#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h23 s TRP 3 N 0.00 2.54 -0.94 5.64 0.52 -1.26 -4.90 118.94 120.54 3h23 s TRP 3 Ca 0.00 0.46 0.12 0.00 0.02 0.00 0.00 56.10 56.70 3h23 s TRP 3 Cb 0.00 -3.88 0.55 0.00 -1.15 0.00 0.00 33.47 28.99 3h23 s TRP 3 CO 0.00 -3.46 1.39 -0.40 0.02 0.00 0.00 176.95 174.50 3h23 n ASP 4 N 5.54 3.89 -3.81 2.95 3.85 -1.26 -4.90 116.55 122.80 3h23 n ASP 4 Ca 0.15 -2.46 -0.09 0.00 -0.71 0.00 0.00 54.79 51.68 3h23 n ASP 4 Cb 0.41 -0.55 -0.04 0.00 -1.35 0.00 0.00 41.12 39.60 3h23 n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h23 s TYR 5 N -1.96 -0.00 0.15 2.11 -0.85 -1.26 -5.18 117.35 110.36 3h23 s TYR 5 Ca 0.38 -0.35 0.05 0.00 -0.52 0.00 0.00 57.07 56.62 3h23 s TYR 5 Cb 0.26 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 3h23 s TYR 5 CO 0.15 -0.95 0.10 -0.51 -1.52 0.00 0.00 175.55 172.83 3h23 s ASP 6 N -2.91 5.39 -0.39 -0.18 1.01 -1.26 -4.64 116.67 113.68 3h23 s ASP 6 Ca 0.12 -0.15 -0.29 0.00 0.71 0.00 0.00 52.55 52.94 3h23 s ASP 6 Cb -0.01 -1.37 0.01 0.00 1.01 0.00 0.00 42.92 42.56 3h23 s ASP 6 CO 0.00 0.09 1.28 -0.22 0.21 0.00 0.00 175.17 176.53 3h23 s LEU 7 N -2.92 3.71 -0.31 1.23 1.98 -0.06 -4.89 118.68 117.42 3h23 s LEU 7 Ca 0.30 0.85 -0.26 0.00 -2.89 0.00 0.00 54.13 52.13 3h23 s LEU 7 Cb -0.10 -3.54 0.01 0.00 0.66 0.00 0.00 46.19 43.21 3h23 s LEU 7 CO 0.22 -1.24 0.89 -0.13 -1.89 0.00 0.00 176.35 174.21 3h23 s ARG 8 N 4.48 4.01 -0.55 1.98 1.81 -1.26 -1.24 118.95 128.18 3h23 s ARG 8 Ca 0.55 0.79 0.06 0.00 -1.72 0.00 0.00 55.73 55.40 3h23 s ARG 8 Cb -0.12 -3.73 0.35 0.00 -0.45 0.00 0.00 34.95 31.00 3h23 s ARG 8 CO 0.28 -0.75 0.94 0.00 -0.68 0.00 0.00 175.30 175.10 3h23 n GLY 10 N -0.23 0.44 0.20 0.00 0.00 -1.26 -0.82 105.19 103.52 3h23 n GLY 10 Ca 0.31 0.65 0.06 0.00 0.00 0.00 0.00 46.02 47.04 3h23 n GLY 10 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h23 h GLU 11 N 0.00 0.00 -6.55 1.61 5.08 -2.02 -3.45 114.58 109.26 3h23 h GLU 11 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 3h23 h GLU 11 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 3h23 h GLU 11 CO 0.00 0.34 -0.75 0.71 -1.00 0.00 0.00 179.01 178.30 3h23 s TYR 12 N -3.80 2.71 -0.05 4.33 1.51 -0.00 -5.12 117.35 116.93 3h23 s TYR 12 Ca -0.01 -0.17 0.05 0.00 -1.01 0.00 0.00 57.07 55.93 3h23 s TYR 12 Cb 0.12 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.50 3h23 s TYR 12 CO 0.68 0.39 -0.19 0.99 -1.11 0.00 0.00 175.55 176.31 3h23 s THR 13 N -1.14 2.61 -0.25 -0.71 2.01 -1.26 -0.36 115.64 116.54 3h23 s THR 13 Ca 0.20 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 3h23 s THR 13 Cb -0.11 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.42 3h23 s THR 13 CO 0.11 0.58 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.84 3h23 s LEU 14 N -0.55 3.21 -0.13 4.42 1.43 -0.38 -4.98 118.68 