175.10 178.21 3h23 n LYS 95 N 4.40 3.84 -4.06 2.72 4.76 -1.26 -4.53 118.16 124.03 3h23 n LYS 95 Ca -0.20 -3.38 -0.08 0.00 -2.87 0.00 0.00 58.31 51.78 3h23 n LYS 95 Cb 0.51 -2.86 -0.10 0.00 -1.84 0.00 0.00 35.03 30.73 3h23 n LYS 95 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h23 s LEU 96 N -0.52 2.40 0.51 -0.35 1.43 -1.26 -5.13 118.68 115.76 3h23 s LEU 96 Ca 0.46 -0.82 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 3h23 s LEU 96 Cb 0.13 0.13 -0.06 0.00 0.03 0.00 0.00 46.19 46.41 3h23 s LEU 96 CO -0.03 -0.47 1.14 -2.84 0.23 0.00 0.00 176.35 174.37 3h23 s PRO 97 N -3.01 3.51 -0.16 1.29 0.02 -1.26 -4.87 135.00 130.53 3h23 s PRO 97 Ca -0.01 1.67 0.01 0.00 0.02 0.00 0.00 61.00 62.68 3h23 s PRO 97 Cb 0.01 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3h23 s PRO 97 CO -0.06 -0.74 -0.17 0.42 -0.33 0.00 0.00 177.00 176.13 3h23 s ILE 98 N -1.69 2.53 0.05 2.83 1.01 -1.26 -1.15 121.20 123.51 3h23 s ILE 98 Ca 0.69 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 3h23 s ILE 98 Cb -0.25 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 3h23 s ILE 98 CO 0.30 0.52 0.35 -0.94 0.00 0.00 0.00 174.94 175.17 3h23 s SER 99 N 0.87 6.60 -0.24 3.58 1.04 -0.11 -0.28 113.70 125.16 3h23 s SER 99 Ca -0.04 0.72 -0.09 0.00 0.48 0.00 0.00 55.95 57.01 3h23 s SER 99 Cb -0.15 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 3h23 s SER 99 CO -0.02 0.21 0.12 -0.51 0.98 0.00 0.00 173.24 174.03 3h23 s ILE 100 N -1.34 4.99 -0.49 -1.02 1.10 0.59 -1.72 121.20 123.30 3h23 s ILE 100 Ca 0.30 0.05 -0.23 0.00 -0.51 0.00 0.00 60.65 60.27 3h23 s ILE 100 Cb -0.14 -3.32 0.03 0.00 0.15 0.00 0.00 42.46 39.19 3h23 s ILE 100 CO 0.17 0.35 0.81 -0.62 -2.11 0.00 0.00 174.94 173.54 3h23 s ASP 101 N 1.16 6.36 -0.17 4.50 3.68 -0.60 -0.65 116.67 130.94 3h23 s ASP 101 Ca 0.06 -0.30 -0.30 0.00 2.13 0.00 0.00 52.55 54.14 3h23 s ASP 101 Cb -0.14 -2.39 0.13 0.00 -1.45 0.00 0.00 42.92 39.07 3h23 s ASP 101 CO 0.05 -1.00 1.02 0.28 0.13 0.00 0.00 175.17 175.64 3h23 s THR 102 N 3.39 0.00 -0.89 1.71 -1.32 -1.06 -4.27 115.64 113.19 3h23 s THR 102 Ca 0.28 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.85 3h23 s THR 102 Cb -0.13 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.05 3h23 s THR 102 CO 0.20 0.00 1.06 0.00 -2.21 0.00 0.00 174.62 173.67 3h23 n TYR 103 N 0.75 0.25 -3.85 9.09 0.18 -1.26 -4.00 117.16 118.32 3h23 n TYR 103 Ca -0.10 -0.33 -0.36 0.00 1.88 0.00 0.00 57.90 59.00 3h23 n TYR 103 Cb 0.58 -0.02 -0.10 0.00 -0.38 0.00 0.00 39.34 39.42 3h23 n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h23 s LYS 104 N -0.92 3.93 0.25 -3.48 1.02 -1.26 -3.80 119.74 115.48 3h23 s LYS 104 Ca 0.16 -0.35 -0.04 0.00 0.02 0.00 0.00 55.97 55.76 3h23 s LYS 104 Cb 0.09 -3.34 0.40 0.00 -0.52 0.00 0.00 37.83 34.46 3h23 s LYS 104 CO 0.12 0.10 1.81 0.00 -0.92 0.00 0.00 175.35 176.47 3h23 h ALA 105 N 7.31 1.20 -0.37 5.17 0.00 -1.92 -2.48 119.26 128.17 3h23 h ALA 105 Ca -0.37 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 3h23 h ALA 105 Cb 1.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3h23 h ALA 105 CO 0.66 0.11 -0.28 1.49 0.00 0.00 0.00 179.25 181.23 3h23 h GLU 106 N 0.81 0.85 -0.32 0.00 4.57 -1.96 -1.85 114.58 116.68 3h23 h GLU 106 Ca 0.40 -0.42 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3h23 h GLU 106 Cb 0.36 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 3h23 h GLU 106 CO -0.24 1.06 0.12 0.28 -1.18 0.00 0.00 179.01 179.04 3h23 h VAL 107 N 0.66 0.92 -0.39 0.32 2.07 -1.85 -2.67 116.25 115.30 3h23 h VAL 107 Ca 0.07 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.57 3h23 h VAL 107 Cb 0.86 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 3h23 h VAL 107 CO 0.08 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.72 3h23 h ALA 108 N 1.20 0.36 -0.20 1.67 0.00 -1.34 -1.31 119.26 119.64 3h23 h ALA 108 Ca 0.14 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3h23 h ALA 108 Cb 0.11 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3h23 h ALA 108 CO -0.14 -0.39 -0.02 -0.22 0.00 0.00 0.00 179.25 178.48 3h23 h LYS 109 N 0.11 0.04 -0.57 0.00 3.64 -1.22 -2.20 116.57 116.37 3h23 h LYS 109 Ca 0.19 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3h23 h LYS 109 Cb 0.26 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3h23 h LYS 109 CO -0.31 0.03 0.19 1.96 -2.27 0.00 0.00 179.45 179.05 3h23 h GLN 110 N 0.04 0.87 -0.78 1.90 1.08 -1.35 -2.56 115.11 114.32 3h23 h GLN 110 Ca 0.09 -0.18 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 3h23 h GLN 110 Cb 0.13 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 3h23 h GLN 110 CO -0.17 0.78 0.52 0.00 -0.95 0.00 0.00 178.83 179.00 3h23 h ALA 111 N 1.05 1.44 -0.23 3.87 0.00 -1.09 0.91 119.26 125.22 3h23 h ALA 111 Ca 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3h23 h ALA 111 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3h23 h ALA 111 CO -0.01 0.52 -0.02 0.82 0.00 0.00 0.00 179.25 180.56 3h23 h ILE 112 N 1.06 1.27 -0.80 0.00 2.04 -1.26 0.26 117.51 120.08 3h23 h ILE 112 Ca 0.29 -0.95 0.07 0.00 1.00 0.00 0.00 64.86 65.26 3h23 h ILE 112 Cb -0.12 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 3h23 h ILE 112 CO -0.06 0.29 0.47 -0.33 0.00 0.00 0.00 178.15 178.53 3h23 h GLU 113 N 0.17 0.82 0.00 2.37 4.39 -1.15 -1.61 114.58 119.56 3h23 h GLU 113 Ca 0.06 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3h23 h GLU 113 Cb 0.45 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3h23 h GLU 113 CO 0.02 0.54 0.00 0.00 -1.16 0.00 0.00 179.01 178.41 3h23 h ALA 114 N 1.40 1.00 0.00 3.43 0.00 -0.58 -3.47 119.26 121.05 3h23 h ALA 114 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3h23 h ALA 114 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h23 h ALA 114 CO -0.