#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h21 s TRP 3 N 0.00 3.51 -0.64 5.64 0.52 -1.26 -4.94 118.94 121.77 3h21 s TRP 3 Ca 0.00 0.88 0.16 0.00 0.02 0.00 0.00 56.10 57.16 3h21 s TRP 3 Cb 0.00 -2.55 0.75 0.00 -1.15 0.00 0.00 33.47 30.52 3h21 s TRP 3 CO 0.00 0.17 1.67 -0.40 0.02 0.00 0.00 176.95 178.41 3h21 n ASP 4 N 3.69 5.16 -4.18 2.95 3.85 -1.26 -4.91 116.55 121.85 3h21 n ASP 4 Ca -0.07 -2.72 -0.13 0.00 -0.71 0.00 0.00 54.79 51.17 3h21 n ASP 4 Cb 0.52 -0.62 -0.10 0.00 -1.35 0.00 0.00 41.12 39.56 3h21 n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h21 s TYR 5 N -2.35 1.22 0.06 2.11 -0.85 -1.26 -5.17 117.35 111.12 3h21 s TYR 5 Ca 0.52 -1.37 0.04 0.00 -0.52 0.00 0.00 57.07 55.74 3h21 s TYR 5 Cb 0.37 -0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 3h21 s TYR 5 CO 0.19 -0.62 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.07 3h21 s ASP 6 N -3.19 4.88 -0.25 -0.18 1.01 -1.26 -4.54 116.67 113.14 3h21 s ASP 6 Ca 0.39 -0.17 -0.29 0.00 0.71 0.00 0.00 52.55 53.19 3h21 s ASP 6 Cb 0.07 -1.15 -0.02 0.00 1.01 0.00 0.00 42.92 42.83 3h21 s ASP 6 CO 0.13 0.21 1.58 -0.76 0.21 0.00 0.00 175.17 176.54 3h21 s LEU 7 N -2.00 3.84 -0.34 1.23 1.43 -0.37 -4.91 118.68 117.56 3h21 s LEU 7 Ca 0.22 1.49 -0.17 0.00 -1.03 0.00 0.00 54.13 54.64 3h21 s LEU 7 Cb -0.11 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 3h21 s LEU 7 CO 0.14 -1.28 0.46 -0.13 0.23 0.00 0.00 176.35 175.77 3h21 s ARG 8 N 4.71 3.65 -0.55 1.70 1.81 -1.26 -0.71 118.95 128.29 3h21 s ARG 8 Ca 0.69 -0.20 0.07 0.00 -1.72 0.00 0.00 55.73 54.57 3h21 s ARG 8 Cb -0.23 -3.79 0.28 0.00 -0.45 0.00 0.00 34.95 30.76 3h21 s ARG 8 CO 0.29 -0.57 0.75 0.00 -0.68 0.00 0.00 175.30 175.09 3h21 n GLY 10 N 0.65 2.05 0.28 0.00 0.00 -1.26 -1.82 105.19 105.09 3h21 n GLY 10 Ca 0.28 0.43 0.18 0.00 0.00 0.00 0.00 46.02 46.90 3h21 n GLY 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h21 h GLU 11 N 0.00 0.00 -6.48 1.61 4.11 -2.01 -3.44 114.58 108.37 3h21 h GLU 11 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.79 3h21 h GLU 11 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 3h21 h GLU 11 CO 0.00 0.01 -0.72 0.71 0.07 0.00 0.00 179.01 179.07 3h21 s TYR 12 N -3.71 2.68 -0.07 2.06 1.51 -0.76 -5.13 117.35 113.93 3h21 s TYR 12 Ca 0.01 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 3h21 s TYR 12 Cb 0.09 -1.34 -0.00 0.00 -0.11 0.00 0.00 41.96 40.61 3h21 s TYR 12 CO 0.54 0.48 -0.20 0.99 -1.11 0.00 0.00 175.55 176.25 3h21 s THR 13 N -1.55 1.67 -0.28 -0.71 2.01 -1.26 -0.80 115.64 114.71 3h21 s THR 13 Ca 0.24 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 3h21 s THR 13 Cb -0.09 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 70.97 3h21 s THR 13 CO 0.15 0.47 0.07 -0.76 -0.69 0.00 0.00 174.62 173.86 3h21 s LEU 14 N 0.21 3.74 -0.12 4.42 1.43 0.11 -4.97 118.68 123.51 3h21 s LEU 14 Ca -0.10 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.09 3h21 s LEU 14 Cb -0.15 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3h21 s LEU 14 CO 0.05 -0.16 1.14 0.21 0.23 0.00 0.00 176.35 177.82 3h21 s ASN 15 N 1.52 7.09 0.00 2.29 3.84 -1.26 -1.24 114.94 127.18 3h21 s ASN 15 Ca 0.03 1.65 0.29 0.00 0.21 0.00 0.00 52.86 55.04 3h21 s ASN 15 Cb -0.17 -2.55 1.22 0.00 -0.55 0.00 0.00 41.25 39.21 3h21 s ASN 15 CO 0.02 -0.60 1.87 0.18 -2.79 0.00 0.00 177.10 175.78 3h21 n LEU 16 N 5.61 0.31 -0.06 3.21 4.77 -1.26 -4.12 117.00 125.45 3h21 n LEU 16 Ca 0.11 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.17 3h21 n LEU 16 Cb 0.47 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 3h21 n LEU 16 CO 0.54 0.06 -0.92 0.59 -1.33 0.00 0.00 177.39 176.33 3h21 n ASN 17 N -1.15 1.74 0.09 -1.43 3.02 -1.26 -4.71 115.26 111.56 3h21 n ASN 17 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.51 3h21 n ASN 17 Cb 0.28 0.86 -0.14 0.00 -0.61 0.00 0.00 39.78 40.17 3h21 n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h21 h GLU 18 N 0.00 0.26 -3.51 3.52 4.11 -1.89 -3.46 114.58 113.61 3h21 h GLU 18 Ca -0.35 -0.45 -0.06 0.00 0.07 0.00 0.00 59.36 58.58 3h21 h GLU 18 Cb 1.77 0.17 -0.13 0.00 0.50 0.00 0.00 28.75 31.06 3h21 h GLU 18 CO 0.02 1.18 -0.14 -1.59 0.07 0.00 0.00 179.01 178.55 3h21 s LYS 19 N -2.64 1.10 0.20 1.06 -2.85 -1.26 -4.88 119.74 110.46 3h21 s LYS 19 Ca -0.05 -0.84 -0.30 0.00 -1.00 0.00 0.00 55.97 53.78 3h21 s LYS 19 Cb 0.07 0.45 -0.09 0.00 -2.06 0.00 0.00 37.83 36.19 3h21 s LYS 19 CO 0.87 -0.42 1.39 0.99 0.10 0.00 0.00 175.35 178.28 3h21 s THR 20 N -3.85 2.99 -0.06 3.79 2.01 -1.26 -4.82 115.64 114.45 3h21 s THR 20 Ca 0.06 0.79 -0.11 0.00 0.31 0.00 0.00 61.69 62.74 3h21 s THR 20 Cb 0.02 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 3h21 s THR 20 CO -0.09 0.11 0.29 -0.76 -0.69 0.00 0.00 174.62 173.48 3h21 s LEU 21 N 0.12 4.42 -0.25 4.42 1.43 -0.14 -4.96 118.68 123.72 3h21 s LEU 21 Ca 0.60 0.73 -0.08 0.00 -1.03 0.00 0.00 54.13 54.35 3h21 s LEU 21 Cb -0.39 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 3h21 s LEU 21 CO 0.38 0.34 0.09 -0.63 0.23 0.00 0.00 176.35 176.76 3h21 s ILE 22 N -0.94 4.44 -0.26 -0.59 -1.09 -1.26 -0.98 121.20 120.53 3h21 s ILE 22 Ca 0.20 -0.13 -0.09 0.00 -2.23 0.00 0.00 60.65 58.40 3h21 s ILE 22 Cb -0.14 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 3h21 s ILE 22 CO 0.09 0.33 0.12 -0.32 -1.23 0.00 0.00 174.94 173.93 3h21 s MET 23 N 1.62 3.82 -0.10 2.79 -2.45 -0.07 -0.45 119.30 124.45 3h21 s MET 23 Ca 0.06 -0.39 -0.22 0.00 -1.25 0.00 0.00 55.69 53.89 3h21 s MET 23 Cb -0.15 -3.46 -0.03 0.00 1.25 0.00 0.00 34.83 32.43 3h21 s MET 23 CO 0.05 -0.14 0.67 0.20 1.05 0.00 0.00 175.02 176.84 3h21 s GLY 24 N 1.56 2.45 -0.24 2.11 0.00 0.13 -1.11 107.32 112.23 3h21 s GLY 24 Ca 0.06 0.01 -0.27 0.00 0.00 0.00 0.00 44.72 44.53 3h21 s GLY 24 CO 0.06 1.19 0.92 -0.42 0.00 0.00 0.00 173.10 174.86 3h21 s ILE 25 N 1.08 4.77 -0.26 0.90 1.01 -0.28 -1.15 121.20 127.27 3h21 s ILE 25 Ca 0.35 1.78 -0.27 0.00 0.00 0.00 0.00 60.65 62.50 3h21 s ILE 25 Cb -0.17 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.10 3h21 s ILE 25 CO 0.15 -0.12 0.95 -0.22 0.00 0.00 0.00 174.94 175.70 3h21 s LEU 26 N 2.99 4.06 -0.36 2.97 2.96 -0.02 -4.84 118.68 126.44 3h21 s LEU 26 Ca 0.39 1.10 -0.36 0.00 -0.22 0.00 0.00 54.13 55.04 3h21 s LEU 26 Cb -0.15 -3.37 -0.12 0.00 0.50 0.00 0.00 46.19 43.05 3h21 s LEU 26 CO 0.07 -0.66 2.18 0.59 -1.32 0.00 0.00 176.35 177.21 3h21 n ASN 27 N 6.33 2.00 -2.42 3.68 5.03 -1.26 -4.58 115.26 124.03 3h21 n ASN 27 Ca 0.09 0.44 -0.28 0.00 0.87 0.00 0.00 54.58 55.70 3h21 n ASN 27 Cb 0.47 -1.23 0.01 0.00 -1.02 0.00 0.00 39.78 38.02 3h21 n ASN 27 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3h21 n VAL 28 N 7.11 2.60 -1.55 2.41 0.24 -1.26 -4.58 118.33 123.30 3h21 n VAL 28 Ca 0.43 -4.63 -0.33 0.00 -2.04 0.00 0.00 64.34 57.77 3h21 n VAL 28 Cb 0.20 -1.23 -0.04 0.00 -1.47 0.00 0.00 33.84 31.30 3h21 n VAL 28 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3h21 n THR 29 N -0.56 -0.07 -1.93 3.34 -1.04 -1.26 -4.93 114.28 107.83 3h21 n THR 29 Ca 0.43 -0.73 -0.39 0.00 -2.04 0.00 0.00 64.05 61.32 3h21 n THR 29 Cb 0.68 -2.57 0.01 0.00 -1.82 0.00 0.00 70.33 66.63 3h21 n THR 29 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3h21 s PRO 30 N 8.42 3.62 -0.26 -2.82 0.04 -1.26 -4.78 135.00 137.95 3h21 s PRO 30 Ca 0.99 2.20 -0.29 0.00 0.04 0.00 0.00 61.00 63.94 3h21 s PRO 30 Cb -0.22 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 3h21 s PRO 30 CO 0.24 -0.80 1.55 -0.51 0.04 0.00 0.00 177.00 177.52 3h21 s ASP 31 N -0.82 6.41 0.34 6.66 1.11 -1.26 -5.01 116.67 124.11 3h21 s ASP 31 Ca 0.63 1.46 -0.28 0.00 0.18 0.00 0.00 52.55 54.54 3h21 s ASP 31 Cb -0.39 -2.53 -0.12 0.00 1.07 0.00 0.00 42.92 40.95 3h21 s ASP 31 CO 0.49 -1.26 1.36 -1.20 1.18 0.00 0.00 175.17 175.74 3h21 n SER 32 N 8.41 3.07 0.00 0.27 7.64 -1.26 -1.86 113.62 129.89 3h21 n SER 32 Ca 0.18 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.27 3h21 n SER 32 Cb 0.46 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 3h21 n SER 32 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3h21 n PHE 33 N 0.53 0.00 -3.35 1.43 3.01 -1.26 -5.03 117.46 112.79 3h21 n PHE 33 Ca 0.04 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.18 3h21 n PHE 33 Cb 0.36 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.78 3h21 n PHE 33 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3h21 s SER 34 N -0.81 6.66 0.38 4.37 0.15 -0.78 -4.99 113.70 118.68 3h21 s SER 34 Ca 0.00 1.01 0.23 0.00 0.70 0.00 0.00 55.95 57.88 3h21 s SER 34 Cb 0.00 -2.26 0.25 0.00 -1.71 0.00 0.00 66.02 62.30 3h21 s SER 34 CO 0.00 -0.10 1.47 0.44 1.20 0.00 0.00 173.24 176.24 3h21 h ASP 35 N 2.48 0.00 0.00 5.45 5.19 -1.96 -3.46 116.42 124.11 3h21 h ASP 35 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 3h21 h ASP 35 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 3h21 h ASP 35 CO 0.68 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 177.43 3h21 n GLY 36 N 1.12 4.27 0.00 2.75 0.00 -1.26 -3.80 105.19 108.28 3h21 n GLY 36 Ca 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3h21 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h21 