121.71 3h23 s LEU 14 Ca 0.08 -0.66 -0.25 0.00 -1.03 0.00 0.00 54.13 52.26 3h23 s LEU 14 Cb -0.11 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3h23 s LEU 14 CO 0.01 -0.10 0.82 0.21 0.23 0.00 0.00 176.35 177.51 3h23 s ASN 15 N 1.42 7.00 0.00 2.29 3.84 -1.26 -0.88 114.94 127.34 3h23 s ASN 15 Ca 0.03 1.22 0.26 0.00 0.21 0.00 0.00 52.86 54.58 3h23 s ASN 15 Cb -0.16 -2.46 0.75 0.00 -0.55 0.00 0.00 41.25 38.84 3h23 s ASN 15 CO -0.03 -0.33 1.57 0.18 -2.79 0.00 0.00 177.10 175.70 3h23 n LEU 16 N 4.80 1.21 -0.01 3.21 4.77 -1.26 -4.15 117.00 125.56 3h23 n LEU 16 Ca 0.03 -0.35 0.05 0.00 -0.03 0.00 0.00 56.01 55.72 3h23 n LEU 16 Cb 0.49 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 3h23 n LEU 16 CO 0.48 0.22 -0.71 0.59 -1.33 0.00 0.00 177.39 176.64 3h23 n ASN 17 N -0.43 0.19 0.04 -1.43 3.02 -1.26 -4.61 115.26 110.79 3h23 n ASN 17 Ca 0.13 0.08 -0.22 0.00 -0.03 0.00 0.00 54.58 54.54 3h23 n ASN 17 Cb 0.36 1.40 -0.14 0.00 -0.61 0.00 0.00 39.78 40.79 3h23 n ASN 17 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3h23 h GLU 18 N 0.00 0.32 -2.59 3.52 4.81 -1.91 -2.94 114.58 115.79 3h23 h GLU 18 Ca -0.14 -0.54 -0.05 0.00 -0.13 0.00 0.00 59.36 58.50 3h23 h GLU 18 Cb 1.35 0.20 -0.16 0.00 0.63 0.00 0.00 28.75 30.77 3h23 h GLU 18 CO 0.01 1.26 0.15 -1.59 -0.73 0.00 0.00 179.01 178.11 3h23 s LYS 19 N -2.51 1.13 0.19 1.92 -2.85 -1.26 -3.89 119.74 112.48 3h23 s LYS 19 Ca -0.17 -0.15 -0.30 0.00 -1.00 0.00 0.00 55.97 54.35 3h23 s LYS 19 Cb 0.04 0.52 -0.09 0.00 -2.06 0.00 0.00 37.83 36.25 3h23 s LYS 19 CO 0.81 -0.42 1.33 0.99 0.10 0.00 0.00 175.35 178.16 3h23 s THR 20 N -2.47 3.16 -0.19 3.79 2.01 -1.26 -4.78 115.64 115.89 3h23 s THR 20 Ca -0.05 0.94 -0.16 0.00 0.31 0.00 0.00 61.69 62.73 3h23 s THR 20 Cb -0.01 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3h23 s THR 20 CO -0.02 0.13 0.41 -0.76 -0.69 0.00 0.00 174.62 173.70 3h23 s LEU 21 N -0.00 4.17 -0.28 4.42 1.43 -0.20 -4.97 118.68 123.25 3h23 s LEU 21 Ca 0.58 0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 53.98 3h23 s LEU 21 Cb -0.37 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.32 3h23 s LEU 21 CO 0.38 -0.07 0.87 -0.63 0.23 0.00 0.00 176.35 177.13 3h23 s ILE 22 N 1.24 4.75 -0.26 -0.59 -1.09 -1.26 -1.16 121.20 122.83 3h23 s ILE 22 Ca 0.20 1.48 -0.11 0.00 -2.23 0.00 0.00 60.65 59.99 3h23 s ILE 22 Cb -0.15 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 3h23 s ILE 22 CO 0.08 -0.22 0.18 -0.32 -1.23 0.00 0.00 174.94 173.42 3h23 s MET 23 N 3.05 4.00 -0.01 2.79 -2.45 0.22 -0.15 119.30 126.75 3h23 s MET 23 Ca 0.36 -0.30 -0.15 0.00 -1.25 0.00 0.00 55.69 54.35 3h23 s MET 23 Cb -0.14 -3.61 -0.06 0.00 1.25 0.00 0.00 34.83 32.27 3h23 s MET 23 CO 0.11 -0.08 0.42 0.20 1.05 0.00 0.00 175.02 176.71 3h23 s GLY 24 N 1.47 2.47 -0.30 2.11 0.00 -0.36 -1.17 107.32 111.54 3h23 