#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h22 s TRP 3 N 0.00 3.59 -2.08 5.64 0.52 -1.26 -4.98 118.94 120.37 3h22 s TRP 3 Ca 0.00 0.80 0.21 0.00 0.02 0.00 0.00 56.10 57.12 3h22 s TRP 3 Cb 0.00 -2.32 0.43 0.00 -1.15 0.00 0.00 33.47 30.43 3h22 s TRP 3 CO 0.00 0.43 1.37 -0.40 0.02 0.00 0.00 176.95 178.37 3h22 n ASP 4 N 2.77 3.41 -4.15 2.95 3.85 -1.26 -4.93 116.55 119.18 3h22 n ASP 4 Ca -0.12 -1.96 -0.10 0.00 -0.71 0.00 0.00 54.79 51.89 3h22 n ASP 4 Cb 0.52 -0.28 -0.10 0.00 -1.35 0.00 0.00 41.12 39.91 3h22 n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h22 s TYR 5 N -1.27 0.93 0.10 2.11 -0.85 -1.26 -5.18 117.35 111.93 3h22 s TYR 5 Ca 0.37 -1.25 0.02 0.00 -0.52 0.00 0.00 57.07 55.69 3h22 s TYR 5 Cb 0.21 -0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 3h22 s TYR 5 CO 0.29 -0.57 0.20 -0.51 -1.52 0.00 0.00 175.55 173.43 3h22 s ASP 6 N -3.08 6.11 -0.65 -0.18 1.01 -1.26 -4.56 116.67 114.05 3h22 s ASP 6 Ca 0.29 0.15 -0.26 0.00 0.71 0.00 0.00 52.55 53.43 3h22 s ASP 6 Cb 0.07 -1.80 0.04 0.00 1.01 0.00 0.00 42.92 42.24 3h22 s ASP 6 CO 0.05 0.12 1.15 -0.22 0.21 0.00 0.00 175.17 176.48 3h22 s LEU 7 N -2.76 3.61 -0.11 1.23 1.98 0.84 -4.92 118.68 118.54 3h22 s LEU 7 Ca 0.33 -0.38 -0.30 0.00 -2.89 0.00 0.00 54.13 50.90 3h22 s LEU 7 Cb -0.12 -2.74 -0.02 0.00 0.66 0.00 0.00 46.19 43.97 3h22 s LEU 7 CO 0.27 -1.57 1.11 -0.13 -1.89 0.00 0.00 176.35 174.13 3h22 s ARG 8 N 4.94 4.35 -0.48 1.98 1.81 -1.26 -0.75 118.95 129.54 3h22 s ARG 8 Ca 0.34 1.52 0.08 0.00 -1.72 0.00 0.00 55.73 55.95 3h22 s ARG 8 Cb -0.10 -3.59 0.26 0.00 -0.45 0.00 0.00 34.95 31.07 3h22 s ARG 8 CO 0.18 -0.46 0.63 0.00 -0.68 0.00 0.00 175.30 174.97 3h22 n GLY 10 N 1.05 1.34 0.19 0.00 0.00 -1.26 -0.91 105.19 105.60 3h22 n GLY 10 Ca 0.25 0.56 0.02 0.00 0.00 0.00 0.00 46.02 46.85 3h22 n GLY 10 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h22 h GLU 11 N 0.00 0.04 -6.08 1.61 5.08 -2.02 -3.45 114.58 109.76 3h22 h GLU 11 Ca 0.00 -0.01 -0.68 0.00 -1.00 0.00 0.00 59.36 57.66 3h22 h GLU 11 Cb 0.00 -0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.03 3h22 h GLU 11 CO 0.00 0.40 -0.73 0.71 -1.00 0.00 0.00 179.01 178.39 3h22 s TYR 12 N -4.22 2.84 -0.10 4.33 1.51 -0.09 -5.12 117.35 116.50 3h22 s TYR 12 Ca -0.03 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 3h22 s TYR 12 Cb 0.14 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 3h22 s TYR 12 CO 0.73 0.20 -0.12 0.99 -1.11 0.00 0.00 175.55 176.25 3h22 s THR 13 N -0.60 3.20 -0.33 -0.71 2.01 -1.26 -1.01 115.64 116.95 3h22 s THR 13 Ca 0.09 -0.63 -0.14 0.00 0.31 0.00 0.00 61.69 61.32 3h22 s THR 13 Cb -0.12 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 3h22 s THR 13 CO 0.02 0.55 0.30 -0.76 -0.69 0.00 0.00 174.62 174.04 3h22 s LEU 14 N -0.07 4.38 0.08 4.42 1.43 0.07 -4.94 118.68 124.05 3h22 s LEU 14 Ca -0.02 -0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 52.56 3h22 s LEU 14 Cb -0.14 -2.26 -0.06 0.00 0.03 0.00 0.00 46.19 43.76 3h22 s LEU 14 CO 0.04 -0.26 1.21 0.21 0.23 0.00 0.00 176.35 177.78 3h22 s ASN 15 N 1.73 7.06 0.00 2.29 3.84 -1.26 -0.11 114.94 128.48 3h22 s ASN 15 Ca 0.10 2.07 0.23 0.00 0.21 0.00 0.00 52.86 55.47 3h22 s ASN 15 Cb -0.17 -2.58 0.51 0.00 -0.55 0.00 0.00 41.25 38.46 3h22 s ASN 15 CO 0.11 -0.47 1.44 0.18 -2.79 0.00 0.00 177.10 175.57 3h22 n LEU 16 N 3.71 2.78 -0.07 3.21 4.77 -1.26 -4.38 117.00 125.75 3h22 n LEU 16 Ca 0.08 -1.13 -0.08 0.00 -0.03 0.00 0.00 56.01 54.86 3h22 n LEU 16 Cb 0.46 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 3h22 n LEU 16 CO 0.56 0.56 -0.97 0.59 -1.33 0.00 0.00 177.39 176.80 3h22 n ASN 17 N 1.07 2.04 0.06 -1.43 3.02 -1.26 -4.69 115.26 114.07 3h22 n ASN 17 Ca 0.18 -0.03 -0.11 0.00 -0.03 0.00 0.00 54.58 54.58 3h22 n ASN 17 Cb 0.52 0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 40.16 3h22 n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h22 h GLU 18 N 0.00 0.38 -2.76 3.52 4.11 -1.88 -3.47 114.58 114.47 3h22 h GLU 18 Ca -0.36 -0.37 -0.05 0.00 0.07 0.00 0.00 59.36 58.65 3h22 h GLU 18 Cb 1.74 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.94 3h22 h GLU 18 CO -0.00 1.03 0.10 -1.59 0.07 0.00 0.00 179.01 178.62 3h22 s LYS 19 N -3.39 1.11 0.11 1.06 -2.85 -1.26 -4.90 119.74 109.62 3h22 s LYS 19 Ca -0.05 -0.26 -0.31 0.00 -1.00 0.00 0.00 55.97 54.35 3h22 s LYS 19 Cb 0.10 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.29 3h22 s LYS 19 CO 0.85 -0.42 1.59 0.99 0.10 0.00 0.00 175.35 178.46 3h22 s THR 20 N -2.73 2.91 -0.08 3.79 2.01 -1.26 -4.89 115.64 115.38 3h22 s THR 20 Ca -0.04 0.52 -0.19 0.00 0.31 0.00 0.00 61.69 62.29 3h22 s THR 20 Cb -0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3h22 s THR 20 CO -0.04 0.02 0.53 -0.76 -0.69 0.00 0.00 174.62 173.68 3h22 s LEU 21 N 1.94 4.32 -0.25 4.42 1.43 -0.55 -4.94 118.68 125.04 3h22 s LEU 21 Ca 0.71 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 3h22 s LEU 21 Cb -0.41 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 3h22 s LEU 21 CO 0.31 0.02 0.27 -0.63 0.23 0.00 0.00 176.35 176.56 3h22 s ILE 22 N 0.41 5.26 -0.25 -0.59 -1.09 -1.26 -1.22 121.20 122.47 3h22 s ILE 22 Ca 0.29 0.40 -0.09 0.00 -2.23 0.00 0.00 60.65 59.02 3h22 s ILE 22 Cb -0.16 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 3h22 s ILE 22 CO 0.13 0.25 0.11 -0.32 -1.23 0.00 0.00 174.94 173.89 3h22 s MET 23 N 1.54 3.79 -0.02 2.79 -2.45 -0.07 -0.23 119.30 124.66 3h22 s MET 23 Ca 0.12 -0.41 -0.24 0.00 -1.25 0.00 0.00 55.69 53.91 3h22 s MET 23 Cb -0.15 -3.44 -0.04 0.00 1.25 0.00 0.00 34.83 32.45 3h22 s MET 23 CO 0.08 -0.14 0.74 0.20 1.05 0.00 0.00 175.02 176.95 3h22 s GLY 24 N 1.55 2.71 -0.46 2.11 0.00 0.29 -1.00 107.32 112.52 3h22 s GLY 24 Ca 0.06 0.22 -0.22 0.00 0.00 0.00 0.00 44.72 44.78 3h22 s GLY 24 CO 0.06 1.16 0.74 -0.42 0.00 0.00 0.00 173.10 174.65 3h22 s ILE 25 N 0.43 4.70 0.07 0.90 1.01 -0.80 -0.83 121.20 126.67 3h22 s ILE 25 Ca 0.39 0.26 -0.31 0.00 0.00 0.00 0.00 60.65 60.99 3h22 s ILE 25 Cb -0.19 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 3h22 s ILE 25 CO 0.21 -0.72 1.26 -0.22 0.00 0.00 0.00 174.94 175.47 3h22 s LEU 26 N 3.16 4.36 -0.30 2.97 2.96 0.04 -4.84 118.68 127.04 3h22 s LEU 26 Ca 0.27 2.10 -0.29 0.00 -0.22 0.00 0.00 54.13 55.99 3h22 s LEU 26 Cb -0.13 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 3h22 s LEU 26 CO 0.21 -0.54 1.38 0.21 -1.32 0.00 0.00 176.35 176.28 3h22 s ASN 27 N 1.12 6.58 -0.28 3.68 3.84 -1.26 -4.57 114.94 124.05 3h22 s ASN 27 Ca 0.61 1.25 0.09 0.00 0.21 0.00 0.00 52.86 55.01 3h22 s ASN 27 Cb -0.32 -2.54 0.46 0.00 -0.55 0.00 0.00 41.25 38.30 3h22 s ASN 27 CO 0.29 -1.15 1.31 0.52 -2.79 0.00 0.00 177.10 175.28 3h22 n VAL 28 N 6.34 2.47 -1.39 -5.21 0.31 -1.26 -4.57 118.33 115.02 3h22 n VAL 28 Ca 0.16 -3.41 -0.58 0.00 -0.01 0.00 0.00 64.34 60.50 3h22 n VAL 28 Cb 0.46 -0.58 -0.10 0.00 -0.91 0.00 0.00 33.84 32.71 3h22 n VAL 28 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3h22 n THR 29 N -0.99 0.08 -1.94 2.52 -1.04 -1.26 -4.90 114.28 106.75 3h22 n THR 29 Ca 0.33 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.96 3h22 n THR 29 Cb 0.86 -0.89 0.03 0.00 -1.82 0.00 0.00 70.33 68.52 3h22 n THR 29 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3h22 s PRO 30 N 5.60 3.06 0.15 -2.82 0.05 -1.26 -4.82 135.00 134.97 3h22 s PRO 30 Ca 1.14 0.49 -0.17 0.00 0.05 0.00 0.00 61.00 62.51 3h22 s PRO 30 Cb -1.28 -2.06 -0.07 0.00 0.05 0.00 0.00 34.50 31.14 3h22 s PRO 30 CO 0.63 -0.88 0.61 -0.51 0.05 0.00 0.00 177.00 176.90 3h22 s ASP 31 N -4.31 6.96 -1.40 6.66 1.11 -1.26 -4.99 116.67 119.44 3h22 s ASP 31 Ca 0.57 1.24 -0.15 0.00 0.18 0.00 0.00 52.55 54.38 3h22 s ASP 31 Cb -0.11 -2.35 0.04 0.00 1.07 0.00 0.00 42.92 41.57 3h22 s ASP 31 CO 0.52 0.12 2.10 -1.20 1.18 0.00 0.00 175.17 177.88 3h22 n SER 32 N 1.00 4.12 0.00 0.27 7.64 -1.26 -4.92 113.62 120.47 3h22 n SER 32 Ca -0.06 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 56.97 3h22 n SER 32 Cb 0.51 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 3h22 n SER 32 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3h22 n PHE 33 N 6.77 0.00 -1.25 1.43 3.01 -1.26 -5.25 117.46 120.91 3h22 n PHE 33 Ca 0.51 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.68 3h22 n PHE 33 Cb 0.41 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 40.07 3h22 n PHE 33 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3h22 s GLY 36 N 0.00 1.58 0.00 1.37 0.00 -1.26 -5.00 107.32 104.02 3h22 s GLY 36 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.08 3h22 s GLY 36 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.77 3h22 n GLY 37 N -1.41 2.68 3.64 0.20 0.00 -1.25 -4.93 105.19 104.12 3h22 n GLY 37 Ca 0.08 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3h22 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h22 s SER 38 N 0.45 2.62 0.04 1.61 1.04 -1.26 -4.76 113.70 113.43 3h22 s SER 38 Ca 0.00 1.95 -0.22 0.00 0.48 0.00 0.00 55.95 58.16 3h22 s SER 38 Cb 0.00 -2.47 -0.15 0.00 0.10 0.00 0.00 66.02 63.50 3h22 s SER 38 CO 0.00 -3.25 1.42 0.22 