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.47 3h23 n GLY 115 N 0.17 -0.31 3.77 0.00 0.00 -0.20 -4.00 105.19 104.61 3h23 n GLY 115 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3h23 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h23 s ALA 116 N -0.67 3.40 -0.46 4.61 0.00 -0.09 -4.77 121.76 123.77 3h23 s ALA 116 Ca 0.00 1.24 0.20 0.00 0.00 0.00 0.00 51.96 53.41 3h23 s ALA 116 Cb 0.00 -3.48 -0.27 0.00 0.00 0.00 0.00 23.12 19.37 3h23 s ALA 116 CO 0.00 -0.71 0.64 0.72 0.00 0.00 0.00 175.76 176.42 3h23 n HIS 117 N 0.52 0.00 -3.97 0.00 -0.00 0.62 -4.42 115.22 107.97 3h23 n HIS 117 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.62 3h23 n HIS 117 Cb 0.43 -0.25 -0.13 0.00 -0.00 0.00 0.00 29.99 30.03 3h23 n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h23 s ILE 118 N -3.19 0.15 -0.19 1.59 1.01 -0.86 -3.95 121.20 115.75 3h23 s ILE 118 Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 3h23 s ILE 118 Cb 0.14 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.38 3h23 s ILE 118 CO 0.85 -0.14 0.09 -0.63 0.00 0.00 0.00 174.94 175.11 3h23 s ILE 119 N -0.51 5.00 -0.61 2.92 1.01 -0.84 -0.30 121.20 127.87 3h23 s ILE 119 Ca -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 3h23 s ILE 119 Cb -0.04 -3.26 0.16 0.00 0.01 0.00 0.00 42.46 39.33 3h23 s ILE 119 CO -0.00 0.46 0.40 0.21 0.00 0.00 0.00 174.94 176.01 3h23 s ASN 120 N 0.33 4.98 -0.39 3.58 2.47 0.17 0.20 114.94 126.28 3h23 s ASN 120 Ca 0.05 -2.97 -0.17 0.00 0.42 0.00 0.00 52.86 50.20 3h23 s ASN 120 Cb -0.12 -1.79 0.01 0.00 -1.45 0.00 0.00 41.25 37.90 3h23 s ASN 120 CO -0.01 -0.31 0.42 -0.62 -3.72 0.00 0.00 177.10 172.86 3h23 s ASP 121 N 0.31 6.20 0.31 -4.21 3.68 -0.46 -2.57 116.67 119.93 3h23 s ASP 121 Ca 0.18 -0.50 0.25 0.00 2.13 0.00 0.00 52.55 54.61 3h23 s ASP 121 Cb -0.21 -2.22 1.08 0.00 -1.45 0.00 0.00 42.92 40.12 3h23 s ASP 121 CO -0.03 -0.50 1.76 0.16 0.13 0.00 0.00 175.17 176.70 3h23 h ILE 122 N 5.66 0.00 -0.52 4.11 3.07 -1.83 -2.45 117.51 125.56 3h23 h ILE 122 Ca -0.28 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.88 3h23 h ILE 122 Cb 1.12 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3h23 h ILE 122 CO 0.76 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 178.65 3h23 n TRP 123 N -2.39 0.68 -3.81 0.16 7.02 -1.26 -4.53 117.44 113.31 3h23 n TRP 123 Ca 0.02 -0.39 -0.27 0.00 -1.02 0.00 0.00 57.50 55.83 3h23 n TRP 123 Cb 0.23 -0.01 0.04 0.00 -2.42 0.00 0.00 31.31 29.15 3h23 n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h23 n GLY 124 N 1.35 -0.44 2.45 6.99 0.00 -1.11 -1.15 105.19 113.28 3h23 n GLY 124 Ca 0.20 0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.34 3h23 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h23 n ALA 125 N -4.60 -0.09 -0.05 4.61 0.00 -1.26 -4.53 120.51 114.59 3h23 n ALA 125 Ca -0.06 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3h23 n ALA 125 Cb 0.57 -1.12 -0.16 0.00 0.00 0.00 0.00 19.45 18.75 3h23 n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h23 n LYS 126 N -1.72 0.67 -0.01 0.00 5.02 -0.30 -2.97 118.16 118.85 3h23 n LYS 126 Ca -0.06 -0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 55.98 3h23 n LYS 126 Cb 0.34 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.69 3h23 n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h23 h ALA 127 N 1.49 0.03 -2.87 7.82 0.00 -1.86 -3.41 119.26 120.46 3h23 h ALA 127 Ca -0.27 -0.54 -0.59 0.00 0.00 0.00 0.00 54.91 53.51 3h23 h ALA 127 Cb 1.63 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 19.06 3h23 h ALA 127 CO 0.02 0.23 -0.78 -1.21 0.00 0.00 0.00 179.25 177.50 3h23 s GLU 128 N -2.98 0.82 0.63 0.00 2.02 -1.25 -4.99 118.70 112.95 3h23 s GLU 128 Ca -0.15 -1.45 0.26 0.00 0.02 0.00 0.00 54.97 53.65 3h23 s GLU 128 Cb 0.02 -1.81 1.36 0.00 0.10 0.00 0.00 34.13 33.80 3h23 s GLU 128 CO 0.78 -1.13 1.78 -1.35 0.02 0.00 0.00 175.26 175.36 3h23 h PRO 129 N 7.26 0.00 -0.07 0.39 0.11 -1.77 -1.82 132.00 136.09 3h23 h PRO 129 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 3h23 h PRO 129 Cb 0.97 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3h23 h PRO 129 CO 0.40 0.00 0.03 0.87 -0.21 0.00 0.00 178.00 179.09 3h23 h LYS 130 N 0.00 0.09 -0.05 1.05 6.56 -1.94 -1.42 116.57 120.86 3h23 h LYS 130 Ca 0.11 -0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.71 3h23 h LYS 130 Cb 1.14 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.78 3h23 h LYS 130 CO -0.00 0.07 0.04 0.97 -2.06 0.00 0.00 179.45 178.48 3h23 h ILE 131 N 0.09 0.77 -0.36 1.86 2.10 -1.65 0.86 117.51 121.18 3h23 h ILE 131 Ca 0.03 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.90 3h23 h ILE 131 Cb 0.01 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 36.69 3h23 h ILE 131 CO -0.00 0.00 -0.05 0.00 -1.08 0.00 0.00 178.15 177.01 3h23 h ALA 132 N 1.96 1.23 -0.36 0.18 0.00 -1.45 -2.00 119.26 118.81 3h23 h ALA 132 Ca 0.02 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3h23 h ALA 132 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3h23 h ALA 132 CO -0.00 0.50 -0.32 0.93 0.00 0.00 0.00 179.25 180.36 3h23 h GLU 133 N 0.56 0.81 -0.24 0.00 5.08 -0.96 -0.56 114.58 119.26 3h23 h GLU 133 Ca 0.11 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3h23 h GLU 133 Cb 0.44 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3h23 h GLU 133 CO 0.02 1.01 0.10 0.28 -1.00 0.00 0.00 179.01 179.42 3h23 h VAL 134 N 0.68 0.96 0.52 3.13 2.07 -1.37 -1.79 116.25 120.45 3h23 h VAL 134 Ca 0.07 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3h23 h VAL 134 Cb 0.87 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3h23 h VAL 134 CO 0.08 0.04 -0.46 0.00 0.02 0.00 0.00 177.57 177.25 3h23 h ALA 135 N 1.14 -1.05 -0.80 1.67 0.00 -1.12 -1.97 119.26 117.12 3h23 h ALA 135 Ca 0.10 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.02 3h23 h ALA 135 Cb 0.05 0.64 -0.14 0.00 0.00 0.00 0.00 17.79 18.34 3h23 h ALA 135 CO -0.09 -1.13 0.04 0.00 0.00 0.00 0.00 179.25 178.07 3h23 h ALA 136 N -0.74 0.89 -0.06 0.00 0.00 -1.11 0.14 119.26 118.38 3h23 h ALA 136 Ca -0.06 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3h23 h ALA 136 Cb 0.83 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3h23 h ALA 136 CO -0.03 -0.44 -0.06 1.25 0.00 0.00 0.00 179.25 179.97 3h23 h HIS 137 N 0.11 0.17 0.00 0.00 6.17 -0.96 -2.95 115.15 117.69 3h23 h HIS 137 Ca 0.45 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.48 3h23 h HIS 137 Cb 0.83 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.73 3h23 h HIS 137 CO -0.42 0.60 0.00 0.66 0.71 0.00 0.00 177.93 179.48 3h23 n TYR 138 N -4.73 0.83 -3.23 5.26 4.01 -0.77 -4.94 117.16 113.58 3h23 n TYR 138 Ca -0.08 0.28 -0.16 0.00 -0.16 0.00 0.00 57.90 57.78 3h23 n TYR 138 Cb 0.30 -0.95 0.06 0.00 -0.31 0.00 0.00 39.34 38.44 3h23 n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h23 