n GLY 37 N -0.97 1.85 3.70 -0.02 0.00 -1.26 -4.86 105.19 103.63 3h21 n GLY 37 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3h21 n GLY 37 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h21 n SER 38 N 0.00 1.95 -0.31 1.61 7.64 -1.26 -4.81 113.62 118.45 3h21 n SER 38 Ca 0.00 0.88 -0.02 0.00 1.01 0.00 0.00 58.87 60.73 3h21 n SER 38 Cb 0.00 -1.52 0.10 0.00 -1.01 0.00 0.00 64.21 61.78 3h21 n SER 38 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3h21 h TYR 39 N 0.82 1.02 -0.30 1.43 3.20 -1.98 -1.91 116.97 119.25 3h21 h TYR 39 Ca -0.50 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.37 3h21 h TYR 39 Cb 1.33 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 3h21 h TYR 39 CO 0.42 0.60 0.08 -0.91 -1.64 0.00 0.00 178.16 176.71 3h21 h ASN 40 N 1.07 0.45 -0.11 -2.11 2.35 -1.98 -0.23 115.58 115.02 3h21 h ASN 40 Ca 0.33 -0.22 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 3h21 h ASN 40 Cb -0.02 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.24 3h21 h ASN 40 CO -0.11 0.55 -0.53 1.05 -1.65 0.00 0.00 177.43 176.74 3h21 h GLU 41 N 0.33 0.56 0.00 0.81 4.11 -1.85 -1.69 114.58 116.84 3h21 h GLU 41 Ca 0.10 -0.45 -0.08 0.00 0.07 0.00 0.00 59.36 58.99 3h21 h GLU 41 Cb 0.27 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3h21 h GLU 41 CO -0.00 1.08 -0.39 0.28 0.07 0.00 0.00 179.01 180.04 3h21 h VAL 42 N 0.17 1.22 0.16 -1.06 2.07 -1.37 -1.35 116.25 116.09 3h21 h VAL 42 Ca -0.04 -1.37 -0.22 0.00 0.82 0.00 0.00 66.70 65.89 3h21 h VAL 42 Cb 1.17 1.75 0.03 0.00 -1.52 0.00 0.00 31.29 32.72 3h21 h VAL 42 CO 0.11 0.38 -0.98 -0.78 0.02 0.00 0.00 177.57 176.33 3h21 h ASP 43 N 0.00 0.58 -0.50 0.57 3.58 -1.05 -1.21 116.42 118.39 3h21 h ASP 43 Ca -0.00 -0.93 0.03 0.00 0.42 0.00 0.00 57.03 56.55 3h21 h ASP 43 Cb 0.72 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 3h21 h ASP 43 CO 0.05 1.47 0.29 0.00 -2.88 0.00 0.00 179.24 178.17 3h21 h ALA 44 N 0.12 0.64 -0.28 -0.78 0.00 -1.32 -0.94 119.26 116.70 3h21 h ALA 44 Ca -0.17 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3h21 h ALA 44 Cb 1.76 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.34 3h21 h ALA 44 CO 0.18 -0.02 -0.28 0.00 0.00 0.00 0.00 179.25 179.14 3h21 h ALA 45 N 1.23 -0.18 -0.68 0.00 0.00 -1.23 0.22 119.26 118.63 3h21 h ALA 45 Ca 0.20 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3h21 h ALA 45 Cb 0.04 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3h21 h ALA 45 CO -0.10 -0.70 0.17 0.28 0.00 0.00 0.00 179.25 178.89 3h21 h VAL 46 N -0.27 1.26 -0.41 0.00 2.07 -1.05 -0.80 116.25 117.04 3h21 h VAL 46 Ca 0.14 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 3h21 h VAL 46 Cb 0.50 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3h21 h VAL 46 CO -0.44 0.36 -0.11 0.03 0.02 0.00 0.00 177.57 177.43 3h21 h ARG 47 N 1.02 0.80 -0.54 1.57 3.08 -0.92 -1.14 114.38 118.25 3h21 h ARG 47 Ca 0.22 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3h21 h ARG 47 Cb 0.35 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3h21 h ARG 47 CO 0.00 0.93 0.36 1.25 -1.07 0.00 0.00 179.97 181.44 3h21 h HIS 48 N 0.62 0.68 -0.70 3.04 2.76 -0.79 -1.63 115.15 119.13 3h21 h HIS 48 Ca 0.10 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3h21 h HIS 48 Cb 0.64 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 3h21 h HIS 48 CO 0.05 0.43 0.43 0.00 -1.30 0.00 0.00 177.93 177.54 3h21 h ALA 49 N 1.20 1.44 -0.21 5.26 0.00 -0.96 -0.90 119.26 125.08 3h21 h ALA 49 Ca 0.20 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3h21 h ALA 49 Cb -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3h21 h ALA 49 CO -0.04 0.49 -0.38 0.87 0.00 0.00 0.00 179.25 180.18 3h21 h LYS 50 N 0.96 0.64 -0.02 0.00 1.57 -0.86 0.11 116.57 118.97 3h21 h LYS 50 Ca 0.25 -0.40 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3h21 h LYS 50 Cb -0.05 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3h21 h LYS 50 CO -0.05 1.02 -0.11 1.49 -0.57 0.00 0.00 179.45 181.23 3h21 h GLU 51 N 0.33 -0.18 -0.94 3.15 4.81 -1.20 -0.21 114.58 120.35 3h21 h GLU 51 Ca 0.01 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3h21 h GLU 51 Cb 0.98 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 3h21 h GLU 51 CO 0.09 -0.12 0.57 0.52 -0.73 0.00 0.00 179.01 179.34 3h21 h MET 52 N -0.18 1.27 -0.63 1.92 2.86 -1.07 -0.12 114.93 118.98 3h21 h MET 52 Ca 0.05 -0.11 0.08 0.00 -2.06 0.00 0.00 59.70 57.65 3h21 h MET 52 Cb 0.24 -0.27 -0.06 0.00 0.06 0.00 0.00 31.60 31.57 3h21 h MET 52 CO -0.12 0.88 0.30 -0.09 1.06 0.00 0.00 176.91 178.94 3h21 h ARG 53 N 1.29 0.51 0.00 1.72 1.12 -0.54 -1.70 114.38 116.79 3h21 h ARG 53 Ca 0.34 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 59.10 3h21 h ARG 53 Cb -0.06 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 29.77 3h21 h ARG 53 CO -0.06 0.34 -0.35 -0.44 -3.11 0.00 0.00 179.97 176.35 3h21 h ASP 54 N 0.53 0.00 -0.01 -3.80 3.32 0.14 -2.83 116.42 113.77 3h21 h ASP 54 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3h21 h ASP 54 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3h21 h ASP 54 CO -0.25 0.35 -0.00 -0.62 -1.72 0.00 0.00 179.24 177.00 3h21 n GLU 55 N -3.66 1.47 0.00 3.56 1.02 -0.17 -4.93 120.64 117.92 3h21 n GLU 55 Ca -0.01 -0.68 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 3h21 n GLU 55 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3h21 n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h21 n GLY 56 N 1.12 1.26 3.76 0.62 0.00 -1.07 -4.30 105.19 106.60 3h21 n GLY 56 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3h21 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h21 s ALA 57 N -2.00 2.94 -0.05 4.61 0.00 -0.68 -4.71 121.76 121.88 3h21 s ALA 57 Ca 0.00 1.10 0.09 0.00 0.00 0.00 0.00 51.96 53.15 3h21 s ALA 57 Cb 0.00 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 3h21 s ALA 57 CO 0.00 -0.93 0.21 0.72 0.00 0.00 0.00 175.76 175.76 3h21 n HIS 58 N -0.63 0.00 -3.87 0.00 8.25 0.41 -4.71 115.22 114.66 3h21 n HIS 58 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 3h21 n HIS 58 Cb 0.47 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 31.29 3h21 n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h21 s ILE 59 N -2.51 0.05 -0.18 1.59 1.01 -1.00 -3.98 121.20 116.19 3h21 s ILE 59 Ca -0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 3h21 s ILE 59 Cb 0.06 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 3h21 s ILE 59 CO 0.35 -0.23 -0.05 -0.63 0.00 0.00 0.00 174.94 174.38 3h21 s ILE 60 N -0.76 3.63 -0.29 2.92 -1.09 -0.08 -0.69 121.20 124.83 3h21 s ILE 60 Ca -0.08 -0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 57.79 3h21 s ILE 60 Cb -0.05 -2.60 -0.03 0.00 -1.58 0.00 0.00 42.46 38.19 3h21 s ILE 60 CO 0.00 0.47 0.17 -0.62 -1.23 0.00 0.00 174.94 173.73 3h21 s ASP 61 N 0.76 5.79 -0.14 3.58 3.68 -0.30 -0.85 116.67 129.19 3h21 s ASP 61 Ca -0.02 -0.22 0.02 0.00 2.13 0.00 0.00 52.55 54.47 3h21 s ASP 61 Cb -0.15 -2.07 0.01 0.00 -1.45 0.00 0.00 42.92 39.26 3h21 s ASP 61 CO 0.02 -0.11 -0.22 -0.63 0.13 0.00 0.00 175.17 174.36 3h21 s ILE 62 N 1.70 2.10 0.06 4.11 1.01 -0.47 -0.84 121.20 128.88 3h21 s ILE 62 Ca 0.06 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.80 3h21 s ILE 62 Cb -0.16 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 3h21 s ILE 62 CO 0.09 0.55 -0.16 -0.83 0.00 0.00 0.00 174.94 174.59 3h21 s GLY 63 N 0.78 0.92 0.00 6.18 0.00 -1.26 -1.01 107.32 112.93 3h21 s GLY 63 Ca -0.08 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.67 3h21 s GLY 63 CO -0.01 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.73 3h21 n GLY 64 N 1.54 2.04 0.18 0.20 0.00 -1.26 -4.85 105.19 103.05 3h21 n GLY 64 Ca -0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 3h21 n GLY 64 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3h21 h SER 75 N 0.00 0.52 -0.45 1.61 0.87 -2.05 -3.50 113.55 110.55 3h21 h SER 75 Ca 0.00 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.44 3h21 h SER 75 Cb 0.00 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 3h21 h SER 75 CO 0.00 0.54 0.22 0.58 -0.53 0.00 0.00 176.83 177.64 3h21 h VAL 76 N 0.47 0.96 -0.02 2.23 2.07 -2.06 0.13 116.25 120.02 3h21 h VAL 76 Ca 0.13 -0.15 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 3h21 h VAL 76 Cb 0.18 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3h21 h VAL 76 CO -0.01 0.08 -0.65 -0.33 0.02 0.00 0.00 177.57 176.68 3h21 h GLU 77 N 0.44 0.10 -0.49 1.57 4.39 -2.02 -2.85 114.58 115.71 3h21 h GLU 77 Ca 0.20 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 3h21 h GLU 77 Cb 0.11 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3h21 h GLU 77 CO -0.14 0.71 -0.03 1.49 -1.16 0.00 0.00 179.01 179.88 3h21 h GLU 78 N 0.07 0.88 -0.52 2.33 4.81 -1.89 -2.72 114.58 117.54 3h21 h GLU 78 Ca -0.01 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 3h21 h GLU 78 Cb 1.16 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3h21 h GLU 78 CO 0.09 0.93 -0.03 1.49 -0.73 0.00 0.00 179.01 180.76 3h21 h GLU 79 N 0.73 0.89 -0.08 1.92 4.81 -0.66 -2.05 114.58 120.14 3h21 h GLU 79 Ca 0.13 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3h21 