0.98 0.00 0.00 173.24 172.61 3h22 h TYR 39 N -1.97 0.22 -0.77 5.02 3.20 -2.00 -3.09 116.97 117.59 3h22 h TYR 39 Ca -0.48 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.36 3h22 h TYR 39 Cb 1.28 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 3h22 h TYR 39 CO 0.45 0.51 0.51 -0.91 -1.64 0.00 0.00 178.16 177.07 3h22 h ASN 40 N -0.12 0.85 0.62 -2.11 2.35 -1.99 -2.08 115.58 113.10 3h22 h ASN 40 Ca 0.03 -0.02 -0.28 0.00 -0.55 0.00 0.00 56.30 55.48 3h22 h ASN 40 Cb 0.43 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3h22 h ASN 40 CO 0.01 0.60 -1.32 1.05 -1.65 0.00 0.00 177.43 176.12 3h22 h GLU 41 N 0.99 0.22 -0.10 0.81 4.11 -1.87 -1.95 114.58 116.79 3h22 h GLU 41 Ca 0.29 -0.37 -0.12 0.00 0.07 0.00 0.00 59.36 59.24 3h22 h GLU 41 Cb -0.04 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3h22 h GLU 41 CO -0.07 1.13 -0.39 0.28 0.07 0.00 0.00 179.01 180.02 3h22 h VAL 42 N 0.06 1.38 -0.77 -1.06 2.07 -1.60 -2.19 116.25 114.15 3h22 h VAL 42 Ca -0.16 -1.73 0.04 0.00 0.82 0.00 0.00 66.70 65.68 3h22 h VAL 42 Cb 1.96 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 33.87 3h22 h VAL 42 CO 0.18 0.51 0.51 -0.78 0.02 0.00 0.00 177.57 178.01 3h22 h ASP 43 N 0.03 0.79 0.30 0.57 3.58 -1.45 0.25 116.42 120.49 3h22 h ASP 43 Ca -0.02 -0.01 -0.30 0.00 0.42 0.00 0.00 57.03 57.13 3h22 h ASP 43 Cb 1.03 -0.18 0.02 0.00 1.72 0.00 0.00 39.33 41.92 3h22 h ASP 43 CO 0.08 0.54 -1.29 0.00 -2.88 0.00 0.00 179.24 175.69 3h22 h ALA 44 N 1.56 0.00 -0.58 -0.78 0.00 -1.34 -0.23 119.26 117.89 3h22 h ALA 44 Ca 0.32 -0.82 0.03 0.00 0.00 0.00 0.00 54.91 54.44 3h22 h ALA 44 Cb 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3h22 h ALA 44 CO -0.10 0.77 0.34 0.00 0.00 0.00 0.00 179.25 180.26 3h22 h ALA 45 N 0.36 0.75 0.16 0.00 0.00 -1.14 -2.07 119.26 117.31 3h22 h ALA 45 Ca -0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3h22 h ALA 45 Cb 1.98 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3h22 h ALA 45 CO 0.24 0.06 -0.08 0.28 0.00 0.00 0.00 179.25 179.75 3h22 h VAL 46 N 0.67 0.93 -0.13 0.00 2.07 -0.30 -0.63 116.25 118.86 3h22 h VAL 46 Ca 0.24 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3h22 h VAL 46 Cb 0.05 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3h22 h VAL 46 CO -0.11 0.09 0.15 0.03 0.02 0.00 0.00 177.57 177.75 3h22 h ARG 47 N -0.39 0.00 0.05 1.57 3.08 -0.99 -0.18 114.38 117.52 3h22 h ARG 47 Ca -0.02 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.70 3h22 h ARG 47 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 3h22 h ARG 47 CO 0.04 0.00 -1.89 1.58 -1.07 0.00 0.00 179.97 178.62 3h22 n HIS 48 N -3.74 1.00 -0.11 3.04 -0.00 -0.79 -1.51 115.22 113.11 3h22 n HIS 48 Ca 0.00 0.29 0.06 0.00 0.46 0.00 0.00 57.72 58.53 3h22 n HIS 48 Cb 0.26 -1.16 0.39 0.00 -0.12 0.00 0.00 29.99 29.36 3h22 n HIS 48 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3h22 h ALA 49 N 0.60 1.73 -0.09 1.57 0.00 -0.57 -1.85 119.26 120.66 3h22 h ALA 49 Ca -0.37 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3h22 h ALA 49 Cb 2.03 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.65 3h22 h ALA 49 CO 0.07 0.19 -0.48 0.87 0.00 0.00 0.00 179.25 179.90 3h22 h LYS 50 N 0.66 0.48 -0.23 0.00 1.57 -1.02 -0.15 116.57 117.89 3h22 h LYS 50 Ca 0.25 -0.40 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3h22 h LYS 50 Cb 0.17 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 3h22 h LYS 50 CO -0.07 1.04 -0.13 1.49 -0.57 0.00 0.00 179.45 181.21 3h22 h GLU 51 N 0.05 -0.10 -0.60 3.15 4.81 -1.15 -0.78 114.58 119.96 3h22 h GLU 51 Ca -0.04 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3h22 h GLU 51 Cb 1.14 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3h22 h GLU 51 CO 0.10 -0.07 0.07 0.52 -0.73 0.00 0.00 179.01 178.90 3h22 h MET 52 N -0.11 1.02 -0.19 1.92 2.86 -1.20 -0.72 114.93 118.51 3h22 h MET 52 Ca 0.13 -0.29 0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3h22 h MET 52 Cb 0.29 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 3h22 h MET 52 CO -0.30 0.97 -0.26 -0.09 1.06 0.00 0.00 176.91 178.29 3h22 h ARG 53 N 0.92 -0.28 0.00 1.72 1.12 -0.83 -2.17 114.38 114.85 3h22 h ARG 53 Ca 0.18 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.07 3h22 h ARG 53 Cb 0.46 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.49 3h22 h ARG 53 CO 0.02 -0.19 -0.01 -0.44 -3.11 0.00 0.00 179.97 176.24 3h22 h ASP 54 N -0.29 0.00 -0.64 -3.80 3.32 -0.49 -2.98 116.42 111.54 3h22 h ASP 54 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h22 h ASP 54 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3h22 h ASP 54 CO -0.36 0.01 0.00 -1.84 -1.72 0.00 0.00 179.24 175.33 3h22 n GLU 55 N -3.43 2.87 0.00 3.56 0.28 -0.34 -4.96 120.64 118.63 3h22 n GLU 55 Ca -0.03 -2.56 0.00 0.00 -0.16 0.00 0.00 57.16 54.42 3h22 n GLU 55 Cb 0.10 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.43 3h22 n GLU 55 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3h22 n GLY 56 N 1.32 1.82 3.79 -1.84 0.00 -1.07 -3.91 105.19 105.29 3h22 n GLY 56 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3h22 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h22 s ALA 57 N -1.97 3.26 -0.03 4.61 0.00 -0.86 -4.68 121.76 122.09 3h22 s ALA 57 Ca 0.00 0.45 0.13 0.00 0.00 0.00 0.00 51.96 52.54 3h22 s ALA 57 Cb 0.00 -3.10 -0.20 0.00 0.00 0.00 0.00 23.12 19.82 3h22 s ALA 57 CO 0.00 0.21 0.27 0.72 0.00 0.00 0.00 175.76 176.97 3h22 n HIS 58 N 0.65 0.00 -4.19 0.00 8.25 0.69 -4.68 115.22 115.93 3h22 n HIS 58 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.31 3h22 n HIS 58 Cb 0.50 -0.33 -0.13 0.00 1.12 0.00 0.00 29.99 31.15 3h22 n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h22 s ILE 59 N -2.88 0.62 -0.20 1.59 1.01 -0.89 -3.97 121.20 116.49 3h22 s ILE 59 Ca -0.05 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 3h22 s ILE 59 Cb 0.08 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 3h22 s ILE 59 CO 0.55 -0.06 0.05 -0.63 0.00 0.00 0.00 174.94 174.85 3h22 s ILE 60 N -0.69 4.49 -0.30 2.92 -1.09 -0.39 -0.55 121.20 125.60 3h22 s ILE 60 Ca -0.02 -0.13 -0.11 0.00 -2.23 0.00 0.00 60.65 58.15 3h22 s ILE 60 Cb -0.06 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 37.75 3h22 s ILE 60 CO 0.00 0.43 0.20 -0.62 -1.23 0.00 0.00 174.94 173.73 3h22 s ASP 61 N 0.71 5.97 -0.27 3.58 -1.08 -0.01 -1.13 116.67 124.43 3h22 s ASP 61 Ca 0.02 -0.20 -0.02 0.00 -0.52 0.00 0.00 52.55 51.83 3h22 s ASP 61 Cb -0.14 -2.11 0.03 0.00 -1.46 0.00 0.00 42.92 39.24 3h22 s ASP 61 CO 0.02 -0.12 -0.02 -0.63 0.52 0.00 0.00 175.17 174.93 3h22 s ILE 62 N 1.73 3.08 -0.17 4.11 1.01 -0.80 -0.78 121.20 129.39 3h22 s ILE 62 Ca 0.07 -1.09 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 3h22 s ILE 62 Cb -0.17 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 3h22 s ILE 62 CO 0.10 0.08 0.14 -0.83 0.00 0.00 0.00 174.94 174.44 3h22 s GLY 63 N 1.33 2.09 0.00 6.18 0.00 -1.26 -1.71 107.32 113.95 3h22 s GLY 63 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.05 3h22 s GLY 63 CO -0.02 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.65 3h22 n GLY 64 N 2.94 -0.57 1.62 0.20 0.00 -1.18 -4.96 105.19 103.24 3h22 n GLY 64 Ca -0.17 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3h22 n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3h22 n SER 75 N 0.00 -1.89 -0.01 1.61 2.88 -1.26 -4.93 113.62 110.02 3h22 n SER 75 Ca 0.00 0.67 -0.12 0.00 -1.33 0.00 0.00 58.87 58.09 3h22 n SER 75 Cb 0.00 -1.03 -0.06 0.00 -0.75 0.00 0.00 64.21 62.37 3h22 n SER 75 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3h22 h VAL 76 N 3.83 1.13 0.00 2.46 2.07 -2.06 -0.19 116.25 123.48 3h22 h VAL 76 Ca 0.00 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3h22 h VAL 76 Cb 0.00 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3h22 h VAL 76 CO 0.00 0.11 -0.12 -0.33 0.02 0.00 0.00 177.57 177.25 3h22 h GLU 77 N -0.01 0.00 -0.10 1.57 3.07 -2.02 -2.88 114.58 114.22 3h22 h GLU 77 Ca 0.03 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.79 3h22 h GLU 77 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3h22 h GLU 77 CO -0.00 0.12 -0.34 1.49 -1.40 0.00 0.00 179.01 178.88 3h22 h GLU 78 N 0.00 0.41 -0.67 2.33 4.81 -1.82 -2.88 114.58 116.76 3h22 h GLU 78 Ca -0.00 -0.30 0.11 0.00 -0.13 0.00 0.00 59.36 59.03 3h22 h GLU 78 Cb 0.71 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 3h22 h GLU 78 CO 0.02 0.93 0.44 1.49 -0.73 0.00 0.00 179.01 181.16 3h22 h GLU 79 N -0.04 0.46 0.03 1.92 4.81 -0.85 -1.76 114.58 119.16 3h22 h GLU 79 Ca -0.01 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 3h22 h GLU 79 Cb 0.97 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.26 3h22 h GLU 79 CO 0.07 0.31 -0.52 0.82 -0.73 0.00 0.00 179.01 178.95 3h22 h ILE 80 N 0.48 1.50 -0.63 2.32 2.04 -1.55 -1.82 117.51 119.85 3h22 h ILE 80 Ca 0.31 -2.17 0.07 0.00 1.00 0.00 0.00 64.86 64.08 3h22 h ILE 80 Cb 0.58 2.83 -0.04 0.00 -0.74 0.00 0.00 36.82 39.45 3h22 h ILE 80 CO -0.10 0.61 0.42 0.11 0.00 0.00 0.00 178.15 179.20 3h22 h LYS 81 N -0.32 0.56 -0.20 