n ASP 139 N -2.21 -4.42 -4.81 7.72 2.03 0.47 -5.03 116.55 110.30 3h23 n ASP 139 Ca 0.04 -0.40 -0.29 0.00 0.52 0.00 0.00 54.79 54.66 3h23 n ASP 139 Cb 0.33 -3.79 -0.06 0.00 -0.72 0.00 0.00 41.12 36.89 3h23 n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3h23 s VAL 140 N -3.24 4.71 0.35 5.18 -7.23 -1.13 -4.96 120.40 114.08 3h23 s VAL 140 Ca 0.32 -0.78 -0.28 0.00 -1.81 0.00 0.00 61.98 59.43 3h23 s VAL 140 Cb -0.14 -3.32 -0.10 0.00 0.56 0.00 0.00 36.38 33.38 3h23 s VAL 140 CO 0.53 0.06 1.31 -2.84 -0.31 0.00 0.00 175.10 173.84 3h23 s PRO 141 N -2.64 4.24 -0.07 4.82 0.02 -1.25 -4.81 135.00 135.31 3h23 s PRO 141 Ca 0.31 2.21 0.03 0.00 0.02 0.00 0.00 61.00 63.57 3h23 s PRO 141 Cb -0.12 -2.97 0.01 0.00 0.02 0.00 0.00 34.50 31.44 3h23 s PRO 141 CO 0.24 -0.29 -0.15 -1.50 -0.33 0.00 0.00 177.00 174.97 3h23 s ILE 142 N -1.18 1.32 -0.25 2.83 2.07 -0.11 -1.99 121.20 123.90 3h23 s ILE 142 Ca 0.51 -0.60 -0.17 0.00 -1.41 0.00 0.00 60.65 58.99 3h23 s ILE 142 Cb -0.39 -1.18 -0.03 0.00 0.13 0.00 0.00 42.46 40.98 3h23 s ILE 142 CO 0.52 0.39 0.44 -0.63 -1.91 0.00 0.00 174.94 173.76 3h23 s ILE 143 N 0.48 5.13 -0.51 2.00 1.01 0.13 -1.91 121.20 127.54 3h23 s ILE 143 Ca -0.13 0.75 -0.14 0.00 0.00 0.00 0.00 60.65 61.13 3h23 s ILE 143 Cb -0.15 -3.77 0.11 0.00 0.01 0.00 0.00 42.46 38.67 3h23 s ILE 143 CO 0.04 0.15 0.43 -0.76 0.00 0.00 0.00 174.94 174.80 3h23 s LEU 144 N 1.99 5.92 0.18 2.97 1.43 0.56 -1.36 118.68 130.37 3h23 s LEU 144 Ca 0.19 -1.70 -0.18 0.00 -1.03 0.00 0.00 54.13 51.40 3h23 s LEU 144 Cb -0.15 -2.15 -0.08 0.00 0.03 0.00 0.00 46.19 43.84 3h23 s LEU 144 CO 0.09 -0.77 0.66 -0.32 0.23 0.00 0.00 176.35 176.24 3h23 s MET 145 N 1.55 4.17 0.18 1.70 1.75 -0.94 -2.40 119.30 125.31 3h23 s MET 145 Ca 0.04 0.75 -0.30 0.00 -1.25 0.00 0.00 55.69 54.92 3h23 s MET 145 Cb -0.28 -2.93 -0.09 0.00 2.84 0.00 0.00 34.83 34.37 3h23 s MET 145 CO 0.03 0.45 1.33 -1.58 -0.65 0.00 0.00 175.02 174.60 3h23 s HIS 146 N -1.46 3.24 0.03 4.11 2.46 0.91 -3.80 115.29 120.79 3h23 s HIS 146 Ca 0.40 1.15 -0.27 0.00 0.47 0.00 0.00 55.06 56.81 3h23 s HIS 146 Cb -0.17 -3.63 0.08 0.00 -0.13 0.00 0.00 32.58 28.74 3h23 s HIS 146 CO 0.20 -2.04 0.73 1.21 -2.47 0.00 0.00 174.74 172.37 3h23 s ASN 147 N 0.52 -0.53 0.21 9.88 3.84 -1.26 -3.95 114.94 123.66 3h23 s ASN 147 Ca 0.59 0.25 -0.23 0.00 0.21 0.00 0.00 52.86 53.67 3h23 s ASN 147 Cb -0.37 0.51 0.05 0.00 -0.55 0.00 0.00 41.25 40.89 3h23 s ASN 147 CO 0.37 -0.73 0.88 0.00 -2.79 0.00 0.00 177.10 174.82 3h23 s ARG 148 N -2.61 1.48 -0.19 0.43 1.70 -1.26 -5.05 118.95 113.45 3h23 s ARG 148 Ca -0.02 -0.84 0.16 0.00 -0.47 0.00 0.00 55.73 54.56 3h23 s ARG 148 Cb -0.01 0.49 0.77 0.00 -0.57 0.00 0.00 34.95 35.63 3h23 s ARG 148 CO -0.04 -0.68 1.69 -0.40 -1.08 0.00 0.00 175.30 174.79 3h23 n ASP 149 N -0.59 5.30 -3.46 -2.89 5.75 -1.26 -4.63 116.55 114.77 3h23 n ASP 149 Ca -0.05 -2.78 -0.12 0.00 -0.01 0.00 0.00 54.79 51.83 3h23 n ASP 149 Cb 0.60 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 3h23 n ASP 149 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3h23 s ASN 150 N -0.91 -0.52 -0.37 -1.12 2.20 -1.26 -5.04 114.94 107.92 3h23 s ASN 150 Ca 0.53 -0.02 0.06 0.00 -0.94 0.00 0.00 52.86 52.49 3h23 s ASN 150 Cb 0.38 0.58 0.49 0.00 -2.00 0.00 0.00 41.25 40.70 3h23 s ASN 150 CO 0.18 -0.93 1.53 0.23 -2.94 0.00 0.00 177.10 175.17 3h23 n MET 151 N -0.29 2.48 -3.24 3.55 2.81 -1.26 -4.89 117.12 116.28 3h23 n MET 151 Ca -0.17 -3.47 -0.46 0.00 -1.81 0.00 0.00 57.70 51.80 3h23 n MET 151 Cb 0.64 -2.05 -0.01 0.00 -0.71 0.00 0.00 33.22 31.09 3h23 n MET 151 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3h23 s ASN 152 N -2.63 6.95 -0.08 7.83 -0.87 -1.26 -5.00 114.94 119.88 3h23 s ASN 152 Ca 0.51 -2.91 -0.04 0.00 -1.57 0.00 0.00 52.86 48.86 3h23 s ASN 152 Cb 0.43 -2.25 -0.04 0.00 -0.02 0.00 0.00 41.25 39.37 3h23 s ASN 152 CO 0.01 -0.57 0.08 -0.31 -2.57 0.00 0.00 177.10 173.74 3h23 s TYR 153 N 0.21 3.37 0.08 2.20 1.51 -1.26 -4.99 117.35 118.47 3h23 s TYR 153 Ca 0.26 0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 56.63 3h23 s TYR 153 Cb -0.09 -1.84 -0.27 0.00 -0.11 0.00 0.00 41.96 39.65 3h23 s TYR 153 CO -0.08 0.60 1.14 -0.09 -1.11 0.00 0.00 175.55 176.01 3h23 h ARG 154 N 4.81 0.23 -0.65 -0.62 2.43 -2.01 -3.44 114.38 115.14 3h23 h ARG 154 Ca -0.52 -0.40 0.11 0.00 -0.81 0.00 0.00 59.98 58.36 3h23 h ARG 154 Cb 1.20 0.15 -0.20 0.00 -0.42 0.00 0.00 29.97 30.70 3h23 h ARG 154 CO 0.58 1.18 -0.21 1.21 -1.51 0.00 0.00 179.97 181.22 3h23 s ASN 155 N -7.07 -1.05 0.19 -3.80 3.84 -1.26 -5.07 114.94 100.72 3h23 s ASN 155 Ca -0.04 0.07 -0.25 0.00 0.21 0.00 0.00 52.86 52.86 3h23 s ASN 155 Cb 0.07 1.64 0.07 0.00 -0.55 0.00 0.00 41.25 42.48 3h23 s ASN 155 CO 0.87 -0.19 1.54 -0.11 -2.79 0.00 0.00 177.10 176.43 3h23 n LEU 156 N 5.17 -0.87 -0.13 3.21 7.94 -1.26 -0.77 117.00 130.29 3h23 n LEU 156 Ca 0.07 1.76 -0.13 0.00 -1.11 0.00 0.00 56.01 56.60 3h23 n LEU 156 Cb 0.56 -0.31 -0.02 0.00 0.53 0.00 0.00 43.42 44.18 3h23 n LEU 156 CO -0.10 -1.50 0.57 0.24 -1.11 0.00 0.00 177.39 175.49 3h23 h MET 157 N 0.00 0.93 -0.66 1.96 2.86 -1.98 0.17 114.93 118.21 3h23 h MET 157 Ca 0.25 -0.47 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 3h23 h MET 157 Cb 0.50 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 3h23 h MET 157 CO -0.96 1.13 0.30 0.00 1.06 0.00 0.00 176.91 178.44 3h23 h ALA 158 N 0.79 0.85 -0.60 6.32 0.00 -1.86 -1.96 119.26 122.81 3h23 h ALA 158 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3h23 h ALA 158 Cb 0.93 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3h23 h ALA 158 CO 0.09 0.43 0.12 -0.44 0.00 0.00 0.00 179.25 179.45 3h23 h ASP 159 N 0.92 0.94 -0.28 0.00 3.32 -0.72 -1.31 116.42 119.28 3h23 h ASP 159 Ca 0.22 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.04 3h23 h ASP 159 Cb 0.15 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3h23 h ASP 159 CO -0.03 0.95 0.15 0.24 -1.72 0.00 0.00 179.24 178.83 3h23 h MET 160 N 0.89 0.31 -0.07 3.56 2.86 -0.51 -0.34 114.93 121.64 3h23 h MET 160 Ca 0.19 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3h23 h MET 160 Cb 0.39 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 3h23 h MET 160 CO 0.01 0.21 0.04 0.82 1.06 0.00 0.00 176.91 179.05 3h23 h ILE 161 N 0.32 1.02 -0.47 -1.22 2.04 -1.32 0.29 117.51 118.18 3h23 h ILE 161 Ca 0.11 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 66.02 3h23 h ILE 161 Cb 0.01 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 3h23 h ILE 161 CO -0.06 0.02 -0.07 0.00 0.00 0.00 0.00 178.15 178.04 3h23 h ALA 162 N 1.02 0.37 -0.59 1.87 0.00 -1.17 0.14 119.26 120.89 3h23 h ALA 162 Ca 0.02 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3h23 h ALA 162 Cb -0.00 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3h23 h ALA 162 CO -0.01 -0.42 0.16 -0.44 0.00 0.00 0.00 179.25 178.54 3h23 h ASP 163 N 0.04 0.85 0.26 0.00 3.32 -0.84 -2.08 116.42 117.97 3h23 h ASP 163 Ca 0.23 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3h23 h ASP 163 Cb 0.35 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3h23 h ASP 163 CO -0.45 0.81 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.37 3h23 h LEU 164 N 0.88 0.25 -0.65 1.55 3.38 0.64 -2.82 115.31 118.54 3h23 h LEU 164 Ca 0.19 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3h23 h LEU 164 Cb 0.29 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3h23 h LEU 164 CO -0.00 0.67 -0.08 0.22 0.09 0.00 0.00 178.44 179.33 3h23 h TYR 165 N 0.20 1.07 -0.99 1.13 3.20 -0.41 -1.72 116.97 119.45 3h23 h TYR 165 Ca 0.01 -0.21 0.15 0.00 3.14 0.00 0.00 58.73 61.83 3h23 h TYR 165 Cb 0.88 -0.27 -0.09 0.00 1.54 0.00 0.00 36.73 38.78 3h23 h TYR 165 CO 0.02 0.99 0.62 -0.44 -1.64 0.00 0.00 178.16 177.71 3h23 h ASP 166 N 0.87 0.83 -0.13 -2.11 3.32 -1.15 0.41 116.42 118.47 3h23 h ASP 166 Ca 0.14 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3h23 h ASP 166 Cb 0.63 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3h23 h ASP 166 CO 0.04 0.38 -0.04 0.28 -1.72 0.00 0.00 179.24 178.17 3h23 h SER 167 N 0.85 0.26 -0.45 6.45 0.02 -1.25 -2.70 113.55 116.73 3h23 h SER 167 Ca 0.53 -0.39 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3h23 h SER 167 Cb 0.71 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 3h23 h SER 167 CO -0.31 0.59 0.22 0.40 -1.14 0.00 0.00 176.83 176.60 3h23 h ILE 168 N -0.07 0.96 -0.52 3.27 2.04 -0.97 -1.65 117.51 120.57 3h23 h ILE 168 Ca 0.03 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.81 3h23 h ILE 168 Cb 0.49 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 3h23 h ILE 168 CO 0.02 0.08 0.19 0.50 0.00 0.00 0.00 178.15 178.94 3h23 h LYS 169 N 0.45 0.36 -0.53 2.37 1.63 -0.96 -0.48 116.57 119.41 3h23 h LYS 169 Ca 0.20 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.00 3h23 h LYS 169 Cb 0.11 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 3h23 h LYS 169 CO -0.14 0.24 0.32 0.82 -3.45 0.00 0.00 179.45 177.24 3h23 h ILE 170 N 0.37 1.06 -0.13 2.00 2.04 -1.10 -1.48 117.51 120.28 3h23 h ILE 170 Ca 0.25 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3h23 h ILE 170 Cb 0.26 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3h23 h ILE 170 CO -0.25 0.12 0.05 0.00 0.00 0.00 0.00 178.15 178.07 3h23 h ALA 171 N 1.23 0.17 -0.23 1.87 0.00 -1.09 -2.64 119.26 118.57 3h23 h ALA 171 Ca 0.21 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3h23 h ALA 171 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h23 h ALA 171 CO -0.09 -0.24 -0.43 0.87 0.00 0.00 0.00 179.25 179.36 3h23 h LYS 172 N 0.06 0.56 -0.96 0.00 1.57 -0.96 -1.18 116.57 115.66 3h23 h LYS 172 Ca 0.04 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3h23 h LYS 172 Cb 0.17 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 3h23 h LYS 172 CO -0.00 0.88 0.60 -0.44 -0.57 0.00 0.00 179.45 179.92 3h23 h ASP 173 N 0.45 1.13 0.51 0.86 3.45 -1.30 -0.79 116.42 120.74 3h23 h ASP 173 Ca 0.03 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3h23 h ASP 173 Cb 0.93 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3h23 h ASP 173 CO 0.08 0.85 0.00 0.00 -1.57 0.00 0.00 179.24 178.60 3h23 n ALA 174 N -2.39 1.83 -0.27 3.45 0.00 -1.00 -4.89 120.51 117.24 3h23 n ALA 174 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3h23 n ALA 174 Cb 0.04 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3h23 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h23 n GLY 175 N 0.25 0.84 3.71 0.00 0.00 -0.30 -4.74 105.19 104.95 3h23 n GLY 175 Ca 0.05 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3h23 n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h23 s VAL 176 N -2.00 3.04 0.35 1.61 1.01 -0.48 -4.76 120.40 119.17 3h23 s VAL 176 Ca 0.00 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 62.46 3h23 s VAL 176 Cb 0.00 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 3h23 s VAL 176 CO 0.00 0.05 0.93 -0.13 0.00 0.00 0.00 175.10 175.94 3h23 s ARG 177 N 1.32 4.43 0.32 2.72 0.52 -1.26 -4.31 118.95 122.68 3h23 s ARG 177 Ca 0.67 1.21 0.05 0.00 -0.52 0.00 0.00 55.73 57.15 3h23 s ARG 177 Cb -0.39 -2.59 0.86 0.00 0.52 0.00 0.00 34.95 33.34 3h23 s ARG 177 CO 0.31 0.18 1.59 -0.44 0.02 0.00 0.00 175.30 176.96 3h23 h ASP 178 N 2.74 -0.22 0.36 0.23 3.32 -1.97 0.64 116.42 121.53 3h23 h ASP 178 Ca -0.48 0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3h23 h ASP 178 Cb 1.19 0.40 0.00 0.00 0.22 0.00 0.00 39.33 41.13 3h23 h ASP 178 CO 0.64 -0.33 0.00 -0.62 -1.72 0.00 0.00 179.24 177.21 3h23 n GLU 179 N -5.39 0.09 -0.19 3.56 4.71 -1.26 -1.82 120.64 120.34 3h23 n GLU 179 Ca 0.26 0.22 0.06 0.00 -0.01 0.00 0.00 57.16 57.69 3h23 n GLU 179 Cb 0.85 -1.50 0.17 0.00 -1.01 0.00 0.00 31.44 29.94 3h23 n GLU 179 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3h23 n ASN 180 N -1.40 3.02 -4.67 1.62 5.03 0.21 -4.81 115.26 114.26 3h23 n ASN 180 Ca 0.05 -1.99 -0.36 0.00 0.87 0.00 0.00 54.58 53.15 3h23 n ASN 180 Cb 0.13 -0.26 -0.09 0.00 -1.02 0.00 0.00 39.78 38.55 3h23 n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h23 s ILE 181 N -1.00 5.27 -0.07 2.41 1.01 -0.76 -0.93 121.20 127.12 3h23 s ILE 181 Ca 0.26 0.14 0.04 0.00 0.00 0.00 0.00 60.65 61.09 3h23 s ILE 181 Cb 0.13 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 3h23 s ILE 181 CO 0.18 0.39 -0.21 -0.63 0.00 0.00 0.00 174.94 174.67 3h23 s ILE 182 N 0.75 1.77 0.32 2.92 1.01 -0.81 -4.18 121.20 122.97 3h23 s ILE 182 Ca 0.07 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.91 3h23 s ILE 182 Cb -0.13 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3h23 s ILE 182 CO 0.02 0.50 0.43 -0.76 0.00 