h GLU 79 Cb 0.55 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 3h21 h GLU 79 CO 0.03 0.91 0.00 0.82 -0.73 0.00 0.00 179.01 180.04 3h21 h ILE 80 N 0.82 1.24 -0.94 2.32 2.04 -1.53 -1.21 117.51 120.25 3h21 h ILE 80 Ca 0.15 -0.75 0.13 0.00 1.00 0.00 0.00 64.86 65.39 3h21 h ILE 80 Cb 0.53 1.58 -0.09 0.00 -0.74 0.00 0.00 36.82 38.11 3h21 h ILE 80 CO 0.03 0.21 0.56 0.11 0.00 0.00 0.00 178.15 179.06 3h21 h LYS 81 N -0.13 0.83 -0.03 2.37 1.57 -1.40 -0.30 116.57 119.48 3h21 h LYS 81 Ca 0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3h21 h LYS 81 Cb 0.32 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3h21 h LYS 81 CO 0.00 0.55 -0.09 0.00 -0.57 0.00 0.00 179.45 179.34 3h21 h ARG 82 N 0.85 0.11 0.02 3.15 3.08 -1.25 -3.38 114.38 116.96 3h21 h ARG 82 Ca 0.48 -0.08 -0.27 0.00 0.07 0.00 0.00 59.98 60.18 3h21 h ARG 82 Cb 0.55 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 3h21 h ARG 82 CO -0.30 0.71 -1.49 -0.24 -1.07 0.00 0.00 179.97 177.58 3h21 h VAL 83 N -0.47 1.13 -0.04 2.04 3.04 -1.11 -3.37 116.25 117.47 3h21 h VAL 83 Ca -0.00 -2.91 0.02 0.00 -1.01 0.00 0.00 66.70 62.80 3h21 h VAL 83 Cb 0.72 2.60 -0.02 0.00 -2.01 0.00 0.00 31.29 32.57 3h21 h VAL 83 CO 0.02 0.69 -0.05 0.58 -1.01 0.00 0.00 177.57 177.80 3h21 h VAL 84 N 0.01 0.86 -0.95 1.51 2.07 -1.24 -1.13 116.25 117.38 3h21 h VAL 84 Ca -0.21 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.49 3h21 h VAL 84 Cb 1.95 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 32.49 3h21 h VAL 84 CO 0.11 0.00 0.60 -0.65 0.02 0.00 0.00 177.57 177.65 3h21 h PRO 85 N -0.07 0.63 -0.09 1.57 0.11 -1.75 -1.19 132.00 131.22 3h21 h PRO 85 Ca 0.04 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3h21 h PRO 85 Cb 0.11 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3h21 h PRO 85 CO -0.08 0.41 -0.25 0.52 -0.21 0.00 0.00 178.00 178.39 3h21 h MET 86 N 0.64 0.32 -0.25 1.05 2.86 -1.61 -1.69 114.93 116.25 3h21 h MET 86 Ca 0.51 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.96 3h21 h MET 86 Cb 0.92 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 3h21 h MET 86 CO -0.26 0.85 -0.03 0.82 1.06 0.00 0.00 176.91 179.34 3h21 h ILE 87 N -0.15 0.78 -0.30 -1.22 2.04 -0.87 -0.70 117.51 117.09 3h21 h ILE 87 Ca -0.01 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3h21 h ILE 87 Cb 0.87 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.61 3h21 h ILE 87 CO 0.05 0.01 -0.26 1.56 0.00 0.00 0.00 178.15 179.51 3h21 h GLN 88 N 0.03 -0.23 0.00 2.37 4.20 -1.27 0.10 115.11 120.33 3h21 h GLN 88 Ca 0.12 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3h21 h GLN 88 Cb 0.17 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3h21 h GLN 88 CO -0.23 -0.15 -0.00 0.00 -0.67 0.00 0.00 178.83 177.77 3h21 h ALA 89 N 0.83 -0.01 -0.36 3.87 0.00 -1.16 -2.75 119.26 119.68 3h21 h ALA 89 Ca 0.15 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3h21 h ALA 89 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3h21 h ALA 89 CO -0.44 -0.46 -0.04 0.28 0.00 0.00 0.00 179.25 178.59 3h21 h VAL 90 N -0.09 1.27 0.00 0.00 2.07 -1.03 -0.39 116.25 118.08 3h21 h VAL 90 Ca -0.00 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.37 3h21 h VAL 90 Cb 0.09 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3h21 h VAL 90 CO 0.00 0.35 -0.39 0.77 0.02 0.00 0.00 177.57 178.32 3h21 h SER 91 N 0.47 0.00 -0.07 0.57 4.64 -1.04 1.09 113.55 119.21 3h21 h SER 91 Ca 0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3h21 h SER 91 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3h21 h SER 91 CO 0.03 0.39 -0.08 0.50 -0.87 0.00 0.00 176.83 176.80 3h21 h LYS 92 N 0.00 0.17 0.00 4.77 3.64 -1.29 -3.38 116.57 120.48 3h21 h LYS 92 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3h21 h LYS 92 Cb 0.75 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3h21 h LYS 92 CO 0.05 0.63 -1.41 0.39 -2.27 0.00 0.00 179.45 176.84 3h21 n GLU 93 N -4.70 0.47 -4.00 1.90 1.02 -0.17 -4.81 120.64 110.35 3h21 n GLU 93 Ca -0.07 -0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.71 3h21 n GLU 93 Cb 0.31 -1.60 -0.16 0.00 -0.02 0.00 0.00 31.44 29.97 3h21 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h21 s VAL 94 N -3.34 1.58 -1.35 2.62 1.01 0.37 -5.03 120.40 116.27 3h21 s VAL 94 Ca -0.01 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 3h21 s VAL 94 Cb 0.13 -1.60 0.11 0.00 0.00 0.00 0.00 36.38 35.02 3h21 s VAL 94 CO 0.85 0.27 1.98 2.29 0.00 0.00 0.00 175.10 180.49 3h21 n LYS 95 N 4.73 3.27 -3.80 2.72 -0.00 -1.26 -4.37 118.16 119.45 3h21 n LYS 95 Ca -0.15 -3.16 -0.13 0.00 -0.00 0.00 0.00 58.31 54.87 3h21 n LYS 95 Cb 0.48 -3.11 -0.09 0.00 -0.00 0.00 0.00 35.03 32.30 3h21 n LYS 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3h21 s LEU 96 N 1.18 1.08 0.65 -5.58 1.02 -1.26 -5.13 118.68 110.64 3h21 s LEU 96 Ca 0.44 -0.01 -0.18 0.00 0.02 0.00 0.00 54.13 54.40 3h21 s LEU 96 Cb 0.10 1.07 -0.01 0.00 0.02 0.00 0.00 46.19 47.38 3h21 s LEU 96 CO -0.03 -0.42 1.28 -2.84 0.02 0.00 0.00 176.35 174.36 3h21 s PRO 97 N -1.34 2.54 -0.06 1.29 0.02 -1.26 -4.80 135.00 131.39 3h21 s PRO 97 Ca -0.14 2.03 0.05 0.00 0.02 0.00 0.00 61.00 62.95 3h21 s PRO 97 Cb -0.06 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 3h21 s PRO 97 CO 0.03 -1.59 -0.20 0.42 -0.33 0.00 0.00 177.00 175.33 3h21 s ILE 98 N -1.45 2.48 -0.06 2.83 1.01 -1.26 -0.90 121.20 123.85 3h21 s ILE 98 Ca 0.82 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 3h21 s ILE 98 Cb -0.36 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3h21 s ILE 98 CO 0.40 0.57 0.01 -0.94 0.00 0.00 0.00 174.94 174.98 3h21 s SER 99 N -0.26 5.28 -0.23 3.58 1.04 -0.03 0.27 113.70 123.33 3h21 s SER 99 Ca 0.00 0.12 -0.15 0.00 0.48 0.00 0.00 55.95 56.40 3h21 s SER 99 Cb -0.13 -1.47 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 3h21 s SER 99 CO 0.03 0.35 0.37 -0.51 0.98 0.00 0.00 173.24 174.46 3h21 s ILE 100 N -0.95 5.20 -0.92 -1.02 1.10 0.17 -1.37 121.20 123.41 3h21 s ILE 100 Ca 0.15 0.60 -0.19 0.00 -0.51 0.00 0.00 60.65 60.71 3h21 s ILE 100 Cb -0.11 -3.70 0.13 0.00 0.15 0.00 0.00 42.46 38.92 3h21 s ILE 100 CO 0.05 0.22 1.13 -0.62 -2.11 0.00 0.00 174.94 173.61 3h21 s ASP 101 N 1.30 6.60 0.07 4.50 3.68 -0.18 -0.62 116.67 132.02 3h21 s ASP 101 Ca 0.16 -1.97 -0.06 0.00 2.13 0.00 0.00 52.55 52.81 3h21 s ASP 101 Cb -0.15 -2.41 -0.01 0.00 -1.45 0.00 0.00 42.92 38.90 3h21 s ASP 101 CO 0.08 -1.10 0.12 0.28 0.13 0.00 0.00 175.17 174.69 3h21 s THR 102 N 2.83 0.16 -1.06 1.71 -1.32 -0.92 -4.22 115.64 112.82 3h21 s THR 102 Ca 0.33 -1.32 0.10 0.00 -1.21 0.00 0.00 61.69 59.60 3h21 s THR 102 Cb -0.05 -1.31 0.21 0.00 -1.51 0.00 0.00 72.50 69.84 3h21 s THR 102 CO -0.09 -0.73 1.09 0.00 -2.21 0.00 0.00 174.62 172.69 3h21 n TYR 103 N 0.12 0.28 -3.97 9.09 0.18 -1.26 -3.75 117.16 117.84 3h21 n TYR 103 Ca -0.15 -0.31 -0.35 0.00 1.88 0.00 0.00 57.90 58.97 3h21 n TYR 103 Cb 0.61 -0.02 -0.10 0.00 -0.38 0.00 0.00 39.34 39.46 3h21 n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h21 s LYS 104 N -0.96 4.00 0.33 -3.48 1.02 -1.26 -3.95 119.74 115.43 3h21 s LYS 104 Ca 0.19 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 55.89 3h21 s LYS 104 Cb 0.11 -3.24 0.58 0.00 -0.52 0.00 0.00 37.83 34.75 3h21 s LYS 104 CO 0.15 0.27 1.83 0.00 -0.92 0.00 0.00 175.35 176.67 3h21 h ALA 105 N 6.70 1.30 -0.14 5.17 0.00 -1.91 -1.52 119.26 128.87 3h21 h ALA 105 Ca -0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 3h21 h ALA 105 Cb 1.17 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3h21 h ALA 105 CO 0.71 0.47 -0.07 1.49 0.00 0.00 0.00 179.25 181.85 3h21 h GLU 106 N 0.40 0.29 -0.78 0.00 4.57 -1.95 -1.25 114.58 115.85 3h21 h GLU 106 Ca 0.07 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3h21 h GLU 106 Cb 0.47 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 3h21 h GLU 106 CO 0.03 0.62 0.42 0.28 -1.18 0.00 0.00 179.01 179.18 3h21 h VAL 107 N -0.04 1.24 0.38 0.32 2.07 -1.87 -1.57 116.25 116.77 3h21 h VAL 107 Ca 0.03 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3h21 h VAL 107 Cb 0.54 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3h21 h VAL 107 CO 0.02 0.27 -0.18 0.00 0.02 0.00 0.00 177.57 177.69 3h21 h ALA 108 N 1.22 -0.51 -0.61 1.67 0.00 -1.19 0.35 119.26 120.18 3h21 h ALA 108 Ca 0.28 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3h21 h ALA 108 Cb 0.05 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3h21 h ALA 108 CO -0.04 -0.73 -0.50 -0.22 0.00 0.00 0.00 179.25 177.76 3h21 h LYS 109 N -0.63 -0.16 -0.68 0.00 3.64 -1.17 -1.21 116.57 116.35 3h21 h LYS 109 Ca -0.05 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.48 3h21 h LYS 109 Cb 0.46 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.22 3h21 h LYS 109 CO 0.09 -0.11 0.18 1.96 -2.27 0.00 0.00 179.45 179.30 3h21 h GLN 110 N -0.17 0.29 -0.56 1.90 1.08 -1.18 -1.88 115.11 114.59 3h21 h GLN 110 Ca 0.10 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.17 3h21 h GLN 110 Cb 0.43 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 3h21 h GLN 110 CO -0.67 0.19 -0.09 0.00 -0.95 0.00 0.00 178.83 177.32 3h21 h ALA 111 N 1.54 0.77 -0.33 3.87 0.00 0.05 0.62 119.26 125.77 3h21 h ALA 111 Ca 0.37 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3h21 h ALA 111 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h21 h ALA 111 CO -0.44 0.68 0.02 0.82 0.00 0.00 0.00 179.25 180.32 3h21 h ILE 112 N 0.94 1.25 -0.41 0.00 2.04 -1.13 0.39 117.51 120.59 3h21 h ILE 112 Ca 0.15 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.18 3h21 h ILE 112 Cb 0.66 1.