2.37 1.57 -1.33 0.17 116.57 119.40 3h22 h LYS 81 Ca -0.07 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.49 3h22 h LYS 81 Cb 1.29 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3h22 h LYS 81 CO 0.10 0.37 -0.58 0.00 -0.57 0.00 0.00 179.45 178.78 3h22 h ARG 82 N 0.58 0.74 0.00 3.15 3.08 -1.28 -3.32 114.38 117.33 3h22 h ARG 82 Ca 0.28 -0.53 -0.36 0.00 0.07 0.00 0.00 59.98 59.44 3h22 h ARG 82 Cb 0.35 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 3h22 h ARG 82 CO -0.09 1.15 -2.31 1.55 -1.07 0.00 0.00 179.97 179.21 3h22 n VAL 83 N -4.08 1.44 -0.10 2.04 3.14 -0.69 -4.28 118.33 115.80 3h22 n VAL 83 Ca -0.06 -0.81 -0.07 0.00 -2.96 0.00 0.00 64.34 60.44 3h22 n VAL 83 Cb 0.64 -0.70 0.01 0.00 -1.06 0.00 0.00 33.84 32.72 3h22 n VAL 83 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3h22 h VAL 84 N 0.00 0.94 -0.38 1.55 2.07 -0.88 -2.39 116.25 117.16 3h22 h VAL 84 Ca -0.52 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 66.93 3h22 h VAL 84 Cb 2.16 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3h22 h VAL 84 CO 0.02 0.05 0.26 -0.65 0.02 0.00 0.00 177.57 177.27 3h22 h PRO 85 N 0.30 0.39 -0.04 1.57 0.11 -1.77 -1.08 132.00 131.48 3h22 h PRO 85 Ca 0.15 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.04 3h22 h PRO 85 Cb 0.10 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 3h22 h PRO 85 CO -0.13 0.26 -0.81 0.52 -0.21 0.00 0.00 178.00 177.63 3h22 h MET 86 N 0.41 0.34 -0.38 1.05 2.86 -1.66 -2.11 114.93 115.43 3h22 h MET 86 Ca 0.16 -0.31 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 3h22 h MET 86 Cb 0.12 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3h22 h MET 86 CO -0.04 0.98 -0.08 0.82 1.06 0.00 0.00 176.91 179.65 3h22 h ILE 87 N 0.21 1.27 0.23 -1.22 2.04 -1.03 -0.66 117.51 118.37 3h22 h ILE 87 Ca -0.04 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.66 3h22 h ILE 87 Cb 1.40 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 3h22 h ILE 87 CO 0.13 0.38 -0.22 1.56 0.00 0.00 0.00 178.15 180.01 3h22 h GLN 88 N 0.54 -0.46 -0.29 2.37 4.20 -1.22 -0.44 115.11 119.81 3h22 h GLN 88 Ca 0.10 0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 3h22 h GLN 88 Cb 0.60 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 3h22 h GLN 88 CO 0.04 -0.31 -0.16 0.00 -0.67 0.00 0.00 178.83 177.73 3h22 h ALA 89 N 0.23 1.19 0.10 3.87 0.00 -1.41 -2.85 119.26 120.39 3h22 h ALA 89 Ca -0.01 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 3h22 h ALA 89 Cb 0.44 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.11 3h22 h ALA 89 CO -0.04 0.52 -0.72 0.28 0.00 0.00 0.00 179.25 179.28 3h22 h VAL 90 N 0.46 1.50 0.00 0.00 2.07 -1.10 -2.17 116.25 117.01 3h22 h VAL 90 Ca 0.08 -2.41 -0.01 0.00 0.82 0.00 0.00 66.70 65.18 3h22 h VAL 90 Cb 0.54 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3h22 h VAL 90 CO 0.03 0.68 -0.05 0.77 0.02 0.00 0.00 177.57 179.03 3h22 h SER 91 N -0.33 0.00 0.00 0.57 4.64 -1.13 0.11 113.55 117.41 3h22 h SER 91 Ca -0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3h22 h SER 91 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3h22 h SER 91 CO 0.14 0.05 -0.05 0.50 -0.87 0.00 0.00 176.83 176.60 3h22 h LYS 92 N 0.00 0.03 0.00 4.77 3.64 -1.53 -3.39 116.57 120.09 3h22 h LYS 92 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3h22 h LYS 92 Cb 0.14 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3h22 h LYS 92 CO 0.01 0.86 -1.27 0.39 -2.27 0.00 0.00 179.45 177.17 3h22 n GLU 93 N -4.65 0.33 -4.15 1.90 1.02 -0.82 -4.83 120.64 109.45 3h22 n GLU 93 Ca -0.10 -0.05 -0.27 0.00 -0.02 0.00 0.00 57.16 56.73 3h22 n GLU 93 Cb 0.43 -1.56 -0.17 0.00 -0.02 0.00 0.00 31.44 30.12 3h22 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h22 s VAL 94 N -3.24 1.18 -1.26 2.62 1.01 0.34 -5.04 120.40 116.01 3h22 s VAL 94 Ca 0.01 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3h22 s VAL 94 Cb 0.14 -1.14 0.18 0.00 0.00 0.00 0.00 36.38 35.56 3h22 s VAL 94 CO 0.84 0.39 1.97 0.29 0.00 0.00 0.00 175.10 178.59 3h22 n LYS 95 N 4.56 4.07 -4.09 2.72 4.76 -1.26 -4.48 118.16 124.44 3h22 n LYS 95 Ca -0.16 -3.68 -0.12 0.00 -2.87 0.00 0.00 58.31 51.48 3h22 n LYS 95 Cb 0.51 -2.77 -0.11 0.00 -1.84 0.00 0.00 35.03 30.81 3h22 n LYS 95 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h22 s LEU 96 N -1.19 2.34 0.53 -0.35 1.43 -1.26 -5.12 118.68 115.06 3h22 s LEU 96 Ca 0.42 -0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 52.63 3h22 s LEU 96 Cb 0.12 -0.13 -0.06 0.00 0.03 0.00 0.00 46.19 46.15 3h22 s LEU 96 CO -0.01 -0.29 1.17 -2.16 0.23 0.00 0.00 176.35 175.28 3h22 s PRO 97 N -2.29 3.38 -0.13 1.29 0.04 -1.25 -4.88 135.00 131.15 3h22 s PRO 97 Ca -0.03 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.75 3h22 s PRO 97 Cb -0.05 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3h22 s PRO 97 CO -0.01 -0.86 -0.16 0.42 0.04 0.00 0.00 177.00 176.43 3h22 s ILE 98 N -1.65 2.75 0.13 0.56 1.01 -1.26 -1.26 121.20 121.47 3h22 s ILE 98 Ca 0.71 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 3h22 s ILE 98 Cb -0.27 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3h22 s ILE 98 CO 0.31 0.53 0.30 -0.94 0.00 0.00 0.00 174.94 175.14 3h22 s SER 99 N 0.46 6.38 -0.12 3.58 1.04 -0.28 0.94 113.70 125.70 3h22 s SER 99 Ca -0.11 0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.66 3h22 s SER 99 Cb -0.16 -1.98 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 3h22 s SER 99 CO 0.05 0.08 -0.17 -0.51 0.98 0.00 0.00 173.24 173.67 3h22 s ILE 100 N -1.67 2.69 -0.99 -1.02 1.10 0.46 -1.90 121.20 119.88 3h22 s ILE 100 Ca 0.37 -0.79 -0.13 0.00 -0.51 0.00 0.00 60.65 59.59 3h22 s ILE 100 Cb -0.12 -2.10 0.23 0.00 0.15 0.00 0.00 42.46 40.61 3h22 s ILE 100 CO 0.28 0.53 1.01 -0.62 -2.11 0.00 0.00 174.94 174.03 3h22 s ASP 101 N 0.41 7.00 0.06 4.50 3.68 -0.69 0.19 116.67 131.82 3h22 s ASP 101 Ca -0.13 -3.01 -0.07 0.00 2.13 0.00 0.00 52.55 51.47 3h22 s ASP 101 Cb -0.16 -2.25 -0.01 0.00 -1.45 0.00 0.00 42.92 39.05 3h22 s ASP 101 CO 0.06 -0.53 0.15 0.28 0.13 0.00 0.00 175.17 175.25 3h22 s THR 102 N 0.04 0.14 -0.92 1.71 -1.32 -1.00 -3.13 115.64 111.15 3h22 s THR 102 Ca 0.27 -1.12 0.09 0.00 -1.21 0.00 0.00 61.69 59.73 3h22 s THR 102 Cb -0.09 -1.10 0.01 0.00 -1.51 0.00 0.00 72.50 69.81 3h22 s THR 102 CO -0.08 -0.62 0.65 0.00 -2.21 0.00 0.00 174.62 172.36 3h22 n TYR 103 N 0.41 0.00 -3.02 9.09 0.18 -1.26 -4.07 117.16 118.48 3h22 n TYR 103 Ca -0.17 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.21 3h22 n TYR 103 Cb 0.60 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.51 3h22 n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h22 s LYS 104 N -1.19 4.39 0.14 -3.48 1.02 -1.26 -3.99 119.74 115.37 3h22 s LYS 104 Ca 0.08 0.89 -0.13 0.00 0.02 0.00 0.00 55.97 56.83 3h22 s LYS 104 Cb 0.08 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 3h22 s LYS 104 CO 0.21 -0.04 1.58 0.00 -0.92 0.00 0.00 175.35 176.19 3h22 h ALA 105 N 6.93 0.62 -0.82 5.17 0.00 -1.91 -1.49 119.26 127.76 3h22 h ALA 105 Ca -0.38 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 3h22 h ALA 105 Cb 1.18 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3h22 h ALA 105 CO 0.77 0.43 0.40 1.49 0.00 0.00 0.00 179.25 182.34 3h22 h GLU 106 N 0.67 1.18 -0.53 0.00 4.57 -1.94 0.76 114.58 119.28 3h22 h GLU 106 Ca 0.13 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 3h22 h GLU 106 Cb 0.52 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 3h22 h GLU 106 CO 0.03 0.90 -0.08 0.28 -1.18 0.00 0.00 179.01 178.96 3h22 h VAL 107 N 1.17 1.26 -0.35 0.32 2.07 -1.87 -2.39 116.25 116.47 3h22 h VAL 107 Ca 0.28 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 3h22 h VAL 107 Cb 0.10 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3h22 h VAL 107 CO -0.04 0.43 0.00 0.00 0.02 0.00 0.00 177.57 177.98 3h22 h ALA 108 N 1.02 0.47 -0.04 1.67 0.00 -0.82 -2.18 119.26 119.37 3h22 h ALA 108 Ca 0.14 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3h22 h ALA 108 Cb 0.62 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3h22 h ALA 108 CO 0.04 0.23 -0.31 -0.22 0.00 0.00 0.00 179.25 178.99 3h22 h LYS 109 N 0.42 -0.42 -0.74 0.00 3.64 -0.72 -2.61 116.57 116.14 3h22 h LYS 109 Ca 0.10 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 3h22 h LYS 109 Cb 0.45 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 3h22 h LYS 109 CO 0.02 -0.28 0.41 1.96 -2.27 0.00 0.00 179.45 179.29 3h22 h GLN 110 N -0.44 0.71 -0.58 1.90 1.08 -1.37 -2.74 115.11 113.67 3h22 h GLN 110 Ca 0.07 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3h22 h GLN 110 Cb 0.54 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 3h22 h GLN 110 CO -0.29 0.47 0.38 0.00 -0.95 0.00 0.00 178.83 178.44 3h22 h ALA 111 N 1.40 0.74 0.00 3.87 0.00 -1.03 0.80 119.26 125.04 3h22 h ALA 111 Ca 0.34 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 3h22 h ALA 111 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3h22 h ALA 111 CO -0.21 0.18 -0.55 0.82 0.00 0.00 0.00 179.25 179.49 3h22 h ILE 112 N 0.79 1.30 -0.05 0.00 2.04 -1.39 0.18 117.51 120.38 3h22 h ILE 112 Ca 0.21 -1.93 -0.12 0.00 1.00 0.00 0.00 64.86 64.03 3h22 h ILE 112 Cb -0.08 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3h22 h ILE 112 CO -0.04 0.53 -0.50 -0.08 0.00 0.00 0.00 178.15 178.07 3h22 h GLU 113 N 0.00 0.13 -0.00 2.37 4.57 -1.18 -2.78 114.58 117.70 3h22 h GLU 113 Ca -0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3h22 h GLU 113 Cb 1.