0.00 0.00 174.94 175.13 3h23 s LEU 183 N 0.25 4.00 -0.19 2.97 1.43 0.70 -0.32 118.68 127.52 3h23 s LEU 183 Ca -0.12 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 3h23 s LEU 183 Cb -0.16 -2.72 0.06 0.00 0.03 0.00 0.00 46.19 43.41 3h23 s LEU 183 CO 0.06 -0.36 0.46 -0.62 0.23 0.00 0.00 176.35 176.12 3h23 s ASP 184 N -4.12 -0.59 0.00 2.29 3.68 -1.01 -0.39 116.67 116.53 3h23 s ASP 184 Ca 0.43 1.01 0.24 0.00 2.13 0.00 0.00 52.55 56.36 3h23 s ASP 184 Cb -0.09 0.92 1.44 0.00 -1.45 0.00 0.00 42.92 43.74 3h23 s ASP 184 CO 0.30 -0.20 1.82 -0.81 0.13 0.00 0.00 175.17 176.41 3h23 n PRO 185 N 4.33 0.80 -3.50 4.34 -0.04 -1.26 -0.06 135.00 139.62 3h23 n PRO 185 Ca -0.22 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.04 3h23 n PRO 185 Cb 0.56 -1.47 0.06 0.00 -0.04 0.00 0.00 33.50 32.61 3h23 n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h23 n GLY 186 N 0.59 -0.62 3.72 0.55 0.00 -1.25 -4.46 105.19 103.70 3h23 n GLY 186 Ca 0.18 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 3h23 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h23 s ILE 187 N -3.48 2.45 0.00 -0.61 -1.09 -1.26 -1.77 121.20 115.43 3h23 s ILE 187 Ca 0.17 0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.89 3h23 s ILE 187 Cb -0.04 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 3h23 s ILE 187 CO 0.77 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 175.11 3h23 n GLY 188 N 3.86 0.70 2.99 6.18 0.00 -1.26 -4.90 105.19 112.76 3h23 n GLY 188 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3h23 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h23 s PHE 189 N -2.54 2.12 -1.37 1.61 0.40 -0.73 -4.67 117.98 112.80 3h23 s PHE 189 Ca 0.00 -1.25 -0.02 0.00 -0.60 0.00 0.00 56.93 55.06 3h23 s PHE 189 Cb 0.00 -1.55 -0.00 0.00 0.51 0.00 0.00 43.02 41.98 3h23 s PHE 189 CO 0.00 -0.67 0.48 0.00 0.70 0.00 0.00 175.22 175.73 3h23 n ALA 190 N 4.78 -2.06 -3.53 5.36 0.00 -1.26 -4.72 120.51 119.07 3h23 n ALA 190 Ca -0.16 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 52.91 3h23 n ALA 190 Cb 0.49 -1.75 -0.09 0.00 0.00 0.00 0.00 19.45 18.09 3h23 n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h23 s LYS 191 N -6.44 0.53 0.77 0.00 1.02 -1.26 -4.66 119.74 109.69 3h23 s LYS 191 Ca 0.04 0.79 -0.12 0.00 0.02 0.00 0.00 55.97 56.71 3h23 s LYS 191 Cb -0.02 0.15 0.05 0.00 -0.52 0.00 0.00 37.83 37.50 3h23 s LYS 191 CO 0.88 -0.11 1.11 0.95 -0.92 0.00 0.00 175.35 177.26 3h23 s THR 192 N 0.85 2.97 0.37 2.17 -4.23 -1.26 -4.77 115.64 111.75 3h23 s THR 192 Ca -0.05 0.32 0.14 0.00 -1.18 0.00 0.00 61.69 60.92 3h23 s THR 192 Cb -0.05 -3.20 0.36 0.00 1.34 0.00 0.00 72.50 70.94 3h23 s THR 192 CO -0.07 -0.41 1.80 -0.65 -0.54 0.00 0.00 174.62 174.74 3h23 h PRO 193 N -0.94 0.50 -0.02 3.99 0.11 -1.98 0.10 132.00 133.76 3h23 h PRO 193 Ca -0.46 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.37 3h23 h PRO 193 Cb 1.28 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.29 3h23 h PRO 193 CO 0.62 0.33 -0.96 0.93 -0.21 0.00 0.00 178.00 178.72 3h23 h GLU 194 N 0.52 0.59 -0.11 1.05 3.07 -1.98 -2.90 114.58 114.82 3h23 h GLU 194 Ca 0.55 -0.61 -0.08 0.00 -0.50 0.00 0.00 59.36 58.73 3h23 h GLU 194 Cb 1.21 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 29.28 3h23 h GLU 194 CO -0.29 1.22 -0.29 1.96 -1.40 0.00 0.00 179.01 180.20 3h23 h GLN 195 N 0.35 0.21 -0.71 2.33 4.20 -1.63 -1.44 115.11 118.41 3h23 h GLN 195 Ca -0.10 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 3h23 h GLN 195 Cb 1.59 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.33 3h23 h GLN 195 CO 0.18 0.49 0.24 -0.91 -0.67 0.00 0.00 178.83 178.15 3h23 h ASN 196 N 0.18 1.02 -0.42 1.46 2.35 -0.97 -0.56 115.58 118.63 3h23 h ASN 196 Ca 0.03 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.46 3h23 h ASN 196 Cb 0.62 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3h23 h ASN 196 CO 0.04 0.94 -0.26 -0.07 -1.65 0.00 0.00 177.43 176.43 3h23 h LEU 197 N 1.05 0.97 -0.57 1.61 3.38 -1.23 -2.03 115.31 118.49 3h23 h LEU 197 Ca 0.23 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 3h23 h LEU 197 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3h23 h LEU 197 CO -0.01 1.18 -0.04 -0.08 0.09 0.00 0.00 178.44 179.58 3h23 h GLU 198 N 0.76 1.04 -0.04 1.13 4.81 -1.12 0.25 114.58 121.41 3h23 h GLU 198 Ca 0.09 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3h23 h GLU 198 Cb 0.84 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 3h23 h GLU 198 CO 0.07 1.04 0.02 0.00 -0.73 0.00 0.00 179.01 179.42 3h23 h ALA 199 N 0.96 0.05 -0.96 2.92 0.00 -1.12 -2.34 119.26 118.77 3h23 h ALA 199 Ca 0.16 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.12 3h23 h ALA 199 Cb 0.60 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 3h23 h ALA 199 CO 0.04 -0.38 0.59 0.52 0.00 0.00 0.00 179.25 180.01 3h23 h MET 200 N -0.06 0.88 0.00 0.00 2.86 -1.23 -1.54 114.93 115.84 3h23 h MET 200 Ca 0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3h23 h MET 200 Cb 0.13 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.59 3h23 h MET 200 CO -0.00 0.59 0.00 -0.09 1.06 0.00 0.00 176.91 178.46 3h23 h ARG 201 N 0.91 0.00 0.00 1.72 2.43 -0.69 -3.24 114.38 115.51 3h23 h ARG 201 Ca 0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 3h23 h ARG 201 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3h23 h ARG 201 CO -0.28 0.00 -0.10 0.09 -1.51 0.00 0.00 179.97 178.16 3h23 n ASN 202 N -2.63 1.79 0.27 -3.80 3.02 -0.68 -4.84 115.26 108.39 3h23 n ASN 202 Ca 0.02 -2.75 0.10 0.00 -0.03 0.00 0.00 54.58 51.91 3h23 n ASN 202 Cb 0.29 -0.35 0.71 0.00 -0.61 0.00 0.00 39.78 39.83 3h23 n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h23 h LEU 203 N 0.00 0.00 -2.65 3.41 3.38 -1.35 -2.51 115.31 115.60 3h23 h LEU 203 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h23 h LEU 203 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3h23 h LEU 203 CO 0.00 0.01 0.03 1.05 0.09 0.00 0.00 178.44 179.62 3h23 h GLU 204 N 0.00 0.00 0.00 1.13 9.09 -1.89 -1.51 114.58 121.41 3h23 h GLU 204 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3h23 h GLU 204 Cb 0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.12 3h23 h GLU 204 CO 0.00 0.00 -0.03 1.96 0.05 0.00 0.00 179.01 180.99 3h23 h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.79 -2.05 115.11 116.53 3h23 h GLN 205 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h23 h GLN 205 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3h23 h GLN 205 CO 0.00 0.03 0.00 -0.07 -0.67 0.00 0.00 178.83 178.12 3h23 h LEU 206 N 0.00 0.00 -1.71 1.46 3.38 -1.50 -2.92 115.31 114.02 3h23 h LEU 206 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3h23 h LEU 206 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3h23 h LEU 206 CO 0.00 0.00 -0.18 0.78 0.09 0.00 0.00 178.44 179.13 3h23 h ASN 207 N 0.00 0.00 0.00 -0.43 2.35 -1.54 -2.55 115.58 113.42 3h23 h ASN 207 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h23 h ASN 207 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3h23 h ASN 207 CO 0.00 0.18 0.13 -0.37 -1.65 0.00 0.00 177.43 175.72 3h23 h VAL 208 N 0.00 0.00 0.00 2.81 -1.51 -1.69 -1.71 116.25 114.15 3h23 h VAL 208 Ca -0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.41 3h23 h VAL 208 Cb 0.36 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 3h23 h VAL 208 CO 0.02 0.00 -0.25 -0.07 -1.23 0.00 0.00 177.57 176.04 3h23 h LEU 209 N 0.00 0.00 0.00 4.19 4.07 -1.68 -3.47 115.31 118.42 3h23 h LEU 209 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3h23 h LEU 209 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 3h23 h LEU 209 CO 0.00 0.25 0.00 0.61 -1.08 0.00 0.00 178.44 178.22 3h23 n GLY 210 N 0.37 0.55 3.52 0.83 0.00 -0.64 -5.08 105.19 104.74 3h23 n GLY 210 Ca 0.01 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 3h23 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h23 s TYR 211 N -2.00 2.43 0.63 1.61 1.51 -1.26 -5.12 117.35 115.14 3h23 s TYR 211 Ca 0.00 -0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 55.59 3h23 s TYR 211 Cb 0.00 -1.09 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 3h23 s TYR 211 CO 0.00 0.64 1.22 -2.14 -1.11 0.00 0.00 175.55 174.16 3h23 s PRO 212 N -3.37 2.77 -0.08 -1.71 0.02 -1.26 -4.84 135.00 126.53 3h23 s PRO 212 Ca 0.29 1.84 0.03 0.00 0.02 0.00 0.00 61.00 63.18 3h23 s PRO 212 Cb -0.06 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3h23 s PRO 212 CO 0.16 -1.37 -0.19 0.08 -0.33 0.00 0.00 177.00 175.35 3h23 s VAL 213 N -1.64 1.66 -0.11 3.83 1.01 -1.26 -0.21 120.40 123.68 3h23 s VAL 213 Ca 0.78 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 3h23 s VAL 213 Cb -0.31 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3h23 s VAL 213 CO 0.36 0.47 0.10 -0.22 0.00 0.00 0.00 175.10 175.81 3h23 s LEU 214 N 0.45 4.15 -0.18 3.92 0.20 0.48 -0.81 118.68 126.88 3h23 s LEU 214 Ca -0.16 0.37 -0.02 0.00 0.69 0.00 0.00 54.13 55.01 3h23 s LEU 214 Cb -0.17 -2.00 -0.01 0.00 -0.43 0.00 0.00 46.19 43.59 3h23 s LEU 214 CO 0.06 0.39 -0.10 -0.22 -0.29 0.00 0.00 176.35 176.20 3h23 s LEU 215 N -0.95 2.70 -0.30 -0.68 2.96 0.66 -4.21 118.68 118.86 3h23 s LEU 215 Ca 0.14 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3h23 s LEU 215 Cb -0.12 -1.65 0.07 0.00 0.50 0.00 0.00 46.19 44.99 3h23 s LEU 215 CO 0.03 0.05 -0.01 -0.83 -1.32 0.00 0.00 176.35 174.27 3h23 s GLY 216 N 1.04 1.78 0.00 7.98 0.00 -1.26 -0.26 107.32 116.60 3h23 s GLY 216 Ca -0.00 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 42.71 3h23 s GLY 216 CO -0.02 0.75 0.01 -1.30 0.00 0.00 0.00 173.10 172.54 3h23 n THR 217 N 4.46 0.00 -1.70 0.90 -2.24 -1.26 -4.39 114.28 110.05 3h23 n THR 217 Ca -0.09 -0.24 -0.54 0.00 -2.27 0.00 0.00 64.05 60.91 3h23 n THR 217 Cb 0.42 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 3h23 n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h23 n SER 218 N -0.47 2.68 -1.64 3.42 2.88 -1.26 -1.49 113.62 117.74 3h23 n SER 218 Ca 0.00 1.05 -0.17 0.00 -1.33 0.00 0.00 58.87 58.42 3h23 n SER 218 Cb 0.00 -1.21 -0.06 0.00 -0.75 0.00 0.00 64.21 62.19 3h23 n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h23 n ARG 219 N 5.61 -1.46 -2.23 -1.46 1.74 -1.26 -4.90 116.66 112.70 3h23 n ARG 219 Ca 0.25 0.97 -0.33 0.00 -0.77 0.00 0.00 57.85 57.97 3h23 n ARG 219 Cb 0.18 -5.34 -0.01 0.00 -1.02 0.00 0.00 32.46 26.28 3h23 n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h23 s LYS 220 N -3.69 3.52 0.46 5.56 1.02 -0.56 -4.92 119.74 121.13 3h23 s LYS 220 Ca 0.00 1.23 0.30 0.00 0.02 0.00 0.00 55.97 57.52 3h23 s LYS 220 Cb 0.00 -2.06 1.38 0.00 -0.52 0.00 0.00 37.83 36.63 3h23 s LYS 220 CO 0.00 -0.65 1.70 1.03 -0.92 0.00 0.00 175.35 176.51 3h23 h SER 221 N 0.83 0.23 1.13 2.83 0.87 -1.92 -2.03 113.55 115.49 3h23 h SER 221 Ca -0.48 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.12 3h23 h SER 221 Cb 1.22 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 3h23 h SER 221 CO 0.58 -0.05 -0.21 2.19 -0.53 0.00 0.00 176.83 178.82 3h23 h PHE 222 N 0.15 0.00 -0.18 2.24 -5.15 -1.94 -1.45 116.94 110.62 3h23 h PHE 222 Ca 0.72 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 58.41 3h23 h PHE 222 Cb 2.31 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.48 3h23 h PHE 222 CO -0.00 0.21 -0.19 0.82 -2.00 0.00 0.00 178.31 177.14 3h23 h ILE 223 N 0.00 1.34 -0.79 0.88 2.04 -1.74 -2.47 117.51 116.77 3h23 h ILE 223 Ca -0.00 -1.37 0.05 0.00 1.00 0.00 0.00 64.86 64.55 3h23 h ILE 223 Cb 0.83 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 3h23 h ILE 223 CO 0.03 0.41 0.52 1.23 0.00 0.00 0.00 178.15 180.34 3h23 h GLY 224 N 0.10 1.10 1.53 5.37 0.00 -1.46 0.22 103.07 109.94 3h23 h GLY 224 Ca 0.03 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.84 3h23 h GLY 224 CO 0.05 0.28 -0.57 0.84 0.00 0.00 0.00 176.54 177.14 3h23 h HIS 225 N 0.89 0.62 -0.01 5.60 -0.00 -1.19 0.13 115.15 121.19 3h23 h HIS 225 Ca 0.33 -0.22 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 3h23 h HIS 225 Cb 0.18 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 3h23 h HIS 225 CO -0.00 0.94 -0.04 0.28 -0.00 0.00 0.00 177.93 179.11 3h23 h VAL 226 N 0.37 1.48 0.00 5.26 2.07 -1.13 -3.36 116.25 120.94 3h23 h VAL 226 Ca 0.00 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 3h23 h VAL 226 Cb 1.10 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 3h23 h VAL 226 CO 0.10 0.38 -0.96 -0.07 0.02 0.00 0.00 177.57 177.04 3h23 h LEU 227 N -0.54 0.00 -2.17 2.57 3.38 -1.01 -3.49 115.31 114.06 3h23 h LEU 227 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3h23 h LEU 227 Cb 0.65 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.56 