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.85 3h21 h ILE 112 CO 0.05 0.30 -0.19 -0.33 0.00 0.00 0.00 178.15 177.98 3h21 h GLU 113 N 0.39 -0.10 0.00 2.37 4.39 -1.02 -1.26 114.58 119.34 3h21 h GLU 113 Ca 0.10 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3h21 h GLU 113 Cb 0.41 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3h21 h GLU 113 CO 0.01 -0.07 0.00 0.00 -1.16 0.00 0.00 179.01 177.79 3h21 n ALA 114 N -2.86 1.45 0.00 3.43 0.00 0.21 -4.87 120.51 117.87 3h21 n ALA 114 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3h21 n ALA 114 Cb 0.28 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3h21 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h21 n GLY 115 N -0.48 1.09 3.77 0.00 0.00 -0.48 -3.69 105.19 105.40 3h21 n GLY 115 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3h21 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h21 s ALA 116 N -1.10 3.15 -0.03 4.61 0.00 0.13 -4.78 121.76 123.73 3h21 s ALA 116 Ca 0.00 1.10 0.19 0.00 0.00 0.00 0.00 51.96 53.25 3h21 s ALA 116 Cb 0.00 -3.44 -0.29 0.00 0.00 0.00 0.00 23.12 19.39 3h21 s ALA 116 CO 0.00 -0.73 0.40 0.72 0.00 0.00 0.00 175.76 176.15 3h21 n HIS 117 N -0.05 0.00 -3.82 0.00 -0.00 0.14 -4.29 115.22 107.21 3h21 n HIS 117 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.64 3h21 n HIS 117 Cb 0.45 -0.45 -0.12 0.00 -0.00 0.00 0.00 29.99 29.87 3h21 n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h21 s ILE 118 N -3.28 -0.00 -0.05 1.59 1.01 -0.87 -4.18 121.20 115.43 3h21 s ILE 118 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 3h21 s ILE 118 Cb 0.12 -0.23 -0.05 0.00 0.01 0.00 0.00 42.46 42.31 3h21 s ILE 118 CO 0.78 0.00 0.30 -0.63 0.00 0.00 0.00 174.94 175.40 3h21 s ILE 119 N 0.10 5.22 -0.42 2.92 1.01 -0.26 -0.65 121.20 129.12 3h21 s ILE 119 Ca -0.00 0.59 0.04 0.00 0.00 0.00 0.00 60.65 61.28 3h21 s ILE 119 Cb -0.01 -3.59 0.11 0.00 0.01 0.00 0.00 42.46 38.98 3h21 s ILE 119 CO 0.00 0.59 0.15 0.21 0.00 0.00 0.00 174.94 175.89 3h21 s ASN 120 N -1.05 4.46 -0.42 3.58 2.47 0.20 -0.76 114.94 123.43 3h21 s ASN 120 Ca 0.20 -2.49 -0.11 0.00 0.42 0.00 0.00 52.86 50.88 3h21 s ASN 120 Cb -0.15 -1.54 0.06 0.00 -1.45 0.00 0.00 41.25 38.17 3h21 s ASN 120 CO 0.10 -0.32 0.28 -0.62 -3.72 0.00 0.00 177.10 172.82 3h21 s ASP 121 N 0.44 5.81 0.00 -4.21 3.68 -0.63 -2.16 116.67 119.60 3h21 s ASP 121 Ca 0.14 -1.30 0.12 0.00 2.13 0.00 0.00 52.55 53.63 3h21 s ASP 121 Cb -0.22 -2.05 0.67 0.00 -1.45 0.00 0.00 42.92 39.86 3h21 s ASP 121 CO -0.05 -0.52 1.21 2.30 0.13 0.00 0.00 175.17 178.23 3h21 n ILE 122 N 5.02 0.30 0.17 4.11 -5.35 -1.26 -1.42 119.36 120.93 3h21 n ILE 122 Ca -0.11 0.08 0.03 0.00 -0.27 0.00 0.00 62.75 62.47 3h21 n ILE 122 Cb 0.44 -0.89 0.03 0.00 -1.74 0.00 0.00 39.64 37.48 3h21 n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h21 n TRP 123 N -1.12 0.03 -3.87 4.28 7.02 -1.26 -4.50 117.44 118.01 3h21 n TRP 123 Ca 0.08 -0.07 -0.24 0.00 -1.02 0.00 0.00 57.50 56.25 3h21 n TRP 123 Cb 0.06 -0.01 -0.00 0.00 -2.42 0.00 0.00 31.31 28.95 3h21 n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h21 n GLY 124 N 0.24 -0.25 2.41 6.99 0.00 -0.51 -1.80 105.19 112.27 3h21 n GLY 124 Ca 0.03 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3h21 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h21 n ALA 125 N -4.36 -0.16 -0.06 4.61 0.00 -1.26 -4.61 120.51 114.67 3h21 n ALA 125 Ca -0.30 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 3h21 n ALA 125 Cb 0.68 -1.35 -0.16 0.00 0.00 0.00 0.00 19.45 18.62 3h21 n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h21 n LYS 126 N -2.26 0.75 -0.04 0.00 5.02 -0.75 -3.35 118.16 117.53 3h21 n LYS 126 Ca -0.10 -0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 55.97 3h21 n LYS 126 Cb 0.40 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 3h21 n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h21 h ALA 127 N 1.32 0.13 -2.51 7.82 0.00 -1.86 -3.40 119.26 120.75 3h21 h ALA 127 Ca -0.34 -0.37 -0.59 0.00 0.00 0.00 0.00 54.91 53.62 3h21 h ALA 127 Cb 1.75 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 19.14 3h21 h ALA 127 CO 0.02 0.07 -0.90 -1.21 0.00 0.00 0.00 179.25 177.23 3h21 s GLU 128 N -3.90 0.75 0.55 0.00 2.02 -1.25 -5.00 118.70 111.87 3h21 s GLU 128 Ca -0.15 -1.72 0.32 0.00 0.02 0.00 0.00 54.97 53.44 3h21 s GLU 128 Cb 0.03 -1.42 1.48 0.00 0.10 0.00 0.00 34.13 34.32 3h21 s GLU 128 CO 0.74 -1.29 1.86 -1.35 0.02 0.00 0.00 175.26 175.25 3h21 h PRO 129 N 6.39 0.00 -0.17 0.39 0.11 -1.78 0.12 132.00 137.06 3h21 h PRO 129 Ca 0.15 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.31 3h21 h PRO 129 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3h21 h PRO 129 CO 0.32 0.00 0.40 0.87 -0.21 0.00 0.00 178.00 179.39 3h21 h LYS 130 N 0.00 0.00 0.00 1.05 1.57 -1.95 -0.99 116.57 116.25 3h21 h LYS 130 Ca 0.40 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.15 3h21 h LYS 130 Cb 1.71 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.01 3h21 h LYS 130 CO -0.00 0.00 -0.17 0.97 -0.57 0.00 0.00 179.45 179.67 3h21 h ILE 131 N 0.00 0.60 -0.20 1.86 2.10 -1.09 -1.54 117.51 119.24 3h21 h ILE 131 Ca 0.08 -0.79 -0.18 0.00 1.08 0.00 0.00 64.86 65.06 3h21 h ILE 131 Cb 0.89 1.52 -0.00 0.00 -1.09 0.00 0.00 36.82 38.13 3h21 h ILE 131 CO -0.00 0.17 -0.59 0.00 -1.08 0.00 0.00 178.15 176.65 3h21 h ALA 132 N 1.83 0.59 -0.34 0.18 0.00 -1.38 -0.56 119.26 119.57 3h21 h ALA 132 Ca -0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 3h21 h ALA 132 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3h21 h ALA 132 CO 0.02 0.69 -0.02 0.93 0.00 0.00 0.00 179.25 180.88 3h21 h GLU 133 N 0.49 0.62 -0.52 0.00 5.08 -1.51 0.23 114.58 118.97 3h21 h GLU 133 Ca -0.00 -0.20 0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3h21 h GLU 133 Cb 1.16 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.26 3h21 h GLU 133 CO 0.12 0.75 -0.22 0.28 -1.00 0.00 0.00 179.01 178.94 3h21 h VAL 134 N 0.42 0.34 -0.05 3.13 2.07 -1.25 -0.77 116.25 120.13 3h21 h VAL 134 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3h21 h VAL 134 Cb 0.48 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3h21 h VAL 134 CO 0.02 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.64 3h21 h ALA 135 N 1.27 0.07 -0.60 1.67 0.00 -0.53 -2.27 119.26 118.87 3h21 h ALA 135 Ca 0.24 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3h21 h ALA 135 Cb 0.47 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3h21 h ALA 135 CO -0.58 -0.38 0.27 0.00 0.00 0.00 0.00 179.25 178.56 3h21 h ALA 136 N 0.91 0.79 -0.10 0.00 0.00 -0.36 -0.66 119.26 119.84 3h21 h ALA 136 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3h21 h ALA 136 Cb 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3h21 h ALA 136 CO -0.00 -0.11 0.01 1.25 0.00 0.00 0.00 179.25 180.40 3h21 h HIS 137 N 0.50 0.01 -0.00 0.00 6.17 -0.97 -3.00 115.15 117.85 3h21 h HIS 137 Ca 0.29 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.37 3h21 h HIS 137 Cb 0.28 0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.22 3h21 h HIS 137 CO -0.13 -0.00 -0.31 0.66 0.71 0.00 0.00 177.93 178.86 3h21 n TYR 138 N -5.10 0.00 -3.19 5.26 4.01 -0.87 -4.95 117.16 112.32 3h21 n TYR 138 Ca -0.05 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.53 3h21 n TYR 138 Cb 0.06 -0.21 0.05 0.00 -0.31 0.00 0.00 39.34 38.93 3h21 n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h21 n ASP 139 N -1.10 -5.01 -4.83 7.72 2.03 -0.27 -5.03 116.55 110.06 3h21 n ASP 139 Ca 0.09 -0.35 -0.29 0.00 0.52 0.00 0.00 54.79 54.76 3h21 n ASP 139 Cb 0.33 -3.64 -0.05 0.00 -0.72 0.00 0.00 41.12 37.04 3h21 n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3h21 s VAL 140 N -3.19 4.80 0.33 5.18 -7.23 -1.10 -4.92 120.40 114.27 3h21 s VAL 140 Ca 0.38 -0.74 -0.29 0.00 -1.81 0.00 0.00 61.98 59.52 3h21 s VAL 140 Cb -0.17 -3.37 -0.12 0.00 0.56 0.00 0.00 36.38 33.29 3h21 s VAL 140 CO 0.47 0.06 1.40 -2.65 -0.31 0.00 0.00 175.10 174.07 3h21 n PRO 141 N 0.14 2.34 -5.04 4.82 -0.02 -1.26 -4.80 135.00 131.19 3h21 n PRO 141 Ca -0.08 0.82 -0.29 0.00 -2.02 0.00 0.00 63.50 61.94 3h21 n PRO 141 Cb 0.52 -2.48 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 3h21 n PRO 141 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3h21 s ILE 142 N -0.82 1.74 -0.26 4.25 2.07 0.45 -1.10 121.20 127.53 3h21 s ILE 142 Ca 0.58 -0.88 -0.13 0.00 -1.41 0.00 0.00 60.65 58.80 3h21 s ILE 142 Cb -0.54 -1.48 -0.04 0.00 0.13 0.00 0.00 42.46 40.52 3h21 s ILE 142 CO 0.59 0.49 0.28 -0.63 -1.91 0.00 0.00 174.94 173.77 3h21 s ILE 143 N -0.01 5.25 -0.41 2.00 1.01 0.06 -1.68 121.20 127.42 3h21 s ILE 143 Ca -0.05 