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3h22 h GLU 113 CO 0.07 0.60 -0.23 0.00 -1.18 0.00 0.00 179.01 178.27 3h22 n ALA 114 N -2.46 2.91 0.00 2.92 0.00 0.25 -4.92 120.51 119.21 3h22 n ALA 114 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3h22 n ALA 114 Cb 0.53 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3h22 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h22 n GLY 115 N 1.48 1.27 3.80 0.00 0.00 -0.60 -3.89 105.19 107.25 3h22 n GLY 115 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3h22 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h22 s ALA 116 N -1.90 3.26 -0.04 4.61 0.00 0.52 -4.78 121.76 123.43 3h22 s ALA 116 Ca 0.00 0.38 0.18 0.00 0.00 0.00 0.00 51.96 52.52 3h22 s ALA 116 Cb 0.00 -3.05 -0.28 0.00 0.00 0.00 0.00 23.12 19.80 3h22 s ALA 116 CO 0.00 0.22 0.36 0.72 0.00 0.00 0.00 175.76 177.07 3h22 n HIS 117 N 0.44 0.00 -3.87 0.00 -0.00 0.27 -4.24 115.22 107.82 3h22 n HIS 117 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.62 3h22 n HIS 117 Cb 0.51 -0.47 -0.12 0.00 -0.00 0.00 0.00 29.99 29.91 3h22 n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h22 s ILE 118 N -3.17 0.03 -0.16 1.59 1.01 -0.82 -4.03 121.20 115.65 3h22 s ILE 118 Ca -0.07 -0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 3h22 s ILE 118 Cb 0.11 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.35 3h22 s ILE 118 CO 0.75 -0.13 0.12 -0.63 0.00 0.00 0.00 174.94 175.06 3h22 s ILE 119 N -0.38 5.37 -0.40 2.92 1.01 -0.43 -0.41 121.20 128.89 3h22 s ILE 119 Ca -0.04 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.79 3h22 s ILE 119 Cb -0.03 -3.39 0.11 0.00 0.01 0.00 0.00 42.46 39.16 3h22 s ILE 119 CO 0.00 0.53 0.14 0.21 0.00 0.00 0.00 174.94 175.83 3h22 s ASN 120 N -0.33 4.92 -0.33 3.58 2.47 0.13 0.14 114.94 125.51 3h22 s ASN 120 Ca 0.11 -2.23 -0.08 0.00 0.42 0.00 0.00 52.86 51.08 3h22 s ASN 120 Cb -0.12 -1.71 0.02 0.00 -1.45 0.00 0.00 41.25 38.00 3h22 s ASN 120 CO 0.01 -0.42 0.13 -0.62 -3.72 0.00 0.00 177.10 172.48 3h22 s ASP 121 N 1.10 5.40 0.00 -4.21 3.68 -0.46 -2.36 116.67 119.81 3h22 s ASP 121 Ca 0.11 -0.93 0.28 0.00 2.13 0.00 0.00 52.55 54.14 3h22 s ASP 121 Cb -0.21 -1.93 1.30 0.00 -1.45 0.00 0.00 42.92 40.63 3h22 s ASP 121 CO -0.06 -0.29 1.92 2.30 0.13 0.00 0.00 175.17 179.17 3h22 n ILE 122 N 4.89 0.11 0.02 4.11 -5.35 -1.26 -2.15 119.36 119.73 3h22 n ILE 122 Ca -0.13 0.03 0.06 0.00 -0.27 0.00 0.00 62.75 62.44 3h22 n ILE 122 Cb 0.46 -0.56 0.13 0.00 -1.74 0.00 0.00 39.64 37.93 3h22 n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h22 n TRP 123 N -1.38 0.34 -3.78 4.28 7.02 -1.26 -4.41 117.44 118.24 3h22 n TRP 123 Ca 0.10 -0.35 -0.24 0.00 -1.02 0.00 0.00 57.50 56.00 3h22 n TRP 123 Cb 0.27 -0.02 0.02 0.00 -2.42 0.00 0.00 31.31 29.16 3h22 n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h22 n GLY 124 N 0.60 -0.32 2.72 6.99 0.00 -0.94 -1.45 105.19 112.80 3h22 n GLY 124 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3h22 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h22 n ALA 125 N -4.37 0.00 -0.01 4.61 0.00 -1.26 -4.59 120.51 114.89 3h22 n ALA 125 Ca -0.24 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 3h22 n ALA 125 Cb 0.65 -0.66 -0.14 0.00 0.00 0.00 0.00 19.45 19.30 3h22 n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h22 n LYS 126 N -1.31 0.75 0.02 0.00 5.02 -0.53 -3.11 118.16 119.00 3h22 n LYS 126 Ca 0.00 0.26 -0.14 0.00 -2.02 0.00 0.00 58.31 56.41 3h22 n LYS 126 Cb 0.18 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.42 3h22 n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h22 h ALA 127 N 0.05 -0.77 -2.75 7.82 0.00 -1.88 -3.38 119.26 118.35 3h22 h ALA 127 Ca -0.44 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 53.89 3h22 h ALA 127 Cb 2.01 0.87 -0.40 0.00 0.00 0.00 0.00 17.79 20.27 3h22 h ALA 127 CO 0.06 -1.02 -0.79 -1.21 0.00 0.00 0.00 179.25 176.30 3h22 s GLU 128 N -5.81 0.24 0.46 0.00 2.02 -1.26 -5.02 118.70 109.33 3h22 s GLU 128 Ca -0.16 -0.65 0.17 0.00 0.02 0.00 0.00 54.97 54.35 3h22 s GLU 128 Cb 0.08 -1.18 1.14 0.00 0.10 0.00 0.00 34.13 34.27 3h22 s GLU 128 CO 0.63 -1.05 1.99 -1.35 0.02 0.00 0.00 175.26 175.50 3h22 h PRO 129 N 8.20 0.27 0.00 0.39 0.11 -1.74 -0.55 132.00 138.68 3h22 h PRO 129 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3h22 h PRO 129 Cb 1.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3h22 h PRO 129 CO 0.41 0.18 0.00 1.63 -0.21 0.00 0.00 178.00 180.01 3h22 n LYS 130 N -4.45 0.06 -0.26 1.05 5.02 -1.26 -1.19 118.16 117.13 3h22 n LYS 130 Ca 0.09 0.53 -0.05 0.00 -2.02 0.00 0.00 58.31 56.86 3h22 n LYS 130 Cb 0.42 -1.68 0.10 0.00 -0.02 0.00 0.00 35.03 33.85 3h22 n LYS 130 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3h22 h ILE 131 N 0.00 1.25 -0.40 -0.18 2.10 -1.42 -2.28 117.51 116.59 3h22 h ILE 131 Ca 0.00 -0.81 -0.03 0.00 1.08 0.00 0.00 64.86 65.10 3h22 h ILE 131 Cb 0.03 0.37 -0.02 0.00 -1.09 0.00 0.00 36.82 36.11 3h22 h ILE 131 CO 0.00 0.33 0.11 0.00 -1.08 0.00 0.00 178.15 177.51 3h22 h ALA 132 N 1.22 1.45 -0.82 0.18 0.00 -1.37 -0.10 119.26 119.82 3h22 h ALA 132 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h22 h ALA 132 Cb 0.22 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3h22 h ALA 132 CO -0.02 0.41 0.53 0.93 0.00 0.00 0.00 179.25 181.10 3h22 h GLU 133 N 0.58 1.08 -0.28 0.00 5.08 -1.56 0.15 114.58 119.62 3h22 h GLU 133 Ca 0.14 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3h22 h GLU 133 Cb 0.20 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3h22 h GLU 133 CO -0.01 0.72 0.08 0.28 -1.00 0.00 0.00 179.01 179.09 3h22 h VAL 134 N 1.11 1.21 -0.29 3.13 2.07 -0.54 -0.77 116.25 122.17 3h22 h VAL 134 Ca 0.30 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.16 3h22 h VAL 134 Cb -0.11 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3h22 h VAL 134 CO -0.06 0.22 0.17 0.00 0.02 0.00 0.00 177.57 177.92 3h22 h ALA 135 N 0.91 0.36 0.08 1.67 0.00 -0.86 -2.21 119.26 119.21 3h22 h ALA 135 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3h22 h ALA 135 Cb 0.26 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3h22 h ALA 135 CO -0.00 -0.20 -0.53 0.00 0.00 0.00 0.00 179.25 178.52 3h22 h ALA 136 N 1.12 -0.99 0.35 0.00 0.00 -0.54 0.45 119.26 119.66 3h22 h ALA 136 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h22 h ALA 136 Cb -0.01 0.92 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3h22 h ALA 136 CO -0.05 -1.13 -0.39 1.25 0.00 0.00 0.00 179.25 178.93 3h22 h HIS 137 N -0.73 -1.08 0.00 0.00 6.17 -1.11 -2.74 115.15 115.66 3h22 h HIS 137 Ca -0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 3h22 h HIS 137 Cb 0.75 0.42 0.00 0.00 2.52 0.00 0.00 27.41 31.10 3h22 h HIS 137 CO -0.48 -0.54 0.00 0.66 0.71 0.00 0.00 177.93 178.29 3h22 n TYR 138 N -5.49 0.68 -3.27 5.26 4.01 -0.84 -4.91 117.16 112.61 3h22 n TYR 138 Ca -0.10 0.26 -0.17 0.00 -0.16 0.00 0.00 57.90 57.73 3h22 n TYR 138 Cb 0.39 -0.92 0.06 0.00 -0.31 0.00 0.00 39.34 38.57 3h22 n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h22 n ASP 139 N -2.11 -4.30 -4.92 7.72 -0.08 0.15 -5.02 116.55 107.99 3h22 n ASP 139 Ca 0.03 -0.44 -0.25 0.00 -1.51 0.00 0.00 54.79 52.62 3h22 n ASP 139 Cb 0.25 -4.04 -0.03 0.00 2.34 0.00 0.00 41.12 39.63 3h22 n ASP 139 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3h22 s VAL 140 N -3.26 5.16 0.55 5.18 -7.23 -1.05 -4.98 120.40 114.77 3h22 s VAL 140 Ca 0.31 -0.81 -0.20 0.00 -1.81 0.00 0.00 61.98 59.46 3h22 s VAL 140 Cb -0.13 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.07 3h22 s VAL 140 CO 0.57 -0.14 1.19 -2.84 -0.31 0.00 0.00 175.10 173.57 3h22 s PRO 141 N -3.34 3.27 -0.05 4.82 0.02 -1.26 -4.82 135.00 133.65 3h22 s PRO 141 Ca 0.34 1.78 0.02 0.00 0.02 0.00 0.00 61.00 63.16 3h22 s PRO 141 Cb -0.10 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.35 3h22 s PRO 141 CO 0.28 -0.95 -0.08 -1.50 -0.33 0.00 0.00 177.00 174.41 3h22 s ILE 142 N -1.61 0.81 -0.24 2.83 2.07 0.19 -1.32 121.20 123.94 3h22 s ILE 142 Ca 0.73 -0.31 -0.17 0.00 -1.41 0.00 0.00 60.65 59.48 3h22 s ILE 142 Cb -0.29 -0.76 -0.03 0.00 0.13 0.00 0.00 42.46 41.51 3h22 s ILE 142 CO 0.33 0.28 0.48 -0.63 -1.91 0.00 0.00 174.94 173.48 3h22 s ILE 143 N 0.63 5.11 -0.38 2.00 1.01 0.12 -2.24 121.20 127.45 3h22 s ILE 143 Ca -0.11 0.83 -0.12 0.00 0.00 0.00 0.00 60.65 61.26 3h22 s ILE 143 Cb -0.13 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.55 3h22 s ILE 143 CO 0.02 0.14 0.23 -0.76 0.00 0.00 0.00 174.94 174.57 3h22 s LEU 144 N 1.97 4.77 0.00 2.97 1.43 -0.49 -1.36 118.68 127.96 3h22 s LEU 144 Ca 0.21 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.31 3h22 s