3h23 h LEU 227 CO 0.01 0.13 -0.70 -0.67 0.09 0.00 0.00 178.44 177.30 3h23 n ASP 228 N -2.78 -4.26 -4.05 -0.43 2.03 0.46 -5.05 116.55 102.47 3h23 n ASP 228 Ca -0.01 -0.57 -0.20 0.00 0.52 0.00 0.00 54.79 54.52 3h23 n ASP 228 Cb 0.61 -4.50 -0.15 0.00 -0.72 0.00 0.00 41.12 36.36 3h23 n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h23 s LEU 229 N -5.34 1.99 1.13 -2.67 1.43 -1.20 -5.07 118.68 108.95 3h23 s LEU 229 Ca 0.22 -0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 3h23 s LEU 229 Cb -0.03 -0.57 0.26 0.00 0.03 0.00 0.00 46.19 45.89 3h23 s LEU 229 CO 0.63 0.13 1.04 -2.16 0.23 0.00 0.00 176.35 176.22 3h23 s PRO 230 N -0.20 -0.62 0.58 1.29 0.04 -1.26 -4.48 135.00 130.35 3h23 s PRO 230 Ca 0.03 0.78 0.29 0.00 0.04 0.00 0.00 61.00 62.15 3h23 s PRO 230 Cb -0.05 -1.59 1.75 0.00 0.04 0.00 0.00 34.50 34.65 3h23 s PRO 230 CO -0.00 -3.51 2.22 -0.24 0.04 0.00 0.00 177.00 175.51 3h23 h VAL 231 N -2.46 0.53 -0.01 -0.36 3.04 -1.99 -1.06 116.25 113.95 3h23 h VAL 231 Ca -0.60 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 3h23 h VAL 231 Cb 1.33 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.69 3h23 h VAL 231 CO 0.52 0.03 -0.10 -1.84 -1.01 0.00 0.00 177.57 175.16 3h23 n GLU 232 N -3.80 1.07 -0.95 4.17 0.00 -1.26 -3.83 120.64 116.04 3h23 n GLU 232 Ca -0.03 -0.50 -0.09 0.00 0.00 0.00 0.00 57.16 56.54 3h23 n GLU 232 Cb 0.11 -1.49 0.18 0.00 0.00 0.00 0.00 31.44 30.25 3h23 n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h23 n GLU 233 N -0.53 2.00 -0.41 3.44 -0.58 -0.40 -4.74 120.64 119.42 3h23 n GLU 233 Ca 0.16 -3.24 0.08 0.00 -0.42 0.00 0.00 57.16 53.74 3h23 n GLU 233 Cb 0.30 -1.90 0.25 0.00 -0.57 0.00 0.00 31.44 29.52 3h23 n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h23 n ARG 234 N -1.10 3.10 -0.06 3.49 1.74 -1.25 -4.70 116.66 117.88 3h23 n ARG 234 Ca 0.38 -2.65 -0.12 0.00 -0.77 0.00 0.00 57.85 54.69 3h23 n ARG 234 Cb 1.08 -1.72 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 3h23 n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h23 h LEU 235 N 2.17 0.36 -0.15 0.55 6.46 -1.89 -0.83 115.31 122.00 3h23 h LEU 235 Ca 0.00 -0.40 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 3h23 h LEU 235 Cb 1.28 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 3h23 h LEU 235 CO 0.18 0.68 0.05 -0.33 -0.62 0.00 0.00 178.44 178.40 3h23 h GLU 236 N 0.05 0.23 -0.96 1.25 3.07 -2.00 0.38 114.58 116.61 3h23 h GLU 236 Ca 0.04 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.88 3h23 h GLU 236 Cb 0.54 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.36 3h23 h GLU 236 CO 0.02 0.35 0.63 0.78 -1.40 0.00 0.00 179.01 179.39 3h23 h GLY 237 N 0.06 1.37 0.98 -3.84 0.00 -1.86 -2.40 103.07 97.37 3h23 h GLY 237 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3h23 h GLY 237 CO -0.00 0.44 -0.00 -0.84 0.00 0.00 0.00 176.54 176.14 3h23 h THR 238 N 1.24 0.99 -0.87 4.70 2.02 -0.93 -2.87 112.91 117.19 3h23 h THR 238 Ca 0.37 -0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.67 3h23 h THR 238 Cb -0.05 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 3h23 h THR 238 CO -0.10 0.00 0.56 1.23 0.37 0.00 0.00 175.52 177.58 3h23 h GLY 239 N 0.00 1.19 1.12 2.16 0.00 -0.55 -1.43 103.07 105.56 3h23 h GLY 239 Ca 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3h23 h GLY 239 CO -0.01 0.15 0.34 0.00 0.00 0.00 0.00 176.54 177.02 3h23 h ALA 240 N 1.59 1.14 0.01 3.60 0.00 -1.34 -0.56 119.26 123.70 3h23 h ALA 240 Ca 0.42 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 3h23 h ALA 240 Cb 0.56 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3h23 h ALA 240 CO -0.18 0.63 -0.89 1.79 0.00 0.00 0.00 179.25 180.60 3h23 h THR 241 N 1.12 1.51 -0.25 0.00 1.35 -1.08 -1.68 112.91 113.88 3h23 h THR 241 Ca 0.26 -2.67 -0.04 0.00 -0.55 0.00 0.00 66.41 63.41 3h23 h THR 241 Cb 0.16 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 3h23 h THR 241 CO -0.03 0.78 0.01 0.58 -0.25 0.00 0.00 175.52 176.61 3h23 h VAL 242 N 0.10 1.25 -0.34 6.82 2.07 -1.23 -0.33 116.25 124.59 3h23 h VAL 242 Ca -0.04 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3h23 h VAL 242 Cb 1.53 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 3h23 h VAL 242 CO 0.13 0.28 0.09 0.00 0.02 0.00 0.00 177.57 178.09 3h23 h LEU 244 N 0.39 1.02 -1.00 0.00 5.85 -1.30 -1.56 115.31 118.69 3h23 h LEU 244 Ca 0.11 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3h23 h LEU 244 Cb 0.29 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3h23 h LEU 244 CO 0.00 0.73 0.15 1.23 -0.34 0.00 0.00 178.44 180.21 3h23 h GLY 245 N 1.20 0.93 0.76 3.75 0.00 -0.59 -0.56 103.07 108.56 3h23 h GLY 245 Ca 0.33 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 3h23 h GLY 245 CO -0.08 0.50 -0.36 -2.22 0.00 0.00 0.00 176.54 174.38 3h23 h ILE 246 N 0.84 1.40 -0.88 2.60 2.04 -1.05 -1.90 117.51 120.55 3h23 h ILE 246 Ca 0.18 -1.72 0.15 0.00 1.00 0.00 0.00 64.86 64.48 3h23 h ILE 246 Cb 0.29 2.23 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 3h23 h ILE 246 CO -0.00 0.50 0.57 -0.08 0.00 0.00 0.00 178.15 179.14 3h23 h GLU 247 N -0.04 0.62 -0.02 2.37 4.22 -1.16 -1.91 114.58 118.66 3h23 h GLU 247 Ca -0.02 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.38 3h23 h GLU 247 Cb 1.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3h23 h GLU 247 CO 0.08 0.41 0.00 1.63 -2.18 0.00 0.00 179.01 178.94 3h23 n LYS 248 N -4.56 1.15 0.00 1.92 5.02 -0.23 -4.92 118.16 116.54 3h23 n LYS 248 Ca 0.18 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3h23 n LYS 248 Cb 0.51 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 3h23 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h23 n GLY 249 N 0.96 1.14 3.77 0.72 0.00 -0.72 -4.18 105.19 106.87 3h23 n GLY 249 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3h23 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h23 n GLU 251 N -0.00 0.66 -4.46 0.00 4.71 0.01 -4.73 120.64 116.83 3h23 n GLU 251 Ca 0.05 0.19 -0.25 0.00 -0.01 0.00 0.00 57.16 57.13 3h23 n GLU 251 Cb 0.46 -1.68 -0.13 0.00 -1.01 0.00 0.00 31.44 29.07 3h23 n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h23 s PHE 252 N -2.56 1.89 -0.02 -0.32 0.40 -1.03 -0.96 117.98 115.38 3h23 s PHE 252 Ca -0.10 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.88 3h23 