0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.88 3h21 s ILE 143 Cb -0.13 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 38.78 3h21 s ILE 143 CO 0.03 0.22 0.27 -0.76 0.00 0.00 0.00 174.94 174.71 3h21 s LEU 144 N 1.75 5.10 0.03 2.97 1.43 0.08 -1.61 118.68 128.42 3h21 s LEU 144 Ca 0.12 -1.30 -0.15 0.00 -1.03 0.00 0.00 54.13 51.77 3h21 s LEU 144 Cb -0.15 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 3h21 s LEU 144 CO 0.09 -0.51 0.44 -0.32 0.23 0.00 0.00 176.35 176.28 3h21 s MET 145 N 1.51 3.94 0.07 1.70 1.75 -1.08 -1.56 119.30 125.63 3h21 s MET 145 Ca 0.03 0.44 -0.31 0.00 -1.25 0.00 0.00 55.69 54.60 3h21 s MET 145 Cb -0.22 -3.18 -0.08 0.00 2.84 0.00 0.00 34.83 34.19 3h21 s MET 145 CO 0.05 0.66 1.60 -1.58 -0.65 0.00 0.00 175.02 175.09 3h21 s HIS 146 N -1.14 2.57 0.15 4.11 2.46 0.11 -3.47 115.29 120.08 3h21 s HIS 146 Ca 0.26 0.45 -0.16 0.00 0.47 0.00 0.00 55.06 56.08 3h21 s HIS 146 Cb -0.17 -3.90 0.03 0.00 -0.13 0.00 0.00 32.58 28.41 3h21 s HIS 146 CO 0.15 -3.55 0.43 1.21 -2.47 0.00 0.00 174.74 170.51 3h21 s ASN 147 N 2.17 -0.22 0.17 9.88 3.84 -1.26 -4.08 114.94 125.43 3h21 s ASN 147 Ca 0.72 -0.43 -0.24 0.00 0.21 0.00 0.00 52.86 53.12 3h21 s ASN 147 Cb -0.39 0.51 0.06 0.00 -0.55 0.00 0.00 41.25 40.88 3h21 s ASN 147 CO 0.31 -0.93 0.85 0.00 -2.79 0.00 0.00 177.10 174.54 3h21 s ARG 148 N -3.84 1.32 -0.01 0.43 1.70 -1.26 -5.03 118.95 112.25 3h21 s ARG 148 Ca 0.06 -0.68 0.09 0.00 -0.47 0.00 0.00 55.73 54.73 3h21 s ARG 148 Cb 0.01 0.48 0.29 0.00 -0.57 0.00 0.00 34.95 35.16 3h21 s ARG 148 CO -0.08 -0.60 1.21 -0.40 -1.08 0.00 0.00 175.30 174.36 3h21 n ASP 149 N -0.43 1.86 -3.74 -2.89 5.68 -1.26 -4.66 116.55 111.11 3h21 n ASP 149 Ca -0.07 -2.05 -0.08 0.00 -0.50 0.00 0.00 54.79 52.09 3h21 n ASP 149 Cb 0.61 -0.26 -0.02 0.00 -1.14 0.00 0.00 41.12 40.31 3h21 n ASP 149 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h21 s ASN 150 N -0.92 -0.11 -0.27 -1.12 2.20 -1.26 -5.08 114.94 108.38 3h21 s ASN 150 Ca 0.22 -0.83 0.10 0.00 -0.94 0.00 0.00 52.86 51.40 3h21 s ASN 150 Cb 0.12 0.70 0.46 0.00 -2.00 0.00 0.00 41.25 40.53 3h21 s ASN 150 CO 0.14 -1.33 1.19 0.23 -2.94 0.00 0.00 177.10 174.38 3h21 n MET 151 N -0.45 3.06 -2.97 3.55 2.81 -1.26 -4.86 117.12 116.99 3h21 n MET 151 Ca -0.04 -3.93 -0.44 0.00 -1.81 0.00 0.00 57.70 51.48 3h21 n MET 151 Cb 0.60 -2.07 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 3h21 n MET 151 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3h21 s ASN 152 N -3.54 6.75 -0.15 7.83 -0.87 -1.26 -5.01 114.94 118.69 3h21 s ASN 152 Ca 0.46 -2.33 -0.16 0.00 -1.57 0.00 0.00 52.86 49.26 3h21 s ASN 152 Cb 0.39 -2.38 -0.04 0.00 -0.02 0.00 0.00 41.25 39.20 3h21 s ASN 152 CO 0.01 -0.94 0.39 -0.31 -2.57 0.00 0.00 177.10 173.68 3h21 s TYR 153 N 2.16 3.46 0.11 2.20 1.51 -1.26 -4.94 117.35 120.59 3h21 s TYR 153 Ca 0.34 0.72 -0.16 0.00 -1.01 0.00 0.00 57.07 56.96 3h21 s TYR 153 Cb -0.05 -2.47 -0.06 0.00 -0.11 0.00 0.00 41.96 39.28 3h21 s TYR 153 CO -0.07 0.16 1.50 -0.09 -1.11 0.00 0.00 175.55 175.94 3h21 h ARG 154 N 6.84 0.64 -0.96 -0.62 2.43 -2.02 -3.43 114.38 117.26 3h21 h ARG 154 Ca -0.40 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 58.55 3h21 h ARG 154 Cb 1.17 -0.04 -0.21 0.00 -0.42 0.00 0.00 29.97 30.48 3h21 h ARG 154 CO 0.75 0.82 -0.37 1.21 -1.51 0.00 0.00 179.97 180.87 3h21 s ASN 155 N -6.25 -1.56 0.09 -3.80 3.04 -1.26 -5.09 114.94 100.11 3h21 s ASN 155 Ca -0.13 0.09 -0.18 0.00 0.04 0.00 0.00 52.86 52.69 3h21 s ASN 155 Cb 0.09 1.99 -0.04 0.00 -1.54 0.00 0.00 41.25 41.75 3h21 s ASN 155 CO 0.79 -0.28 1.07 -0.11 -3.04 0.00 0.00 177.10 175.54 3h21 n LEU 156 N 5.31 -0.61 -0.18 3.21 7.94 -1.26 -0.50 117.00 130.89 3h21 n LEU 156 Ca 0.06 1.21 -0.07 0.00 -1.11 0.00 0.00 56.01 56.10 3h21 n LEU 156 Cb 0.54 -0.22 0.02 0.00 0.53 0.00 0.00 43.42 44.30 3h21 n LEU 156 CO -0.06 -0.93 1.09 0.24 -1.11 0.00 0.00 177.39 176.62 3h21 h MET 157 N 0.00 0.71 -0.49 1.96 2.86 -1.98 0.19 114.93 118.17 3h21 h MET 157 Ca 0.09 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3h21 h MET 157 Cb 0.24 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3h21 h MET 157 CO -0.54 0.48 -0.00 0.00 1.06 0.00 0.00 176.91 177.91 3h21 h ALA 158 N 1.18 0.66 -0.38 6.32 0.00 -1.79 -1.89 119.26 123.36 3h21 h ALA 158 Ca 0.19 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3h21 h ALA 158 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3h21 h ALA 158 CO -0.04 0.47 0.06 -0.44 0.00 0.00 0.00 179.25 179.31 3h21 h ASP 159 N 0.73 0.61 -0.71 0.00 3.32 -0.47 -0.38 116.42 119.52 3h21 h ASP 159 Ca 0.14 -0.26 0.06 0.00 0.02 0.00 0.00 57.03 56.99 3h21 h ASP 159 Cb 0.52 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 3h21 h ASP 159 CO 0.03 0.71 0.41 0.24 -1.72 0.00 0.00 179.24 178.91 3h21 h MET 160 N 0.48 0.73 -0.40 3.56 2.86 -0.46 0.31 114.93 122.00 3h21 h MET 160 Ca 0.12 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3h21 h MET 160 Cb 0.36 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3h21 h MET 160 CO 0.01 0.48 0.01 0.82 1.06 0.00 0.00 176.91 179.29 3h21 h ILE 161 N 0.75 1.26 0.16 -1.22 2.04 -1.22 0.26 117.51 119.53 3h21 h ILE 161 Ca 0.32 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.21 3h21 h ILE 161 Cb 0.19 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3h21 h ILE 161 CO -0.18 0.33 -0.39 0.00 0.00 0.00 0.00 178.15 177.92 3h21 h ALA 162 N 0.89 -0.70 -0.44 1.87 0.00 -0.54 -0.28 119.26 120.06 3h21 h ALA 162 Ca 0.11 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3h21 h ALA 162 Cb 0.46 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3h21 h ALA 162 CO 0.02 -0.95 0.13 -0.44 0.00 0.00 0.00 179.25 178.01 3h21 h ASP 163 N -0.64 0.11 -0.80 0.00 3.32 -0.09 0.12 116.42 118.43 3h21 h ASP 163 Ca 0.02 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3h21 h ASP 163 Cb 0.66 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 3h21 h ASP 163 CO -0.20 0.09 0.41 -0.07 -1.72 0.00 0.00 179.24 177.75 3h21 h LEU 164 N 0.29 1.03 -0.70 1.55 3.38 -0.43 -2.13 115.31 118.30 3h21 h LEU 164 Ca 0.21 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3h21 h LEU 164 Cb 0.23 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3h21 h LEU 164 CO -0.24 0.85 0.27 0.22 0.09 0.00 0.00 178.44 179.63 3h21 h TYR 165 N 1.12 1.07 -0.42 1.13 3.20 0.55 0.58 116.97 124.21 3h21 h TYR 165 Ca 0.28 -0.09 0.12 0.00 3.14 0.00 0.00 58.73 62.18 3h21 h TYR 165 Cb 0.08 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 3h21 h TYR 165 CO 0.01 0.84 0.38 -0.44 -1.64 0.00 0.00 178.16 177.30 3h21 h ASP 166 N 1.00 0.00 0.25 -2.11 3.32 -0.18 -0.70 116.42 118.00 3h21 h ASP 166 Ca 0.23 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.95 3h21 h ASP 166 Cb 0.23 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.81 3h21 h ASP 166 CO -0.02 0.00 -1.46 0.28 -1.72 0.00 0.00 179.24 176.33 3h21 h SER 167 N 0.00 0.85 -0.98 6.45 0.02 -0.54 -2.92 113.55 116.43 3h21 h SER 167 Ca 0.20 -0.90 0.05 0.00 -0.84 0.00 0.00 61.79 60.30 3h21 h SER 167 Cb 0.95 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 63.15 3h21 h SER 167 CO -0.00 1.70 0.63 0.40 -1.14 0.00 0.00 176.83 178.42 3h21 h ILE 168 N 0.16 1.13 0.17 3.27 2.04 -0.43 -0.83 117.51 123.02 3h21 h ILE 168 Ca -0.25 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3h21 h ILE 168 Cb 2.15 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3h21 h ILE 168 CO 0.27 0.22 -0.12 0.50 0.00 0.00 0.00 178.15 179.02 3h21 h LYS 169 N 1.19 -0.28 -0.91 2.37 1.63 -1.17 0.16 116.57 119.56 3h21 h LYS 169 Ca 0.40 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.29 3h21 h LYS 169 Cb 0.08 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 3h21 h LYS 169 CO -0.15 -0.19 0.59 0.82 -3.45 0.00 0.00 179.45 177.08 3h21 h ILE 170 N -0.29 1.06 -0.11 2.00 2.04 -1.28 -0.25 117.51 120.68 3h21 h ILE 170 Ca -0.01 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 3h21 h ILE 170 Cb 0.26 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3h21 h ILE 170 CO 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 178.15 178.22 3h21 h ALA 171 N 1.51 0.16 -0.27 1.87 0.00 -0.75 -2.77 119.26 119.01 3h21 h ALA 171 Ca 0.39 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3h21 h ALA 171 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3h21 h ALA 171 CO -0.15 0.02 -0.45 0.87 0.00 0.00 0.00 179.25 179.54 3h21 h LYS 172 N -0.14 0.69 0.00 0.00 1.57 -0.36 -1.19 116.57 117.15 3h21 h LYS 172 Ca 0.02 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 3h21 h LYS 172 Cb 0.65 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 3h21 h LYS 172 CO 0.03 1.00 -0.06 -0.44 -0.57 0.00 0.00 179.45 179.41 3h21 h ASP 173 N 0.55 0.00 -0.16 0.86 3.45 -1.12 -0.97 116.42 119.04 3h21 h ASP 173 Ca 0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3h21 h ASP 173 Cb 1.