LEU 144 Cb -0.15 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 3h22 s LEU 144 CO 0.09 -0.38 0.37 -0.32 0.23 0.00 0.00 176.35 176.34 3h22 s MET 145 N 1.61 3.80 0.03 1.70 1.75 -0.92 -1.97 119.30 125.31 3h22 s MET 145 Ca 0.04 0.27 -0.30 0.00 -1.25 0.00 0.00 55.69 54.44 3h22 s MET 145 Cb -0.19 -3.16 -0.07 0.00 2.84 0.00 0.00 34.83 34.25 3h22 s MET 145 CO 0.08 0.67 1.57 -1.58 -0.65 0.00 0.00 175.02 175.11 3h22 s HIS 146 N -1.16 2.50 0.16 4.11 2.46 0.24 -3.80 115.29 119.80 3h22 s HIS 146 Ca 0.25 0.47 -0.15 0.00 0.47 0.00 0.00 55.06 56.09 3h22 s HIS 146 Cb -0.15 -3.86 0.03 0.00 -0.13 0.00 0.00 32.58 28.47 3h22 s HIS 146 CO 0.13 -3.39 0.43 1.21 -2.47 0.00 0.00 174.74 170.65 3h22 s ASN 147 N 2.37 -0.20 0.06 9.88 3.84 -1.26 -4.10 114.94 125.53 3h22 s ASN 147 Ca 0.70 -0.47 -0.26 0.00 0.21 0.00 0.00 52.86 53.04 3h22 s ASN 147 Cb -0.36 0.51 0.08 0.00 -0.55 0.00 0.00 41.25 40.93 3h22 s ASN 147 CO 0.30 -0.94 0.73 0.00 -2.79 0.00 0.00 177.10 174.40 3h22 s ARG 148 N -3.86 1.06 -0.10 0.43 1.70 -1.26 -5.02 118.95 111.90 3h22 s ARG 148 Ca 0.07 -0.30 0.08 0.00 -0.47 0.00 0.00 55.73 55.11 3h22 s ARG 148 Cb 0.01 0.49 0.40 0.00 -0.57 0.00 0.00 34.95 35.28 3h22 s ARG 148 CO -0.07 -0.45 1.15 -0.40 -1.08 0.00 0.00 175.30 174.46 3h22 n ASP 149 N -0.14 3.16 -2.99 -2.89 5.68 -1.26 -4.67 116.55 113.44 3h22 n ASP 149 Ca -0.14 -2.39 -0.10 0.00 -0.50 0.00 0.00 54.79 51.65 3h22 n ASP 149 Cb 0.63 -0.54 0.01 0.00 -1.14 0.00 0.00 41.12 40.08 3h22 n ASP 149 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h22 s ASN 150 N -0.49 0.26 -0.04 -1.12 2.20 -1.26 -5.10 114.94 109.39 3h22 s ASN 150 Ca 0.27 -1.25 0.21 0.00 -0.94 0.00 0.00 52.86 51.16 3h22 s ASN 150 Cb 0.20 0.81 0.39 0.00 -2.00 0.00 0.00 41.25 40.65 3h22 s ASN 150 CO 0.09 -1.60 1.16 0.80 -2.94 0.00 0.00 177.10 174.62 3h22 n MET 151 N -0.54 0.28 -2.84 3.55 1.56 -1.26 -4.86 117.12 113.00 3h22 n MET 151 Ca -0.06 -2.14 -0.44 0.00 -0.27 0.00 0.00 57.70 54.79 3h22 n MET 151 Cb 0.60 -0.33 -0.00 0.00 2.15 0.00 0.00 33.22 35.64 3h22 n MET 151 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 3h22 s ASN 152 N -2.14 6.99 -0.22 6.12 0.01 -1.26 -4.99 114.94 119.45 3h22 s ASN 152 Ca 0.32 -2.80 -0.21 0.00 -0.71 0.00 0.00 52.86 49.46 3h22 s ASN 152 Cb 0.35 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.55 3h22 s ASN 152 CO -0.14 -0.88 0.67 -0.31 -1.51 0.00 0.00 177.10 174.94 3h22 s TYR 153 N 2.36 3.34 0.02 2.20 1.51 -1.26 -4.93 117.35 120.59 3h22 s TYR 153 Ca 0.45 0.94 -0.26 0.00 -1.01 0.00 0.00 57.07 57.20 3h22 s TYR 153 Cb -0.01 -2.86 -0.14 0.00 -0.11 0.00 0.00 41.96 38.83 3h22 s TYR 153 CO 0.02 -0.26 1.16 -0.09 -1.11 0.00 0.00 175.55 175.26 3h22 h ARG 154 N 7.64 -0.91 -3.31 -0.62 2.43 -2.02 -3.44 114.38 114.15 3h22 h ARG 154 Ca -0.28 0.06 -0.50 0.00 -0.81 0.00 0.00 59.98 58.45 3h22 h ARG 154 Cb 1.13 0.21 -0.40 0.00 -0.42 0.00 0.00 29.97 30.48 3h22 h ARG 154 CO 0.79 -0.60 -0.76 1.21 -1.51 0.00 0.00 179.97 179.10 3h22 s ASN 155 N -4.12 2.75 0.14 -3.80 2.47 -1.26 -5.06 114.94 106.05 3h22 s ASN 155 Ca -0.14 -0.79 -0.32 0.00 0.42 0.00 0.00 52.86 52.03 3h22 s ASN 155 Cb 0.01 -0.45 -0.10 0.00 -1.45 0.00 0.00 41.25 39.26 3h22 s ASN 155 CO 0.41 -0.33 1.55 0.25 -3.72 0.00 0.00 177.10 175.25 3h22 h LEU 156 N 8.32 -1.96 -0.62 3.21 5.85 -1.99 0.26 115.31 128.39 3h22 h LEU 156 Ca -0.16 0.27 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 3h22 h LEU 156 Cb 1.12 0.82 -0.01 0.00 0.37 0.00 0.00 40.66 42.96 3h22 h LEU 156 CO 0.33 -0.36 -0.59 0.24 -0.34 0.00 0.00 178.44 177.72 3h22 h MET 157 N -0.29 0.32 -0.39 1.25 2.86 -1.97 -0.52 114.93 116.19 3h22 h MET 157 Ca 0.10 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3h22 h MET 157 Cb 0.55 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3h22 h MET 157 CO -0.69 0.82 0.14 0.00 1.06 0.00 0.00 176.91 178.23 3h22 h ALA 158 N 1.13 0.51 -0.30 6.32 0.00 -1.79 -1.57 119.26 123.57 3h22 h ALA 158 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3h22 h ALA 158 Cb 1.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3h22 h ALA 158 CO 0.10 0.14 -0.12 -0.44 0.00 0.00 0.00 179.25 178.93 3h22 h ASP 159 N 0.49 0.62 -0.21 0.00 3.32 -0.37 -0.71 116.42 119.57 3h22 h ASP 159 Ca 0.13 -0.40 0.05 0.00 0.02 0.00 0.00 57.03 56.83 3h22 h ASP 159 Cb 0.23 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 3h22 h ASP 159 CO -0.01 0.88 -0.41 -0.03 -1.72 0.00 0.00 179.24 177.95 3h22 h MET 160 N 0.36 -0.42 -0.83 3.56 4.05 -1.03 0.26 114.93 120.88 3h22 h MET 160 Ca 0.07 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 3h22 h MET 160 Cb 0.63 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.49 3h22 h MET 160 CO 0.04 -0.28 0.42 0.82 0.23 0.00 0.00 176.91 178.14 3h22 h ILE 161 N -0.44 1.25 -0.16 1.77 2.04 -1.29 0.42 117.51 121.11 3h22 h ILE 161 Ca 0.09 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.32 3h22 h ILE 161 Cb 0.61 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3h22 h ILE 161 CO -0.44 0.29 -0.11 0.00 0.00 0.00 0.00 178.15 177.89 3h22 h ALA 162 N 1.22 0.02 -0.30 1.87 0.00 -0.90 -1.99 119.26 119.19 3h22 h ALA 162 Ca 0.29 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 3h22 h ALA 162 Cb 0.08 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3h22 h ALA 162 CO -0.04 -0.55 -0.25 -0.44 0.00 0.00 0.00 179.25 177.98 3h22 h ASP 163 N -0.11 0.59 -0.43 0.00 3.32 0.20 -1.50 116.42 118.49 3h22 h ASP 163 Ca 0.10 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 3h22 h ASP 163 Cb 0.25 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3h22 h ASP 163 CO -0.23 0.82 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.93 3h22 h LEU 164 N 0.51 0.84 -0.76 1.55 3.38 -0.94 -2.63 115.31 117.26 3h22 h LEU 164 Ca 0.07 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.70 3h22 h LEU 164 Cb 0.70 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3h22 h LEU 164 CO 0.05 1.01 0.48 0.22 0.09 0.00 0.00 178.44 180.30 3h22 h TYR 165 N 0.65 0.90 -0.58 1.13 3.20 -0.82 0.19 116.97 121.65 3h22 h TYR 165 Ca 0.11 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.16 3h22 h TYR 165 Cb 0.65 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3h22 h TYR 165 CO 0.05 0.52 0.41 -0.44 -1.64 0.00 0.00 178.16 177.07 3h22 h ASP 166 N 0.94 0.03 -0.19 -2.11 3.32 -1.16 -0.36 116.42 116.88 3h22 h ASP 166 Ca 0.30 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 3h22 h ASP 166 Cb 0.00 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h22 h ASP 166 CO -0.11 0.01 -0.25 0.28 -1.72 0.00 0.00 179.24 177.46 3h22 h SER 167 N 0.03 0.55 -0.66 6.45 0.02 -0.30 -3.08 113.55 116.56 3h22 h SER 167 Ca 0.28 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 3h22 h SER 167 Cb 1.06 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 3h22 h SER 167 CO -0.01 0.94 0.30 0.40 -1.14 0.00 0.00 176.83 177.32 3h22 h ILE 168 N 0.17 1.23 -0.47 3.27 2.04 -0.54 -0.79 117.51 122.42 3h22 h ILE 168 Ca 0.02 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3h22 h ILE 168 Cb 0.81 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3h22 h ILE 168 CO 0.06 0.28 0.30 0.50 0.00 0.00 0.00 178.15 179.29 3h22 h LYS 169 N 0.97 0.60 -0.18 2.37 1.63 -1.16 0.99 116.57 121.80 3h22 h LYS 169 Ca 0.23 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 3h22 h LYS 169 Cb 0.15 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 3h22 h LYS 169 CO -0.03 0.40 0.05 0.82 -3.45 0.00 0.00 179.45 177.25 3h22 h ILE 170 N 0.62 1.19 0.00 2.00 2.04 -1.37 -0.54 117.51 121.45 3h22 h ILE 170 Ca 0.18 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.48 3h22 h ILE 170 Cb -0.05 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3h22 h ILE 170 CO -0.05 0.18 -0.17 0.00 0.00 0.00 0.00 178.15 178.11 3h22 h ALA 171 N 0.87 -0.21 -0.49 1.87 0.00 -0.91 -1.90 119.26 118.49 3h22 h ALA 171 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3h22 h ALA 171 Cb 0.23 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3h22 h ALA 171 CO -0.00 -0.66 -0.07 0.87 0.00 0.00 0.00 179.25 179.38 3h22 h LYS 172 N -0.28 0.88 0.00 0.00 1.57 -0.77 -0.94 116.57 117.03 3h22 h LYS 172 Ca 0.05 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3h22 h LYS 172 Cb 0.35 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3h22 h LYS 172 CO -0.16 0.92 0.00 -0.25 -0.57 0.00 0.00 179.45 179.39 3h22 n ASP 173 N -4.17 0.65 -0.46 0.86 10.43 -0.22 -1.93 116.55 121.71 3h22 n ASP 173 Ca 0.02 0.68 0.13 0.00 2.57 0.00 0.00 54.79 58.19 3h22 n ASP 173 Cb 0.36 -0.81 0.41 0.00 1.84 0.00 0.00 41.12 42.92 3h22 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h22 n ALA 174 N -1.77 2.76 0.00 2.24 0.00 -0.42 -4.94 120.51 118.37 3h22 n ALA 174 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3h22 n ALA 174 Cb 0.20 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3h22 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h22 n GLY 175 N 1.25 0.44 3.67 0.00 0.00 -0.81 -4.54 105.19 105.20 3h22 n GLY 175 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3h22 n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h22 