s PHE 252 Cb 0.07 -1.07 -0.01 0.00 0.51 0.00 0.00 43.02 42.53 3h23 s PHE 252 CO 0.81 0.18 -0.15 0.14 0.70 0.00 0.00 175.22 176.90 3h23 s VAL 253 N -1.00 1.20 -0.33 -0.44 -7.23 -0.35 -0.24 120.40 112.00 3h23 s VAL 253 Ca 0.08 -0.62 -0.10 0.00 -1.81 0.00 0.00 61.98 59.53 3h23 s VAL 253 Cb -0.10 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 35.83 3h23 s VAL 253 CO 0.03 0.35 0.16 -0.60 -0.31 0.00 0.00 175.10 174.73 3h23 s ARG 254 N -0.16 3.14 0.02 4.82 3.52 0.64 -0.74 118.95 130.20 3h23 s ARG 254 Ca 0.02 -0.85 -0.00 0.00 -0.13 0.00 0.00 55.73 54.77 3h23 s ARG 254 Cb -0.08 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.71 3h23 s ARG 254 CO 0.00 -0.50 -0.02 0.14 -0.81 0.00 0.00 175.30 174.11 3h23 s VAL 255 N 1.58 0.09 -0.01 7.11 -7.23 -0.60 -4.06 120.40 117.29 3h23 s VAL 255 Ca 0.03 -0.75 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 3h23 s VAL 255 Cb -0.18 -0.22 -0.26 0.00 0.56 0.00 0.00 36.38 36.28 3h23 s VAL 255 CO 0.06 -0.41 0.81 0.45 -0.31 0.00 0.00 175.10 175.70 3h23 h HIS 256 N 4.89 0.30 -3.66 2.82 3.86 -1.89 -2.35 115.15 119.12 3h23 h HIS 256 Ca -0.31 -0.22 -0.77 0.00 -1.16 0.00 0.00 60.37 57.92 3h23 h HIS 256 Cb 1.21 -0.01 -0.29 0.00 1.06 0.00 0.00 27.41 29.38 3h23 h HIS 256 CO 0.62 1.29 0.11 -0.51 0.86 0.00 0.00 177.93 180.30 3h23 s ASP 257 N -6.75 6.61 -0.03 2.45 1.11 -1.26 -4.82 116.67 113.99 3h23 s ASP 257 Ca -0.08 -3.09 -0.25 0.00 0.18 0.00 0.00 52.55 49.31 3h23 s ASP 257 Cb 0.07 -2.13 -0.20 0.00 1.07 0.00 0.00 42.92 41.74 3h23 s ASP 257 CO 0.83 -0.42 1.22 0.58 1.18 0.00 0.00 175.17 178.56 3h23 h VAL 258 N 4.46 1.43 0.33 -1.27 2.07 -1.93 -1.80 116.25 119.55 3h23 h VAL 258 Ca 0.12 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 3h23 h VAL 258 Cb 0.96 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 3h23 h VAL 258 CO 0.83 0.35 -0.47 0.50 0.02 0.00 0.00 177.57 178.80 3h23 h LYS 259 N -0.46 -0.81 -0.47 1.57 3.64 -1.91 0.97 116.57 119.11 3h23 h LYS 259 Ca 0.00 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.53 3h23 h LYS 259 Cb 0.60 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.52 3h23 h LYS 259 CO 0.01 -0.54 -0.03 0.93 -2.27 0.00 0.00 179.45 177.55 3h23 h GLU 260 N -0.84 0.08 -0.03 1.90 3.07 -1.89 -2.56 114.58 114.31 3h23 h GLU 260 Ca -0.04 -0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.64 3h23 h GLU 260 Cb 0.76 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 3h23 h GLU 260 CO -0.13 0.05 -0.75 0.52 -1.40 0.00 0.00 179.01 177.30 3h23 h MET 261 N 0.08 0.21 -0.04 2.33 2.86 -1.23 -2.38 114.93 116.77 3h23 h MET 261 Ca 0.23 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3h23 h MET 261 Cb 0.35 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3h23 h MET 261 CO -0.41 0.86 -0.08 0.77 1.06 0.00 0.00 176.91 179.11 3h23 h SER 262 N 0.14 -0.25 -0.82 1.22 0.02 -0.65 0.43 113.55 113.64 3h23 h SER 262 Ca -0.03 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3h23 h SER 262 Cb 1.31 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.93 3h23 h SER 262 CO 0.11 -0.12 0.52 0.03 -1.14 0.00 0.00 176.83 176.23 3h23 h ARG 263 N -0.13 1.09 -0.49 3.45 3.08 -1.31 -1.56 114.38 118.51 3h23 h ARG 263 Ca 0.05 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 3h23 h ARG 263 Cb 0.19 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3h23 h ARG 263 CO -0.11 0.75 -0.08 0.52 -1.07 0.00 0.00 179.97 179.97 3h23 h MET 264 N 1.11 0.93 -0.68 0.04 2.86 -1.35 -1.99 114.93 115.86 3h23 h MET 264 Ca 0.30 -0.34 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 3h23 h MET 264 Cb -0.09 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 3h23 h MET 264 CO -0.06 0.99 0.19 0.00 1.06 0.00 0.00 176.91 179.09 3h23 h ALA 265 N 0.90 1.05 -0.33 6.32 0.00 -0.75 -0.62 119.26 125.82 3h23 h ALA 265 Ca 0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3h23 h ALA 265 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3h23 h ALA 265 CO 0.04 0.64 -0.22 -0.22 0.00 0.00 0.00 179.25 179.49 3h23 h LYS 266 N 1.01 0.64 -0.11 0.00 3.64 -1.23 0.28 116.57 120.80 3h23 h LYS 266 Ca 0.22 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3h23 h LYS 266 Cb 0.33 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3h23 h LYS 266 CO -0.00 0.81 -0.10 1.98 -2.27 0.00 0.00 179.45 179.87 3h23 h MET 267 N 0.56 0.26 -0.00 1.90 4.05 -1.07 -2.32 114.93 118.31 3h23 h MET 267 Ca 0.08 -0.13 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 3h23 h MET 267 Cb 0.68 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.44 3h23 h MET 267 CO 0.05 0.66 -0.32 0.52 0.23 0.00 0.00 176.91 178.05 3h23 h MET 268 N -0.13 -0.45 -0.71 0.39 2.86 -1.04 -1.74 114.93 114.11 3h23 h MET 268 Ca 0.02 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.84 3h23 h MET 268 Cb 0.61 0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.26 3h23 h MET 268 CO 0.03 -0.30 0.08 -0.44 1.06 0.00 0.00 176.91 177.33 3h23 h ASP 269 N -0.47 -0.17 -0.95 1.22 3.45 -0.95 -0.07 116.42 118.48 3h23 h ASP 269 Ca 0.06 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.69 3h23 h ASP 269 Cb 0.56 0.26 -0.05 0.00 -0.56 0.00 0.00 39.33 39.54 3h23 h ASP 269 CO -0.27 -0.10 0.61 0.00 -1.57 0.00 0.00 179.24 177.91 3h23 h ALA 270 N 1.62 1.21 -0.07 3.45 0.00 -1.07 -0.80 119.26 123.61 3h23 h ALA 270 Ca 0.39 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3h23 h ALA 270 Cb 0.67 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3h23 h ALA 270 CO -0.56 0.63 -0.40 0.52 0.00 0.00 0.00 179.25 179.44 3h23 h MET 271 N 1.30 0.40 0.00 0.00 2.86 -0.17 -3.18 114.93 116.14 3h23 h MET 271 Ca 0.35 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3h23 h MET 271 Cb -0.11 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3h23 h MET 271 CO -0.07 0.97 0.00 0.44 1.06 0.00 0.00 176.91 179.31 3h23 n ILE 272 N -4.35 0.15 -1.05 -1.22 -5.35 -0.38 -4.94 119.36 102.23 3h23 n ILE 272 Ca -0.08 0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 3h23 n ILE 272 Cb 0.55 -0.58 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 3h23 n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h23 n GLY 273 N 1.14 0.87 0.00 3.28 0.00 -0.78 -5.08 105.19 104.62 3h23 n GLY 273 Ca 0.09 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.60 3h23 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49