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.77 3h21 h ASP 173 CO 0.09 0.06 0.00 0.00 -1.57 0.00 0.00 179.24 177.82 3h21 n ALA 174 N -2.20 2.48 0.00 3.45 0.00 -0.95 -4.95 120.51 118.34 3h21 n ALA 174 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3h21 n ALA 174 Cb 0.19 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3h21 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h21 n GLY 175 N 1.34 0.98 3.70 0.00 0.00 -0.37 -4.55 105.19 106.30 3h21 n GLY 175 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3h21 n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h21 s VAL 176 N -2.00 3.43 0.42 1.61 1.01 -0.49 -4.80 120.40 119.58 3h21 s VAL 176 Ca 0.00 0.93 -0.22 0.00 0.00 0.00 0.00 61.98 62.69 3h21 s VAL 176 Cb 0.00 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 3h21 s VAL 176 CO 0.00 0.03 0.99 -0.13 0.00 0.00 0.00 175.10 175.99 3h21 s ARG 177 N 1.89 4.16 0.38 2.72 0.52 -1.26 -4.39 118.95 122.96 3h21 s ARG 177 Ca 0.66 1.29 0.14 0.00 -0.52 0.00 0.00 55.73 57.29 3h21 s ARG 177 Cb -0.35 -2.32 0.96 0.00 0.52 0.00 0.00 34.95 33.76 3h21 s ARG 177 CO 0.29 -0.11 1.83 -0.44 0.02 0.00 0.00 175.30 176.89 3h21 h ASP 178 N 2.12 0.54 0.54 0.23 3.32 -1.97 0.23 116.42 121.44 3h21 h ASP 178 Ca -0.49 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3h21 h ASP 178 Cb 1.20 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3h21 h ASP 178 CO 0.61 0.21 0.00 -0.62 -1.72 0.00 0.00 179.24 177.73 3h21 n GLU 179 N -4.59 0.07 -0.68 3.56 1.02 -1.26 -1.68 120.64 117.08 3h21 n GLU 179 Ca 0.20 0.33 0.08 0.00 -0.02 0.00 0.00 57.16 57.75 3h21 n GLU 179 Cb 0.65 -1.63 0.34 0.00 -0.02 0.00 0.00 31.44 30.77 3h21 n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h21 n ASN 180 N -1.76 4.84 -4.61 1.62 5.03 0.82 -4.85 115.26 116.35 3h21 n ASN 180 Ca 0.03 -2.99 -0.34 0.00 0.87 0.00 0.00 54.58 52.15 3h21 n ASN 180 Cb 0.18 -0.62 -0.10 0.00 -1.02 0.00 0.00 39.78 38.22 3h21 n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h21 s ILE 181 N -2.81 4.65 -0.02 2.41 1.01 -0.68 -0.41 121.20 125.37 3h21 s ILE 181 Ca 0.49 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 61.10 3h21 s ILE 181 Cb 0.38 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 3h21 s ILE 181 CO 0.12 0.46 -0.13 -0.63 0.00 0.00 0.00 174.94 174.76 3h21 s ILE 182 N 0.44 1.04 0.30 2.92 1.01 -0.68 -4.29 121.20 121.94 3h21 s ILE 182 Ca 0.02 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.21 3h21 s ILE 182 Cb -0.13 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3h21 s ILE 182 CO 0.01 0.30 0.05 -0.76 0.00 0.00 0.00 174.94 174.54 3h21 s LEU 183 N -0.21 3.22 -0.11 2.97 1.43 0.40 -0.75 118.68 125.64 3h21 s LEU 183 Ca 0.03 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.37 3h21 s LEU 183 Cb -0.06 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.49 3h21 s LEU 183 CO -0.00 -0.12 0.25 -0.62 0.23 0.00 0.00 176.35 176.09 3h21 s ASP 184 N -3.74 -0.27 0.28 2.29 3.68 -0.60 -0.76 116.67 117.55 3h21 s ASP 184 Ca 0.34 0.54 0.18 0.00 2.13 0.00 0.00 52.55 55.74 3h21 s ASP 184 Cb -0.05 0.43 1.00 0.00 -1.45 0.00 0.00 42.92 42.85 3h21 s ASP 184 CO 0.21 -0.16 1.56 -0.81 0.13 0.00 0.00 175.17 176.09 3h21 n PRO 185 N 4.20 0.12 -3.51 4.34 -0.04 -1.26 0.05 135.00 138.90 3h21 n PRO 185 Ca -0.25 0.62 -0.20 0.00 -0.04 0.00 0.00 63.50 63.62 3h21 n PRO 185 Cb 0.53 -1.91 0.06 0.00 -0.04 0.00 0.00 33.50 32.14 3h21 n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h21 n GLY 186 N -1.32 -0.69 3.71 0.55 0.00 -1.26 -4.42 105.19 101.77 3h21 n GLY 186 Ca -0.01 0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 3h21 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h21 s ILE 187 N -3.49 2.45 0.00 -0.61 -1.09 -1.26 -2.08 121.20 115.12 3h21 s ILE 187 Ca 0.22 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 3h21 s ILE 187 Cb -0.05 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 3h21 s ILE 187 CO 0.78 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 175.12 3h21 n GLY 188 N 3.88 0.30 3.36 6.18 0.00 -1.26 -4.87 105.19 112.78 3h21 n GLY 188 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3h21 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h21 s PHE 189 N -2.08 2.85 -1.45 1.61 0.40 -0.88 -4.64 117.98 113.79 3h21 s PHE 189 Ca 0.00 -0.71 -0.00 0.00 -0.60 0.00 0.00 56.93 55.62 3h21 s PHE 189 Cb 0.00 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.63 3h21 s PHE 189 CO 0.00 -0.28 0.04 0.00 0.70 0.00 0.00 175.22 175.68 3h21 n ALA 190 N 3.79 -0.71 -2.95 5.36 0.00 -1.26 -4.82 120.51 119.91 3h21 n ALA 190 Ca -0.18 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 3h21 n ALA 190 Cb 0.52 -1.98 -0.14 0.00 0.00 0.00 0.00 19.45 17.85 3h21 n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h21 s LYS 191 N -5.09 0.04 0.90 0.00 1.02 -1.26 -4.64 119.74 110.70 3h21 s LYS 191 Ca 0.02 0.06 -0.12 0.00 0.02 0.00 0.00 55.97 55.96 3h21 s LYS 191 Cb -0.01 0.01 0.13 0.00 -0.52 0.00 0.00 37.83 37.44 3h21 s LYS 191 CO 0.03 -0.01 1.09 0.95 -0.92 0.00 0.00 175.35 176.49 3h21 s THR 192 N 0.07 2.62 0.42 2.17 -4.23 -1.26 -4.76 115.64 110.66 3h21 s THR 192 Ca -0.00 0.20 0.08 0.00 -1.18 0.00 0.00 61.69 60.79 3h21 s THR 192 Cb -0.01 -2.73 0.25 0.00 1.34 0.00 0.00 72.50 71.35 3h21 s THR 192 CO -0.00 -0.26 2.05 -0.65 -0.54 0.00 0.00 174.62 175.22 3h21 h PRO 193 N -1.53 0.46 0.03 3.99 0.11 -1.99 -1.40 132.00 131.68 3h21 h PRO 193 Ca -0.50 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.35 3h21 h PRO 193 Cb 1.29 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3h21 h PRO 193 CO 0.56 0.33 -1.00 0.93 -0.21 0.00 0.00 178.00 178.61 3h21 h GLU 194 N 0.47 0.32 -0.61 1.05 3.07 -1.99 -2.88 114.58 114.01 3h21 h GLU 194 Ca 0.12 -0.39 0.01 0.00 -0.50 0.00 0.00 59.36 58.61 3h21 h GLU 194 Cb -0.00 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 3h21 h GLU 194 CO -0.02 1.10 0.40 1.96 -1.40 0.00 0.00 179.01 181.04 3h21 h GLN 195 N 0.16 0.78 -0.96 2.33 4.20 -1.80 -1.90 115.11 117.92 3h21 h GLN 195 Ca -0.08 -0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.72 3h21 h GLN 195 Cb 1.66 -0.18 -0.09 0.00 0.30 0.00 0.00 27.48 29.18 3h21 h GLN 195 CO 0.17 0.52 0.58 -0.91 -0.67 0.00 0.00 178.83 178.52 3h21 h ASN 196 N 0.81 0.82 0.39 1.46 2.35 -1.20 0.31 115.58 120.51 3h21 h ASN 196 Ca 0.23 0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.94 3h21 h ASN 196 Cb -0.07 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3h21 h ASN 196 CO -0.06 0.40 -0.47 -0.07 -1.65 0.00 0.00 177.43 175.57 3h21 h LEU 197 N 0.87 0.11 0.07 1.61 3.38 -1.29 -1.42 115.31 118.65 3h21 h LEU 197 Ca 0.50 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 58.13 3h21 h LEU 197 Cb 0.59 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.33 3h21 h LEU 197 CO -0.30 0.57 -1.20 -0.08 0.09 0.00 0.00 178.44 177.52 3h21 h GLU 198 N 0.08 0.55 -0.53 1.13 4.81 -0.79 -1.02 114.58 118.82 3h21 h GLU 198 Ca 0.00 -0.73 -0.04 0.00 -0.13 0.00 0.00 59.36 58.45 3h21 h GLU 198 Cb 0.87 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 3h21 h GLU 198 CO 0.07 1.32 0.16 0.00 -0.73 0.00 0.00 179.01 179.83 3h21 h ALA 199 N 0.39 0.70 -0.30 2.92 0.00 -0.89 -1.94 119.26 120.14 3h21 h ALA 199 Ca -0.17 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3h21 h ALA 199 Cb 1.87 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 3h21 h ALA 199 CO 0.22 0.37 0.10 0.52 0.00 0.00 0.00 179.25 180.46 3h21 h MET 200 N 0.74 0.23 -0.39 0.00 2.86 -1.22 0.16 114.93 117.31 3h21 h MET 200 Ca 0.17 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.90 3h21 h MET 200 Cb 0.29 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3h21 h MET 200 CO -0.00 0.15 0.28 -0.09 1.06 0.00 0.00 176.91 178.30 3h21 h ARG 201 N 0.23 0.05 -0.03 1.72 2.43 -0.90 -3.13 114.38 114.75 3h21 h ARG 201 Ca 0.13 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3h21 h ARG 201 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3h21 h ARG 201 CO -0.14 0.03 0.00 0.09 -1.51 0.00 0.00 179.97 178.44 3h21 n ASN 202 N -4.43 2.23 -0.34 -3.80 3.02 -0.75 -4.80 115.26 106.39 3h21 n ASN 202 Ca 0.06 -2.42 0.22 0.00 -0.03 0.00 0.00 54.58 52.42 3h21 n ASN 202 Cb 0.44 -0.18 0.47 0.00 -0.61 0.00 0.00 39.78 39.90 3h21 n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h21 h LEU 203 N 0.16 0.52 -1.72 3.41 3.38 -0.64 -1.94 115.31 118.48 3h21 h LEU 203 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3h21 h LEU 203 Cb 0.72 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3h21 h LEU 203 CO 0.01 0.04 0.14 1.05 0.09 0.00 0.00 178.44 179.76 3h21 h GLU 204 N 0.42 0.00 0.00 1.13 9.09 -1.87 -1.16 114.58 122.19 3h21 h GLU 204 Ca 0.65 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.06 3h21 h GLU 204 Cb 1.