s VAL 176 N -2.00 3.20 0.22 1.61 1.01 -0.81 -4.85 120.40 118.78 3h22 s VAL 176 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 3h22 s VAL 176 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 3h22 s VAL 176 CO 0.00 -0.02 1.37 -0.13 0.00 0.00 0.00 175.10 176.31 3h22 s ARG 177 N 3.42 4.34 0.28 2.72 0.52 -1.26 -4.39 118.95 124.58 3h22 s ARG 177 Ca 0.76 2.16 0.05 0.00 -0.52 0.00 0.00 55.73 58.19 3h22 s ARG 177 Cb -0.38 -3.16 0.78 0.00 0.52 0.00 0.00 34.95 32.71 3h22 s ARG 177 CO 0.33 -0.32 1.36 -0.25 0.02 0.00 0.00 175.30 176.44 3h22 n ASP 178 N 2.53 -0.01 0.10 0.23 8.00 -1.26 0.21 116.55 126.35 3h22 n ASP 178 Ca 0.06 1.47 0.10 0.00 0.71 0.00 0.00 54.79 57.13 3h22 n ASP 178 Cb 0.42 -0.58 0.43 0.00 -0.02 0.00 0.00 41.12 41.37 3h22 n ASP 178 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h22 n GLU 179 N -5.19 0.13 -1.05 -1.24 1.02 -1.26 -1.73 120.64 111.31 3h22 n GLU 179 Ca 0.23 0.44 -0.08 0.00 -0.02 0.00 0.00 57.16 57.74 3h22 n GLU 179 Cb 0.77 -1.78 0.30 0.00 -0.02 0.00 0.00 31.44 30.71 3h22 n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h22 n ASN 180 N -2.03 4.76 -4.21 1.62 3.02 0.13 -4.85 115.26 113.70 3h22 n ASN 180 Ca 0.01 -3.27 -0.34 0.00 -0.03 0.00 0.00 54.58 50.96 3h22 n ASN 180 Cb 0.16 -0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 38.42 3h22 n ASN 180 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h22 s ILE 181 N -3.03 2.55 -0.03 2.41 1.01 -0.71 -0.63 121.20 122.78 3h22 s ILE 181 Ca 0.56 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.49 3h22 s ILE 181 Cb 0.45 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 3h22 s ILE 181 CO 0.13 0.51 -0.25 -0.63 0.00 0.00 0.00 174.94 174.70 3h22 s ILE 182 N 1.16 1.96 0.31 2.92 1.01 -0.95 -4.27 121.20 123.33 3h22 s ILE 182 Ca 0.01 -1.05 0.08 0.00 0.00 0.00 0.00 60.65 59.69 3h22 s ILE 182 Cb -0.14 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3h22 s ILE 182 CO -0.06 0.55 0.19 -0.76 0.00 0.00 0.00 174.94 174.86 3h22 s LEU 183 N -0.51 3.51 -0.17 2.97 1.43 0.21 -1.40 118.68 124.72 3h22 s LEU 183 Ca 0.07 -0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 3h22 s LEU 183 Cb -0.10 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.13 3h22 s LEU 183 CO -0.00 -0.21 0.38 -0.62 0.23 0.00 0.00 176.35 176.13 3h22 s ASP 184 N -3.87 -0.31 0.00 2.29 3.68 -0.83 -0.58 116.67 117.04 3h22 s ASP 184 Ca 0.37 0.86 0.14 0.00 2.13 0.00 0.00 52.55 56.05 3h22 s ASP 184 Cb -0.06 0.92 0.73 0.00 -1.45 0.00 0.00 42.92 43.06 3h22 s ASP 184 CO 0.24 -0.21 1.35 -0.81 0.13 0.00 0.00 175.17 175.87 3h22 n PRO 185 N 4.74 0.25 -3.68 4.34 -0.04 -1.26 -0.59 135.00 138.76 3h22 n PRO 185 Ca -0.17 0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.19 3h22 n PRO 185 Cb 0.53 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 3h22 n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h22 n GLY 186 N -0.11 -0.43 3.69 0.55 0.00 -1.26 -4.46 105.19 103.17 3h22 n GLY 186 Ca 0.07 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 3h22 n GLY 186 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h22 n ILE 187 N -4.20 0.20 -0.72 -0.61 2.08 -1.26 -1.80 119.36 113.05 3h22 n ILE 187 Ca -0.26 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.01 3h22 n ILE 187 Cb 0.66 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.67 3h22 n ILE 187 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3h22 n GLY 188 N 3.95 0.73 3.14 7.39 0.00 -1.26 -4.88 105.19 114.25 3h22 n GLY 188 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3h22 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h22 s PHE 189 N -2.56 2.69 -1.47 1.61 0.40 -0.75 -4.82 117.98 113.08 3h22 s PHE 189 Ca 0.00 -1.48 -0.07 0.00 -0.60 0.00 0.00 56.93 54.78 3h22 s PHE 189 Cb 0.00 -1.85 0.03 0.00 0.51 0.00 0.00 43.02 41.71 3h22 s PHE 189 CO 0.00 -0.71 0.74 0.00 0.70 0.00 0.00 175.22 175.95 3h22 n ALA 190 N 4.36 -1.09 -3.73 5.36 0.00 -1.26 -4.77 120.51 119.39 3h22 n ALA 190 Ca -0.20 0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 3h22 n ALA 190 Cb 0.51 -4.09 -0.14 0.00 0.00 0.00 0.00 19.45 15.73 3h22 n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h22 s LYS 191 N -5.97 0.12 1.18 0.00 1.02 -1.26 -4.76 119.74 110.06 3h22 s LYS 191 Ca 0.41 0.45 -0.14 0.00 0.02 0.00 0.00 55.97 56.72 3h22 s LYS 191 Cb -0.19 -0.17 0.29 0.00 -0.52 0.00 0.00 37.83 37.23 3h22 s LYS 191 CO 0.51 -0.19 1.03 0.95 -0.92 0.00 0.00 175.35 176.73 3h22 s THR 192 N 1.37 1.94 0.36 2.17 -4.23 -1.26 -4.70 115.64 111.29 3h22 s THR 192 Ca -0.07 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.53 3h22 s THR 192 Cb -0.11 -2.13 0.10 0.00 1.34 0.00 0.00 72.50 71.70 3h22 s THR 192 CO -0.07 0.00 1.83 -0.65 -0.54 0.00 0.00 174.62 175.19 3h22 h PRO 193 N -2.63 0.14 -0.37 3.99 0.11 -1.99 -2.01 132.00 129.24 3h22 h PRO 193 Ca -0.60 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.30 3h22 h PRO 193 Cb 1.34 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3h22 h PRO 193 CO 0.50 0.43 -0.40 0.93 -0.21 0.00 0.00 178.00 179.25 3h22 h GLU 194 N 0.13 0.91 -0.63 1.05 3.07 -1.99 -2.62 114.58 114.50 3h22 h GLU 194 Ca 0.02 -0.49 0.05 0.00 -0.50 0.00 0.00 59.36 58.44 3h22 h GLU 194 Cb 0.60 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.49 3h22 h GLU 194 CO 0.04 1.14 0.42 1.96 -1.40 0.00 0.00 179.01 181.17 3h22 h GLN 195 N 0.74 0.67 -0.88 2.33 4.20 -1.87 -1.31 115.11 118.99 3h22 h GLN 195 Ca 0.06 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3h22 h GLN 195 Cb 1.00 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 3h22 h GLN 195 CO 0.10 0.44 0.58 -0.91 -0.67 0.00 0.00 178.83 178.37 3h22 h ASN 196 N 0.69 1.01 -0.08 1.46 2.35 -1.07 -0.24 115.58 119.70 3h22 h ASN 196 Ca 0.26 -0.03 -0.20 0.00 -0.55 0.00 0.00 56.30 55.78 3h22 h ASN 196 Cb 0.17 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3h22 h ASN 196 CO -0.08 0.74 -0.69 -0.07 -1.65 0.00 0.00 177.43 175.68 3h22 h LEU 197 N 1.19 0.83 -0.75 1.61 3.38 -1.18 -1.96 115.31 118.42 3h22 h LEU 197 Ca 0.32 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3h22 h LEU 197 Cb -0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.34 3h22 h LEU 197 CO -0.07 1.28 0.44 -0.08 0.09 0.00 0.00 178.44 180.11 3h22 h GLU 198 N 0.51 1.03 -0.61 1.13 4.81 -1.06 -1.36 114.58 119.02 3h22 h GLU 198 Ca -0.03 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3h22 h GLU 198 Cb 1.29 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3h22 h GLU 198 CO 0.14 0.74 0.29 0.00 -0.73 0.00 0.00 179.01 179.45 3h22 h ALA 199 N 1.23 0.79 -0.58 2.92 0.00 -0.99 -2.62 119.26 120.02 3h22 h ALA 199 Ca 0.27 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3h22 h ALA 199 Cb -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3h22 h ALA 199 CO -0.05 0.37 0.30 0.52 0.00 0.00 0.00 179.25 180.39 3h22 h MET 200 N 0.84 0.55 0.00 0.00 2.86 -1.20 -1.89 114.93 116.09 3h22 h MET 200 Ca 0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3h22 h MET 200 Cb 0.13 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3h22 h MET 200 CO -0.02 0.36 0.00 -0.09 1.06 0.00 0.00 176.91 178.22 3h22 h ARG 201 N 0.56 0.00 0.00 1.72 2.43 -1.08 -3.15 114.38 114.86 3h22 h ARG 201 Ca 0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3h22 h ARG 201 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3h22 h ARG 201 CO -0.18 0.00 -0.14 0.09 -1.51 0.00 0.00 179.97 178.23 3h22 n ASN 202 N -2.99 1.66 -0.25 -3.80 3.02 -1.00 -4.83 115.26 107.07 3h22 n ASN 202 Ca -0.00 -2.76 0.09 0.00 -0.03 0.00 0.00 54.58 51.87 3h22 n ASN 202 Cb 0.22 -0.36 0.35 0.00 -0.61 0.00 0.00 39.78 39.37 3h22 n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h22 h LEU 203 N 0.00 0.70 -1.96 3.41 3.38 -1.31 -2.32 115.31 117.20 3h22 h LEU 203 Ca 0.00 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.20 3h22 h LEU 203 Cb 1.11 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 3h22 h LEU 203 CO 0.00 0.40 0.57 1.05 0.09 0.00 0.00 178.44 180.55 3h22 h GLU 204 N 0.77 0.00 -0.30 1.13 9.09 -1.88 -1.63 114.58 121.76 3h22 h GLU 204 Ca 0.40 0.00 0.09 0.00 0.05 0.00 0.00 59.36 59.90 3h22 h GLU 204 Cb 0.49 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 3h22 h GLU 204 CO -0.17 0.00 0.24 1.96 0.05 0.00 0.00 179.01 181.10 3h22 h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.76 -2.09 115.11 116.52 3h22 h GLN 205 Ca 0.33 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 3h22 h GLN 205 Cb 1.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.24 3h22 h GLN 205 CO -0.00 0.00 -0.20 -0.07 -0.67 0.00 0.00 178.83 177.88 3h22 h LEU 206 N 0.00 0.00 -1.73 1.46 3.38 -1.51 -2.46 115.31 114.45 3h22 h LEU 206 Ca 0.14 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.20 3h22 h LEU 206 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3h22 h LEU 206 CO -0.00 0.20 0.34 0.78 0.09 0.00 0.00 178.44 179.85 3h22 h ASN 207 N 0.00 0.28 -0.08 -0.43 2.35 -1.55 -1.58 115.58 114.57 3h22 h ASN 207 Ca -0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3h22 h ASN 207 Cb 0.50 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 3h22 h ASN 207 CO 0.03 0.17 0.13 -0.37 -1.65 0.00 0.00 177.43 175.74 3h22 h VAL 208 N 0.31 0.31 0.00 2.81 -1.51 -1.60 -1.88 116.25 114.69 3h22 h VAL 208 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 3h22 h VAL 208 Cb 0.49 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 3h22 h VAL 208 CO -0.05 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.22 3h22 h LEU 209 N 0.00 0.00 0.00 4.19 3.38 -1.48 -3.47 115.31 117.93 3h22 h LEU 209 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h22 h LEU 209 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3h22 h LEU 209 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3h22 n GLY 210 N 0.22 0.85 3.38 0.83 0.00 -0.71 -5.08 105.19 104.68 3h22 n GLY 210 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3h22 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h22 s TYR 211 N -2.02 2.28 0.48 1.61 1.51 -1.26 -5.11 117.35 114.84 3h22 s TYR 211 Ca 0.00 -0.38 -0.22 0.00 -1.01 0.00 0.00 57.07 55.45 3h22 s TYR 211 Cb 0.00 -1.24 -0.09 0.00 -0.11 0.00 0.00 41.96 40.52 3h22 s TYR 211 CO 0.00 0.32 0.95 -2.30 -1.11 0.00 0.00 175.55 173.41 3h22 n PRO 212 N 0.96 1.16 -4.96 -1.71 -0.02 -1.26 -4.76 135.00 124.41 3h22 n PRO 212 Ca -0.18 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 3h22 n PRO 212 Cb 0.53 -2.04 -0.15 0.00 -0.02 0.00 0.00 33.50 31.82 3h22 n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h22 s VAL 213 N -1.38 2.68 -0.16 -1.45 1.01 -1.26 -0.62 120.40 119.22 3h22 s VAL 213 Ca 0.67 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3h22 s VAL 213 Cb -0.51 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3h22 s VAL 213 CO 0.54 0.54 0.06 -0.22 0.00 0.00 0.00 175.10 176.03 3h22 s LEU 214 N 0.25 3.86 -0.14 3.92 0.20 0.25 0.07 118.68 127.10 3h22 s LEU 214 Ca -0.12 0.14 -0.03 0.00 0.69 0.00 0.00 54.13 54.81 3h22 s LEU 214 Cb -0.16 -1.96 -0.03 0.00 -0.43 0.00 0.00 46.19 43.61 3h22 s LEU 214 CO 0.06 0.23 -0.03 -0.22 -0.29 0.00 0.00 176.35 176.11 3h22 s LEU 215 N 0.01 3.35 -0.31 -0.68 2.96 -0.73 -4.16 118.68 119.12 3h22 s LEU 215 Ca 0.06 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 3h22 s LEU 215 Cb -0.12 -1.79 0.09 0.00 0.50 0.00 0.00 46.19 44.86 3h22 s LEU 215 CO 0.01 0.23 0.02 -0.83 -1.32 0.00 0.00 176.35 174.45 3h22 s GLY 216 N 0.02 1.67 0.00 7.98 0.00 -1.26 -0.59 107.32 115.13 3h22 s GLY 216 Ca 0.01 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.61 3h22 s GLY 216 CO 0.02 1.00 0.12 -1.30 0.00 0.00 0.00 173.10 172.94 3h22 n THR 217 N 4.43 0.00 -1.42 0.90 -2.24 -1.26 -4.52 114.28 110.17 3h22 n THR 217 Ca -0.02 -0.36 -0.56 0.00 -2.27 0.00 0.00 64.05 60.83 3h22 n THR 217 Cb 0.42 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 69.65 3h22 n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h22 n SER 218 N -0.49 1.55 -0.06 3.42 2.88 -1.26 -2.53 113.62 117.12 3h22 n SER 218 Ca 0.00 0.66 -0.01 0.00 -1.33 0.00 0.00 58.87 58.19 3h22 n SER 218 Cb 0.02 -1.08 -0.00 0.00 -0.75 0.00 0.00 64.21 62.40 3h22 n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h22 n ARG 219 N 7.29 -0.94 -2.16 -1.46 1.74 -1.26 -4.95 116.66 114.92 3h22 n ARG 219 Ca 0.44 0.29 -0.32 0.00 -0.77 0.00 0.00 57.85 57.49 3h22 n ARG 219 Cb 0.09 -4.03 -0.00 0.00 -1.02 0.00 0.00 32.46 27.50 3h22 n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h22 s LYS 220 N -1.12 3.53 0.58 5.56 1.02 -1.05 -4.83 119.74 123.43 3h22 s LYS 220 Ca 0.00 1.11 0.28 0.00 0.02 0.00 0.00 55.97 57.38 3h22 s LYS 220 Cb 0.00 -2.07 1.55 0.00 -0.52 0.00 0.00 37.83 36.79 3h22 s LYS 220 CO 0.00 -0.63 2.02 0.66 -0.92 0.00 0.00 175.35 176.48 3h22 h SER 221 N 0.58 0.00 0.27 2.83 4.64 -1.92 -2.18 113.55 117.77 3h22 h SER 221 Ca -0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 3h22 h SER 221 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3h22 h SER 221 CO 0.59 0.00 -0.16 2.19 -0.87 0.00 0.00 176.83 178.57 3h22 h PHE 222 N 0.00 0.00 -0.71 4.77 -5.15 -1.94 0.40 116.94 114.30 3h22 h PHE 222 Ca 0.15 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.88 3h22 h PHE 222 Cb 0.78 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.92 3h22 h PHE 222 CO 0.00 0.16 0.28 0.82 -2.00 0.00 0.00 178.31 177.58 3h22 h ILE 223 N 0.00 1.25 0.00 0.88 2.04 -1.75 -2.22 117.51 117.71 3h22 h ILE 223 Ca -0.00 -0.77 -0.12 0.00 1.00 0.00 0.00 64.86 64.96 3h22 h ILE 223 Cb 0.34 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3h22 h ILE 223 CO 0.02 0.31 -0.59 1.23 0.00 0.00 0.00 178.15 179.12 3h22 h GLY 224 N 1.01 0.00 1.02 5.37 0.00 -1.12 -0.17 103.07 109.18 3h22 h GLY 224 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 3h22 h GLY 224 CO -0.02 0.00 0.29 0.84 0.00 0.00 0.00 176.54 177.65 3h22 h HIS 225 N 0.00 1.06 0.11 5.60 -0.00 -0.13 0.33 115.15 122.12 3h22 h HIS 225 Ca -0.01 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 3h22 h HIS 225 Cb 1.31 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 3h22 h HIS 225 CO 0.00 0.81 -0.05 0.28 -0.00 0.00 0.00 177.93 178.97 3h22 h VAL 226 N 1.00 0.88 0.00 5.26 2.07 -1.29 -3.36 116.25 120.81 3h22 h VAL 226 Ca 0.24 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 3h22 h VAL 226 Cb 0.20 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3h22 h VAL 226 CO -0.02 0.25 -0.08 -0.07 0.02 0.00 0.00 177.57 177.68 3h22 h LEU 227 N -0.91 0.00 -2.94 2.57 3.38 -1.07 -3.48 115.31 112.87 3h22 h LEU 227 Ca -0.02 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.62 3h22 h LEU 227 Cb 0.53 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.38 3h22 h LEU 227 CO 0.02 0.08 -0.81 -0.67 0.09 0.00 0.00 178.44 177.15 3h22 n ASP 228 N -3.13 -5.99 -3.80 -0.43 2.03 0.12 -5.04 116.55 100.31 3h22 n ASP 228 Ca 0.03 -0.81 -0.13 0.00 0.52 0.00 0.00 54.79 54.40 3h22 n ASP 228 Cb 0.50 -4.02 -0.14 0.00 -0.72 0.00 0.00 41.12 36.74 3h22 n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h22 s LEU 229 N -5.77 1.22 0.97 -2.67 1.43 -1.22 -5.07 118.68 107.58 3h22 s LEU 229 Ca 0.38 0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.57 3h22 s LEU 229 Cb -0.11 0.30 0.08 0.00 0.03 0.00 0.00 46.19 46.49 3h22 s LEU 229 CO 0.82 -0.09 0.55 -0.81 0.23 0.00 0.00 176.35 177.05 3h22 n PRO 230 N 3.61 -0.59 -0.07 1.29 -0.04 -1.26 -4.48 135.00 133.45 3h22 n PRO 230 Ca -0.20 -0.13 0.19 0.00 -0.04 0.00 0.00 63.50 63.33 3h22 n PRO 230 Cb 0.55 -1.97 0.62 0.00 -0.04 0.00 0.00 33.50 32.67 3h22 n PRO 230 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3h22 h VAL 231 N -1.76 0.74 -0.00 0.52 3.04 -1.98 0.63 116.25 117.44 3h22 h VAL 231 Ca -0.45 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 3h22 h VAL 231 Cb 1.29 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3h22 h VAL 231 CO 0.37 0.03 -0.07 -1.84 -1.01 0.00 0.00 177.57 175.05 3h22 n GLU 232 N -4.41 0.68 -1.35 4.17 0.00 -1.26 -3.61 120.64 114.87 3h22 n GLU 232 Ca 0.12 -0.17 -0.22 0.00 0.00 0.00 0.00 57.16 56.90 3h22 n GLU 232 Cb 0.60 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.66 3h22 n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h22 n GLU 233 N -1.02 2.62 -0.12 3.44 -0.58 0.21 -4.74 120.64 120.46 3h22 n GLU 233 Ca 0.16 -3.46 0.04 0.00 -0.42 0.00 0.00 57.16 53.47 3h22 n GLU 233 Cb 0.25 -2.13 0.11 0.00 -0.57 0.00 0.00 31.44 29.09 3h22 n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h22 n ARG 234 N -0.96 2.91 -0.01 3.49 1.74 -1.24 -4.78 116.66 117.82 3h22 n ARG 234 Ca 0.49 -1.88 -0.10 0.00 -0.77 0.00 0.00 57.85 55.59 3h22 n ARG 234 Cb 0.98 -1.19 -0.04 0.00 -1.02 0.00 0.00 32.46 31.19 3h22 n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h22 h LEU 235 N 1.39 -0.07 -0.38 0.55 5.85 -1.88 -0.41 115.31 120.37 3h22 h LEU 235 Ca 0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3h22 h LEU 235 Cb 0.66 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3h22 h LEU 235 CO 0.00 -0.02 0.05 -0.33 -0.34 0.00 0.00 178.44 177.80 3h22 h GLU 236 N 0.03 0.63 -0.48 1.25 3.07 -1.99 -0.59 114.58 116.51 3h22 h GLU 236 Ca 0.06 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.66 3h22 h GLU 236 Cb 0.08 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 3h22 h GLU 236 CO -0.11 0.70 -0.03 0.78 -1.40 0.00 0.00 179.01 178.96 3h22 h GLY 237 N 0.47 0.87 0.95 -3.84 0.00 -1.86 -1.18 103.07 98.48 3h22 h GLY 237 Ca 0.11 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3h22 h GLY 237 CO 0.01 0.56 0.17 -0.84 0.00 0.00 0.00 176.54 176.44 3h22 h THR 238 N 0.75 1.20 -0.48 4.70 2.02 -1.05 -2.57 112.91 117.49 3h22 h THR 238 Ca 0.14 -0.64 0.10 0.00 0.77 0.00 0.00 66.41 66.78 3h22 h THR 238 Cb 0.50 0.81 -0.10 0.00 -1.74 0.00 0.00 68.15 67.62 3h22 h THR 238 CO 0.03 0.23 -0.21 1.23 0.37 0.00 0.00 175.52 177.17 3h22 h GLY 239 N 0.56 0.15 0.83 2.16 0.00 -0.68 -1.10 103.07 104.98 3h22 h GLY 239 Ca 0.14 0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.77 3h22 h GLY 239 CO -0.01 -0.21 0.31 0.00 0.00 0.00 0.00 176.54 176.63 3h22 h ALA 240 N 1.24 0.70 -0.57 3.60 0.00 -1.12 -1.01 119.26 122.10 3h22 h ALA 240 Ca 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3h22 h ALA 240 Cb 0.45 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3h22 h ALA 240 CO -0.55 0.01 0.27 1.79 0.00 0.00 0.00 179.25 180.78 3h22 h THR 241 N 0.61 1.21 -0.21 0.00 1.35 -1.03 -1.67 112.91 113.17 3h22 h THR 241 Ca 0.23 -0.58 0.02 0.00 -0.55 0.00 0.00 66.41 65.53 3h22 h THR 241 Cb 0.06 0.