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.63 3h21 h GLU 204 CO -0.41 0.00 0.00 1.96 0.05 0.00 0.00 179.01 180.61 3h21 h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.69 -2.36 115.11 116.32 3h21 h GLN 205 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h21 h GLN 205 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3h21 h GLN 205 CO 0.00 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 178.09 3h21 h LEU 206 N 0.00 0.00 -1.77 1.46 3.38 -1.42 -2.84 115.31 114.11 3h21 h LEU 206 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3h21 h LEU 206 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3h21 h LEU 206 CO 0.00 0.00 -0.15 0.78 0.09 0.00 0.00 178.44 179.16 3h21 h ASN 207 N 0.00 0.00 0.57 -0.43 2.35 -1.60 -2.56 115.58 113.90 3h21 h ASN 207 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3h21 h ASN 207 Cb 0.52 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 3h21 h ASN 207 CO 0.00 0.15 -0.08 -0.37 -1.65 0.00 0.00 177.43 175.48 3h21 h VAL 208 N 0.00 0.30 0.00 2.81 -1.51 -1.69 -1.25 116.25 114.90 3h21 h VAL 208 Ca -0.00 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 3h21 h VAL 208 Cb 0.40 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3h21 h VAL 208 CO 0.02 0.08 0.00 -0.07 -1.23 0.00 0.00 177.57 176.37 3h21 h LEU 209 N 0.00 0.00 0.00 4.19 3.38 -1.67 -3.47 115.31 117.74 3h21 h LEU 209 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h21 h LEU 209 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3h21 h LEU 209 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3h21 n GLY 210 N -0.25 0.77 3.57 0.83 0.00 -0.47 -5.07 105.19 104.57 3h21 n GLY 210 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3h21 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h21 s TYR 211 N -2.26 2.59 0.56 1.61 1.51 -1.26 -5.11 117.35 115.00 3h21 s TYR 211 Ca 0.00 -0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 55.61 3h21 s TYR 211 Cb 0.00 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 3h21 s TYR 211 CO 0.00 0.55 1.29 -2.14 -1.11 0.00 0.00 175.55 174.14 3h21 s PRO 212 N -3.05 3.10 -0.05 -1.71 0.02 -1.26 -4.83 135.00 127.23 3h21 s PRO 212 Ca 0.26 2.07 0.06 0.00 0.02 0.00 0.00 61.00 63.41 3h21 s PRO 212 Cb -0.08 -2.15 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 3h21 s PRO 212 CO 0.16 -1.17 -0.25 0.08 -0.33 0.00 0.00 177.00 175.50 3h21 s VAL 213 N -1.40 2.00 -0.11 3.83 1.01 -1.26 -0.45 120.40 124.01 3h21 s VAL 213 Ca 0.73 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3h21 s VAL 213 Cb -0.36 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3h21 s VAL 213 CO 0.42 0.56 -0.07 -0.22 0.00 0.00 0.00 175.10 175.78 3h21 s LEU 214 N -0.22 3.09 -0.18 3.92 0.20 0.06 -0.77 118.68 124.79 3h21 s LEU 214 Ca -0.02 -0.13 -0.04 0.00 0.69 0.00 0.00 54.13 54.63 3h21 s LEU 214 Cb -0.13 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 3h21 s LEU 214 CO 0.03 0.25 -0.02 -0.22 -0.29 0.00 0.00 176.35 176.10 3h21 s LEU 215 N -0.14 3.28 -0.34 -0.68 2.96 -0.33 -4.22 118.68 119.20 3h21 s LEU 215 Ca 0.01 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3h21 s LEU 215 Cb -0.13 -1.81 0.10 0.00 0.50 0.00 0.00 46.19 44.85 3h21 s LEU 215 CO 0.03 0.12 0.05 -0.83 -1.32 0.00 0.00 176.35 174.41 3h21 s GLY 216 N 0.64 1.93 0.00 7.98 0.00 -1.26 -0.98 107.32 115.63 3h21 s GLY 216 Ca -0.01 -2.51 0.00 0.00 0.00 0.00 0.00 44.72 42.20 3h21 s GLY 216 CO 0.02 0.93 0.20 -1.30 0.00 0.00 0.00 173.10 172.95 3h21 n THR 217 N 4.28 0.00 -1.64 0.90 -2.24 -1.26 -4.32 114.28 110.00 3h21 n THR 217 Ca 0.03 -0.31 -0.51 0.00 -2.27 0.00 0.00 64.05 60.98 3h21 n THR 217 Cb 0.42 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 69.83 3h21 n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h21 n SER 218 N -0.23 2.91 0.00 3.42 2.88 -1.26 -2.07 113.62 119.28 3h21 n SER 218 Ca 0.00 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 3h21 n SER 218 Cb 0.06 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 3h21 n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h21 n ARG 219 N 6.77 -1.04 -1.11 -1.46 1.74 -1.26 -4.92 116.66 115.38 3h21 n ARG 219 Ca 0.28 0.26 -0.33 0.00 -0.77 0.00 0.00 57.85 57.28 3h21 n ARG 219 Cb 0.25 -4.29 0.13 0.00 -1.02 0.00 0.00 32.46 27.53 3h21 n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h21 s LYS 220 N -1.23 1.62 0.42 5.56 1.02 -0.88 -4.85 119.74 121.39 3h21 s LYS 220 Ca 0.00 1.78 0.10 0.00 0.02 0.00 0.00 55.97 57.87 3h21 s LYS 220 Cb 0.00 -1.77 0.92 0.00 -0.52 0.00 0.00 37.83 36.46 3h21 s LYS 220 CO 0.00 -2.23 2.01 1.03 -0.92 0.00 0.00 175.35 175.24 3h21 h SER 221 N -0.89 0.45 0.46 2.83 0.87 -1.92 -2.46 113.55 112.89 3h21 h SER 221 Ca -0.46 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.07 3h21 h SER 221 Cb 1.30 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3h21 h SER 221 CO 0.46 0.30 -0.12 2.19 -0.53 0.00 0.00 176.83 179.13 3h21 h PHE 222 N 0.51 0.00 -0.29 2.24 -5.15 -1.94 0.12 116.94 112.44 3h21 h PHE 222 Ca 0.23 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.88 3h21 h PHE 222 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.42 3h21 h PHE 222 CO -0.00 0.12 -0.28 0.82 -2.00 0.00 0.00 178.31 176.97 3h21 h ILE 223 N 0.00 1.30 -0.97 0.88 2.04 -1.80 -2.22 117.51 116.74 3h21 h ILE 223 Ca -0.00 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.42 3h21 h ILE 223 Cb 0.38 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 3h21 h ILE 223 CO 0.01 0.46 0.62 1.23 0.00 0.00 0.00 178.15 180.47 3h21 h GLY 224 N 0.44 1.39 1.68 5.37 0.00 -1.28 -0.17 103.07 110.50 3h21 h GLY 224 Ca 0.05 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 3h21 h GLY 224 CO 0.07 0.54 -0.20 0.84 0.00 0.00 0.00 176.54 177.79 3h21 h HIS 225 N 1.33 0.41 0.00 5.60 -0.00 -0.63 0.46 115.15 122.32 3h21 h HIS 225 Ca 0.35 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.37 60.60 3h21 h HIS 225 Cb -0.11 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 3h21 h HIS 225 CO 0.00 0.56 -0.28 0.28 -0.00 0.00 0.00 177.93 178.49 3h21 h VAL 226 N 0.35 1.42 0.00 5.26 2.07 -1.07 -3.37 116.25 120.92 3h21 h VAL 226 Ca 0.06 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.41 3h21 h VAL 226 Cb 0.55 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 3h21 h VAL 226 CO 0.04 0.48 -0.32 -0.07 0.02 0.00 0.00 177.57 177.72 3h21 h LEU 227 N -1.00 0.00 -2.79 2.57 3.38 -1.00 -3.48 115.31 113.00 3h21 h LEU 227 Ca -0.07 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.63 3h21 h LEU 227 Cb 0.97 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.81 3h21 h LEU 227 CO -0.04 0.00 -0.66 -0.67 0.09 0.00 0.00 178.44 177.16 3h21 n ASP 228 N -2.88 -6.43 -3.83 -0.43 2.03 0.16 -5.05 116.55 100.13 3h21 n ASP 228 Ca 0.03 -0.64 -0.12 0.00 0.52 0.00 0.00 54.79 54.57 3h21 n ASP 228 Cb 0.53 -4.35 -0.13 0.00 -0.72 0.00 0.00 41.12 36.44 3h21 n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h21 s LEU 229 N -5.27 1.56 0.89 -2.67 1.43 -1.20 -5.08 118.68 108.34 3h21 s LEU 229 Ca 0.29 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 3h21 s LEU 229 Cb -0.07 0.32 0.13 0.00 0.03 0.00 0.00 46.19 46.60 3h21 s LEU 229 CO 0.79 -0.04 1.12 -2.16 0.23 0.00 0.00 176.35 176.29 3h21 s PRO 230 N 0.15 1.31 0.47 1.29 0.04 -1.26 -4.40 135.00 132.60 3h21 s PRO 230 Ca -0.01 0.41 0.30 0.00 0.04 0.00 0.00 61.00 61.74 3h21 s PRO 230 Cb -0.02 -1.85 1.38 0.00 0.04 0.00 0.00 34.50 34.05 3h21 s PRO 230 CO -0.00 -2.10 1.73 -0.24 0.04 0.00 0.00 177.00 176.43 3h21 h VAL 231 N -1.43 0.35 -0.25 -0.36 3.04 -1.98 0.20 116.25 115.82 3h21 h VAL 231 Ca -0.50 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 3h21 h VAL 231 Cb 1.32 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 3h21 h VAL 231 CO 0.61 0.03 0.00 -1.84 -1.01 0.00 0.00 177.57 175.36 3h21 n GLU 232 N -4.43 2.43 -0.80 4.17 0.00 -1.26 -3.68 120.64 117.07 3h21 n GLU 232 Ca 0.30 -2.15 0.00 0.00 0.00 0.00 0.00 57.16 55.31 3h21 n GLU 232 Cb 1.22 -1.49 0.29 0.00 0.00 0.00 0.00 31.44 31.45 3h21 n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h21 n GLU 233 N 1.44 3.32 -0.63 3.44 -0.58 0.70 -4.73 120.64 123.59 3h21 n GLU 233 Ca 0.17 -3.04 0.03 0.00 -0.42 0.00 0.00 57.16 53.91 3h21 n GLU 233 Cb 0.60 -2.05 0.26 0.00 -0.57 0.00 0.00 31.44 29.68 3h21 n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h21 n ARG 234 N -0.34 2.83 -0.07 3.49 1.74 -1.24 -4.67 116.66 118.40 3h21 n ARG 234 Ca 0.32 -2.97 -0.08 0.00 -0.77 0.00 0.00 57.85 54.36 3h21 n ARG 234 Cb 1.17 -1.91 0.09 0.00 -1.02 0.00 0.00 32.46 30.79 3h21 n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h21 h LEU 235 N 1.78 0.75 -0.28 0.55 6.46 -1.88 -1.05 115.31 121.65 3h21 h LEU 235 Ca 0.10 -0.28 -0.21 0.00 -0.12 0.00 0.00 57.88 57.37 3h21 h LEU 235 Cb 1.65 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 3h21 h LEU 235 CO 0.35 0.98 -0.81 -0.33 -0.62 0.00 0.00 178.44 178.01 3h21 h GLU 236 N 0.64 0.49 0.03 1.25 3.07 -1.99 -1.41 114.58 116.66 3h21 h GLU 236 Ca 0.08 -0.44 -0.21 0.00 -0.50 0.00 0.00 59.36 58.29 3h21 h GLU 236 Cb 0.77 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 3h21 h GLU 236 CO 0.06 1.08 -0.97 0.78 -1.40 0.00 0.00 179.01 178.56 3h21 h GLY 237 N 1.09 0.17 1.00 -3.84 0.00 -1.88 -2.35 103.07 97.26 3h21 h GLY 237 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3h21 h GLY 237 CO 0.15 0.30 0.30 -0.84 0.00 0.00 0.00 176.54 176.44 3h21 h THR 238 N 0.07 1.12 -0.82 4.70 2.02 -1.19 -2.64 112.91 116.16 3h21 h THR 238 Ca -0.05 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 66.98 3h21 h THR 238 Cb 1.64 0.46 -0.06 0.00 -1.74 0.00 0.00 68.15 68.45 3h21 h THR 238 CO 0.14 0.12 0.49 1.23 0.37 0.00 0.00 175.52 177.87 3h21 h GLY 239 N 0.61 1.24 0.91 2.16 0.00 -1.11 -1.28 103.07 105.60 3h21 h GLY 239 Ca 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3h21 h GLY 239 CO -0.04 0.21 0.10 0.00 