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 3h22 h THR 241 CO -0.12 0.23 0.06 0.58 -0.25 0.00 0.00 175.52 176.03 3h22 h VAL 242 N 0.77 0.94 0.46 6.82 2.07 -0.99 0.14 116.25 126.45 3h22 h VAL 242 Ca 0.19 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3h22 h VAL 242 Cb 0.12 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3h22 h VAL 242 CO -0.02 0.03 -0.23 0.00 0.02 0.00 0.00 177.57 177.37 3h22 h LEU 244 N -0.63 -0.05 -0.83 0.00 5.85 -1.30 -0.28 115.31 118.08 3h22 h LEU 244 Ca -0.06 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.80 3h22 h LEU 244 Cb 0.49 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.48 3h22 h LEU 244 CO 0.10 0.01 -0.44 0.61 -0.34 0.00 0.00 178.44 178.38 3h22 n GLY 245 N -1.20 -2.02 0.24 3.75 0.00 0.47 -0.10 105.19 106.34 3h22 n GLY 245 Ca -0.01 0.97 -0.08 0.00 0.00 0.00 0.00 46.02 46.90 3h22 n GLY 245 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h22 h ILE 246 N 0.00 1.28 -0.20 -0.61 2.04 -0.64 -2.28 117.51 117.11 3h22 h ILE 246 Ca 0.19 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 64.49 3h22 h ILE 246 Cb 0.40 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3h22 h ILE 246 CO -0.80 0.48 -0.23 -0.08 0.00 0.00 0.00 178.15 177.51 3h22 h GLU 247 N 0.56 0.36 -0.00 2.37 4.22 -0.42 -2.33 114.58 119.34 3h22 h GLU 247 Ca 0.06 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.38 3h22 h GLU 247 Cb 0.84 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3h22 h GLU 247 CO 0.07 0.58 0.00 1.63 -2.18 0.00 0.00 179.01 179.11 3h22 n LYS 248 N -4.15 1.11 0.00 1.92 5.02 0.86 -4.90 118.16 118.01 3h22 n LYS 248 Ca -0.01 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3h22 n LYS 248 Cb 0.37 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3h22 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h22 n GLY 249 N 1.01 1.23 3.82 0.72 0.00 -0.87 -4.00 105.19 107.11 3h22 n GLY 249 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 3h22 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h22 n GLU 251 N -0.28 0.66 -4.27 0.00 4.71 0.11 -4.72 120.64 116.86 3h22 n GLU 251 Ca 0.04 0.17 -0.20 0.00 -0.01 0.00 0.00 57.16 57.16 3h22 n GLU 251 Cb 0.53 -1.67 -0.11 0.00 -1.01 0.00 0.00 31.44 29.18 3h22 n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h22 s PHE 252 N -2.55 1.59 -0.01 -0.32 0.40 -0.90 -1.49 117.98 114.69 3h22 s PHE 252 Ca -0.10 -0.49 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 3h22 s PHE 252 Cb 0.07 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 42.76 3h22 s PHE 252 CO 0.81 0.21 -0.14 0.14 0.70 0.00 0.00 175.22 176.93 3h22 s VAL 253 N -1.84 1.14 -0.42 -0.44 -7.23 -0.35 -1.78 120.40 109.48 3h22 s VAL 253 Ca 0.09 -0.62 -0.12 0.00 -1.81 0.00 0.00 61.98 59.52 3h22 s VAL 253 Cb -0.07 -0.95 0.06 0.00 0.56 0.00 0.00 36.38 35.98 3h22 s VAL 253 CO 0.04 0.32 0.29 -0.60 -0.31 0.00 0.00 175.10 174.84 3h22 s ARG 254 N -0.35 2.81 0.05 4.82 3.52 0.24 -0.89 118.95 129.16 3h22 s ARG 254 Ca 0.06 -1.28 0.04 0.00 -0.13 0.00 0.00 55.73 54.41 3h22 s ARG 254 Cb -0.06 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.41 3h22 s ARG 254 CO -0.01 -0.89 -0.12 0.14 -0.81 0.00 0.00 175.30 173.61 3h22 s VAL 255 N 1.55 0.92 -0.03 7.11 -7.23 -0.17 -3.99 120.40 118.56 3h22 s VAL 255 Ca 0.03 -1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 58.90 3h22 s VAL 255 Cb -0.22 -0.90 -0.32 0.00 0.56 0.00 0.00 36.38 35.50 3h22 s VAL 255 CO 0.06 -0.22 0.82 0.45 -0.31 0.00 0.00 175.10 175.90 3h22 h HIS 256 N 4.53 0.76 -1.52 2.82 3.86 -1.88 -2.14 115.15 121.57 3h22 h HIS 256 Ca -0.38 -0.55 -0.75 0.00 -1.16 0.00 0.00 60.37 57.52 3h22 h HIS 256 Cb 1.19 -0.03 -0.15 0.00 1.06 0.00 0.00 27.41 29.48 3h22 h HIS 256 CO 0.61 1.56 1.90 -0.25 0.86 0.00 0.00 177.93 182.60 3h22 n ASP 257 N -3.78 5.07 -0.08 2.45 9.92 -1.26 -4.76 116.55 124.10 3h22 n ASP 257 Ca -0.20 -3.06 -0.07 0.00 -0.53 0.00 0.00 54.79 50.93 3h22 n ASP 257 Cb 1.02 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 3h22 n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h22 h VAL 258 N 4.04 0.83 0.11 2.53 2.07 -1.93 -2.44 116.25 121.46 3h22 h VAL 258 Ca 0.38 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.87 3h22 h VAL 258 Cb 0.70 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3h22 h VAL 258 CO 1.53 0.03 -0.49 0.50 0.02 0.00 0.00 177.57 179.16 3h22 h LYS 259 N 0.14 -0.68 -0.64 1.57 3.64 -1.90 -0.78 116.57 117.92 3h22 h LYS 259 Ca 0.14 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3h22 h LYS 259 Cb 0.17 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3h22 h LYS 259 CO -0.20 -0.46 0.37 0.93 -2.27 0.00 0.00 179.45 177.82 3h22 h GLU 260 N -0.71 0.88 0.00 1.90 3.07 -1.88 -2.85 114.58 115.00 3h22 h GLU 260 Ca 0.01 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 58.69 3h22 h GLU 260 Cb 0.73 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3h22 h GLU 260 CO -0.28 0.65 -0.41 0.52 -1.40 0.00 0.00 179.01 178.09 3h22 h MET 261 N 0.87 0.00 -0.32 2.33 2.86 -1.38 -1.93 114.93 117.36 3h22 h MET 261 Ca 0.23 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.77 3h22 h MET 261 Cb 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3h22 h MET 261 CO -0.04 0.41 -0.22 0.77 1.06 0.00 0.00 176.91 178.89 3h22 h SER 262 N 0.00 0.61 -0.19 1.22 0.02 -1.00 0.26 113.55 114.47 3h22 h SER 262 Ca -0.00 -0.21 -0.19 0.00 -0.84 0.00 0.00 61.79 60.55 3h22 h SER 262 Cb 1.27 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.65 3h22 h SER 262 CO 0.05 0.83 -0.61 0.03 -1.14 0.00 0.00 176.83 175.99 3h22 h ARG 263 N 0.54 0.75 0.25 3.45 3.08 -1.23 -1.94 114.38 119.29 3h22 h ARG 263 Ca 0.08 -0.55 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 3h22 h ARG 263 Cb 0.67 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3h22 h ARG 263 CO 0.05 1.17 -0.12 0.52 -1.07 0.00 0.00 179.97 180.52 3h22 h MET 264 N 0.48 -0.33 -0.76 0.04 2.86 -1.32 -2.07 114.93 113.84 3h22 h MET 264 Ca -0.02 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 3h22 h MET 264 Cb 1.23 0.07 -0.14 0.00 0.06 0.00 0.00 31.60 32.83 3h22 h MET 264 CO 0.13 -0.11 -0.06 0.00 1.06 0.00 0.00 176.91 177.93 3h22 h ALA 265 N 0.21 0.70 -0.60 6.32 0.00 -0.98 -0.64 119.26 124.26 3h22 h ALA 265 Ca -0.03 0.26 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3h22 h ALA 265 Cb 0.37 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3h22 h ALA 265 CO 0.06 -0.43 0.15 -0.22 0.00 0.00 0.00 179.25 178.81 3h22 h LYS 266 N 0.06 0.96 -0.37 0.00 3.64 -1.26 -0.07 116.57 119.53 3h22 h LYS 266 Ca 0.40 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3h22 h LYS 266 Cb 0.68 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3h22 h LYS 266 CO -0.71 0.88 0.06 1.98 -2.27 0.00 0.00 179.45 179.40 3h22 h MET 267 N 0.87 0.61 -0.22 1.90 4.05 -0.65 -2.04 114.93 119.44 3h22 h MET 267 Ca 0.19 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.47 3h22 h MET 267 Cb 0.35 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 3h22 h MET 267 CO 0.00 0.67 0.05 0.52 0.23 0.00 0.00 176.91 178.38 3h22 h MET 268 N 0.45 0.14 -0.37 0.39 2.86 -0.81 -2.39 114.93 115.20 3h22 h MET 268 Ca 0.11 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 3h22 h MET 268 Cb 0.35 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.90 3h22 h MET 268 CO 0.01 0.09 -0.23 -0.44 1.06 0.00 0.00 176.91 177.40 3h22 h ASP 269 N 0.14 -0.77 -0.61 1.22 3.45 -0.94 0.20 116.42 119.10 3h22 h ASP 269 Ca 0.10 0.16 0.08 0.00 0.43 0.00 0.00 57.03 57.79 3h22 h ASP 269 Cb 0.09 0.39 -0.06 0.00 -0.56 0.00 0.00 39.33 39.19 3h22 h ASP 269 CO -0.12 -0.26 0.28 0.00 -1.57 0.00 0.00 179.24 177.57 3h22 h ALA 270 N 1.01 0.81 0.49 3.45 0.00 -0.90 -1.17 119.26 122.94 3h22 h ALA 270 Ca 0.18 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3h22 h ALA 270 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h22 h ALA 270 CO -0.47 -0.11 -0.24 0.52 0.00 0.00 0.00 179.25 178.95 3h22 h MET 271 N 0.51 -0.64 0.00 0.00 2.86 -0.94 -3.10 114.93 113.63 3h22 h MET 271 Ca 0.30 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 3h22 h MET 271 Cb 0.30 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3h22 h MET 271 CO -0.25 -0.42 0.02 -0.84 1.06 0.00 0.00 176.91 176.48 3h22 h ILE 272 N -0.95 0.00 -0.47 -1.22 3.07 -0.60 -3.45 117.51 113.89 3h22 h ILE 272 Ca -0.07 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.34 3h22 h ILE 272 Cb 0.51 0.49 0.00 0.00 -0.27 0.00 0.00 36.82 37.54 3h22 h ILE 272 CO 0.11 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.82 3h22 n GLY 273 N -1.29 0.89 0.86 0.16 0.00 -0.55 -5.08 105.19 100.19 3h22 n GLY 273 Ca -0.01 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.54 3h22 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49