0.00 0.00 0.00 176.54 176.81 3h21 h ALA 240 N 1.41 0.31 -0.30 3.60 0.00 -1.32 -1.48 119.26 121.48 3h21 h ALA 240 Ca 0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3h21 h ALA 240 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3h21 h ALA 240 CO -0.20 -0.10 0.06 1.79 0.00 0.00 0.00 179.25 180.80 3h21 h THR 241 N 0.24 1.15 -0.29 0.00 1.35 -1.00 -1.31 112.91 113.05 3h21 h THR 241 Ca 0.08 -0.55 -0.13 0.00 -0.55 0.00 0.00 66.41 65.27 3h21 h THR 241 Cb 0.17 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.44 3h21 h THR 241 CO -0.01 0.19 -0.31 0.58 -0.25 0.00 0.00 175.52 175.73 3h21 h VAL 242 N 0.43 1.30 -0.29 6.82 2.07 -1.05 -1.08 116.25 124.45 3h21 h VAL 242 Ca 0.10 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 3h21 h VAL 242 Cb 0.19 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3h21 h VAL 242 CO -0.00 0.48 -0.01 0.00 0.02 0.00 0.00 177.57 178.06 3h21 h LEU 244 N 0.31 1.00 -0.65 0.00 5.85 -1.25 0.35 115.31 120.91 3h21 h LEU 244 Ca 0.08 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3h21 h LEU 244 Cb 0.45 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3h21 h LEU 244 CO 0.02 0.83 0.13 1.23 -0.34 0.00 0.00 178.44 180.30 3h21 h GLY 245 N 1.09 1.14 0.93 3.75 0.00 -1.04 -2.05 103.07 106.90 3h21 h GLY 245 Ca 0.27 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 3h21 h GLY 245 CO -0.04 0.69 -0.21 -2.22 0.00 0.00 0.00 176.54 174.76 3h21 h ILE 246 N 0.98 1.30 -0.28 2.60 2.04 -0.89 -1.82 117.51 121.44 3h21 h ILE 246 Ca 0.20 -1.34 0.05 0.00 1.00 0.00 0.00 64.86 64.77 3h21 h ILE 246 Cb 0.40 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 3h21 h ILE 246 CO 0.01 0.43 0.19 -0.08 0.00 0.00 0.00 178.15 178.70 3h21 h GLU 247 N 0.39 0.16 -0.49 2.37 4.22 -0.72 -1.06 114.58 119.44 3h21 h GLU 247 Ca 0.06 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.49 3h21 h GLU 247 Cb 0.75 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3h21 h GLU 247 CO 0.06 0.11 0.00 1.63 -2.18 0.00 0.00 179.01 178.62 3h21 n LYS 248 N -4.48 2.22 -0.27 1.92 5.02 -0.79 -4.92 118.16 116.86 3h21 n LYS 248 Ca 0.03 -1.54 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 3h21 n LYS 248 Cb 0.24 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3h21 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h21 n GLY 249 N 0.98 0.84 3.77 0.72 0.00 -0.40 -4.13 105.19 106.98 3h21 n GLY 249 Ca 0.14 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3h21 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h21 n GLU 251 N -0.23 0.66 -4.17 0.00 4.71 0.05 -4.72 120.64 116.93 3h21 n GLU 251 Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 57.05 3h21 n GLU 251 Cb 0.47 -1.60 -0.13 0.00 -1.01 0.00 0.00 31.44 29.18 3h21 n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h21 s PHE 252 N -2.89 0.85 -0.05 -0.32 0.40 -0.99 -0.96 117.98 114.01 3h21 s PHE 252 Ca -0.08 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 3h21 s PHE 252 Cb 0.09 -0.50 0.00 0.00 0.51 0.00 0.00 43.02 43.12 3h21 s PHE 252 CO 0.85 -0.02 -0.14 0.14 0.70 0.00 0.00 175.22 176.75 3h21 s VAL 253 N -0.99 1.17 -0.44 -0.44 -7.23 -0.15 -1.18 120.40 111.14 3h21 s VAL 253 Ca -0.04 -0.55 -0.17 0.00 -1.81 0.00 0.00 61.98 59.41 3h21 s VAL 253 Cb -0.08 -1.03 0.03 0.00 0.56 0.00 0.00 36.38 35.86 3h21 s VAL 253 CO 0.01 0.35 0.43 -0.60 -0.31 0.00 0.00 175.10 174.98 3h21 s ARG 254 N 0.27 3.05 0.09 4.82 3.52 -0.15 -0.90 118.95 129.66 3h21 s ARG 254 Ca -0.07 -0.92 0.05 0.00 -0.13 0.00 0.00 55.73 54.66 3h21 s ARG 254 Cb -0.12 -4.01 -0.03 0.00 -1.56 0.00 0.00 34.95 29.22 3h21 s ARG 254 CO 0.02 -0.91 -0.13 0.14 -0.81 0.00 0.00 175.30 173.61 3h21 s VAL 255 N 2.03 1.14 -0.14 7.11 -7.23 -0.26 -4.03 120.40 119.01 3h21 s VAL 255 Ca 0.10 -1.47 -0.22 0.00 -1.81 0.00 0.00 61.98 58.58 3h21 s VAL 255 Cb -0.19 -1.24 -0.25 0.00 0.56 0.00 0.00 36.38 35.26 3h21 s VAL 255 CO 0.12 -0.34 0.56 0.45 -0.31 0.00 0.00 175.10 175.58 3h21 h HIS 256 N 3.96 0.20 -1.62 2.82 3.86 -1.88 -0.73 115.15 121.76 3h21 h HIS 256 Ca -0.40 -0.14 -0.74 0.00 -1.16 0.00 0.00 60.37 57.93 3h21 h HIS 256 Cb 1.19 -0.01 -0.15 0.00 1.06 0.00 0.00 27.41 29.50 3h21 h HIS 256 CO 0.64 1.34 1.81 -0.25 0.86 0.00 0.00 177.93 182.33 3h21 n ASP 257 N -4.30 5.08 -0.25 2.45 9.92 -1.26 -4.74 116.55 123.45 3h21 n ASP 257 Ca -0.21 -3.03 -0.02 0.00 -0.53 0.00 0.00 54.79 51.00 3h21 n ASP 257 Cb 0.70 -1.54 0.10 0.00 -0.64 0.00 0.00 41.12 39.74 3h21 n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h21 h VAL 258 N 4.24 1.02 0.08 2.53 2.07 -1.94 -2.19 116.25 122.06 3h21 h VAL 258 Ca 0.37 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3h21 h VAL 258 Cb 0.75 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3h21 h VAL 258 CO 1.47 0.14 -0.04 0.50 0.02 0.00 0.00 177.57 179.66 3h21 h LYS 259 N 0.78 -0.10 0.02 1.57 3.64 -1.88 -0.81 116.57 119.80 3h21 h LYS 259 Ca 0.30 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3h21 h LYS 259 Cb 0.12 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3h21 h LYS 259 CO -0.15 -0.03 -0.01 0.93 -2.27 0.00 0.00 179.45 177.92 3h21 h GLU 260 N -0.15 -0.02 -0.35 1.90 3.07 -1.88 -2.84 114.58 114.30 3h21 h GLU 260 Ca -0.01 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 3h21 h GLU 260 Cb 0.12 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3h21 h GLU 260 CO 0.02 0.32 -0.17 0.52 -1.40 0.00 0.00 179.01 178.29 3h21 h MET 261 N -0.37 0.65 -0.46 2.33 2.86 -1.39 -0.89 114.93 117.67 3h21 h MET 261 Ca -0.00 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 3h21 h MET 261 Cb 0.35 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3h21 h MET 261 CO 0.00 0.79 -0.04 1.03 1.06 0.00 0.00 176.91 179.75 3h21 h SER 262 N 0.58 0.76 -0.28 1.22 0.87 -1.18 0.32 113.55 115.85 3h21 h SER 262 Ca 0.09 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 3h21 h SER 262 Cb 0.62 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3h21 h SER 262 CO 0.04 0.85 -0.02 0.03 -0.53 0.00 0.00 176.83 177.20 3h21 h ARG 263 N 0.72 0.51 -0.59 2.24 3.08 -1.08 -2.49 114.38 116.77 3h21 h ARG 263 Ca 0.14 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3h21 h ARG 263 Cb 0.50 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3h21 h ARG 263 CO 0.03 0.68 0.35 0.52 -1.07 0.00 0.00 179.97 180.48 3h21 h MET 264 N 0.28 0.80 -0.50 0.04 2.86 -0.84 -2.01 114.93 115.56 3h21 h MET 264 Ca 0.08 -0.08 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3h21 h MET 264 Cb 0.47 -0.17 -0.09 0.00 0.06 0.00 0.00 31.60 31.88 3h21 h MET 264 CO 0.02 0.59 -0.03 0.00 1.06 0.00 0.00 176.91 178.54 3h21 h ALA 265 N 1.17 0.44 -0.49 6.32 0.00 -0.38 -0.07 119.26 126.24 3h21 h ALA 265 Ca 0.21 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 3h21 h ALA 265 Cb -0.01 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3h21 h ALA 265 CO -0.04 -0.40 -0.13 -0.22 0.00 0.00 0.00 179.25 178.46 3h21 h LYS 266 N 0.08 0.93 -0.34 0.00 3.64 -1.33 0.19 116.57 119.75 3h21 h LYS 266 Ca 0.25 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 3h21 h LYS 266 Cb 0.38 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3h21 h LYS 266 CO -0.45 1.00 -0.05 1.98 -2.27 0.00 0.00 179.45 179.67 3h21 h MET 267 N 0.83 0.63 -0.11 1.90 4.05 -1.07 -2.37 114.93 118.78 3h21 h MET 267 Ca 0.13 -0.23 0.04 0.00 -0.28 0.00 0.00 59.70 59.36 3h21 h MET 267 Cb 0.67 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.38 3h21 h MET 267 CO 0.05 0.78 -0.15 0.52 0.23 0.00 0.00 176.91 178.34 3h21 h MET 268 N 0.43 -0.19 -0.72 0.39 2.86 -0.53 -2.11 114.93 115.06 3h21 h MET 268 Ca 0.09 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.88 3h21 h MET 268 Cb 0.53 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.13 3h21 h MET 268 CO 0.03 -0.12 0.23 -0.44 1.06 0.00 0.00 176.91 177.66 3h21 h ASP 269 N -0.19 0.15 -0.62 1.22 3.45 -0.60 0.00 116.42 119.84 3h21 h ASP 269 Ca 0.09 0.12 -0.08 0.00 0.43 0.00 0.00 57.03 57.59 3h21 h ASP 269 Cb 0.32 0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.19 3h21 h ASP 269 CO -0.23 0.05 0.10 0.00 -1.57 0.00 0.00 179.24 177.58 3h21 h ALA 270 N 1.55 0.97 -0.09 3.45 0.00 -1.07 -1.11 119.26 122.96 3h21 h ALA 270 Ca 0.39 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3h21 h ALA 270 Cb 0.62 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h21 h ALA 270 CO -0.43 0.65 -0.14 0.52 0.00 0.00 0.00 179.25 179.84 3h21 h MET 271 N 0.98 0.26 0.00 0.00 2.86 -0.47 -3.13 114.93 115.42 3h21 h MET 271 Ca 0.19 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3h21 h MET 271 Cb 0.43 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3h21 h MET 271 CO 0.01 0.72 0.00 0.44 1.06 0.00 0.00 176.91 179.14 3h21 n ILE 272 N -4.60 0.54 -1.70 -1.22 -5.35 -0.16 -4.90 119.36 101.96 3h21 n ILE 272 Ca -0.07 0.14 -0.04 0.00 -0.27 0.00 0.00 62.75 62.50 3h21 n ILE 272 Cb 0.37 -0.81 -0.01 0.00 -1.74 0.00 0.00 39.64 37.45 3h21 n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h21 n GLY 273 N 0.43 0.40 0.00 3.28 0.00 -0.85 -5.07 105.19 103.38 3h21 n GLY 273 Ca 0.07 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.37 3h21 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49