s GLY 24 Ca 0.07 -0.21 -0.22 0.00 0.00 0.00 0.00 44.72 44.35 3h23 s GLY 24 CO 0.08 0.23 0.74 -0.42 0.00 0.00 0.00 173.10 173.73 3h23 s ILE 25 N -0.86 4.85 -0.10 0.90 1.01 -0.37 -1.54 121.20 125.09 3h23 s ILE 25 Ca 0.24 1.13 -0.29 0.00 0.00 0.00 0.00 60.65 61.72 3h23 s ILE 25 Cb -0.17 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 3h23 s ILE 25 CO 0.13 -0.18 1.52 -0.22 0.00 0.00 0.00 174.94 176.19 3h23 s LEU 26 N 2.82 4.26 -0.41 2.97 2.96 0.25 -4.86 118.68 126.67 3h23 s LEU 26 Ca 0.30 2.03 -0.29 0.00 -0.22 0.00 0.00 54.13 55.95 3h23 s LEU 26 Cb -0.15 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.02 3h23 s LEU 26 CO 0.12 -0.89 1.39 0.21 -1.32 0.00 0.00 176.35 175.86 3h23 s ASN 27 N 2.93 6.37 -0.41 3.68 3.84 -1.26 -4.77 114.94 125.32 3h23 s ASN 27 Ca 0.67 0.83 -0.12 0.00 0.21 0.00 0.00 52.86 54.45 3h23 s ASN 27 Cb -0.29 -2.54 0.05 0.00 -0.55 0.00 0.00 41.25 37.92 3h23 s ASN 27 CO 0.25 -1.40 0.28 -0.69 -2.79 0.00 0.00 177.10 172.74 3h23 s VAL 28 N 5.32 4.70 -0.43 -5.21 1.01 -1.26 -4.63 120.40 119.90 3h23 s VAL 28 Ca 0.60 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 3h23 s VAL 28 Cb -0.13 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.59 3h23 s VAL 28 CO 0.32 -0.41 0.28 -0.89 0.00 0.00 0.00 175.10 174.41 3h23 s THR 29 N 1.55 4.23 0.37 3.92 2.01 -1.26 -5.08 115.64 121.37 3h23 s THR 29 Ca 0.03 -1.51 -0.26 0.00 0.31 0.00 0.00 61.69 60.26 3h23 s THR 29 Cb -0.22 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 3h23 s THR 29 CO 0.06 -0.58 1.16 -2.84 -0.69 0.00 0.00 174.62 171.72 3h23 s PRO 30 N 1.41 4.20 -0.07 4.92 0.02 -1.26 -4.61 135.00 139.61 3h23 s PRO 30 Ca 0.04 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.60 3h23 s PRO 30 Cb -0.24 -2.80 -0.04 0.00 0.02 0.00 0.00 34.50 31.45 3h23 s PRO 30 CO 0.01 -0.19 1.34 -0.51 -0.33 0.00 0.00 177.00 177.32 3h23 s ASP 31 N -1.06 6.90 0.55 2.53 1.11 -1.26 -4.91 116.67 120.54 3h23 s ASP 31 Ca 0.54 1.93 0.29 0.00 0.18 0.00 0.00 52.55 55.48 3h23 s ASP 31 Cb -0.31 -2.55 1.46 0.00 1.07 0.00 0.00 42.92 42.59 3h23 s ASP 31 CO 0.40 -0.73 1.93 0.28 1.18 0.00 0.00 175.17 178.23 3h23 h SER 32 N 8.09 0.00 0.02 0.27 0.02 -2.05 -3.03 113.55 116.86 3h23 h SER 32 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3h23 h SER 32 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3h23 h SER 32 CO 0.93 0.00 -0.36 0.49 -1.14 0.00 0.00 176.83 176.74 3h23 n PHE 33 N -4.12 0.00 -4.24 3.45 3.01 -1.26 -4.97 117.46 109.33 3h23 n PHE 33 Ca 0.12 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.45 3h23 n PHE 33 Cb 0.74 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 40.09 3h23 n PHE 33 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3h23 s SER 34 N -2.40 0.99 0.00 4.37 1.04 -1.15 -5.04 113.70 111.51 3h23 s SER 34 Ca 0.21 -1.25 0.23 0.00 0.48 0.00 0.00 55.95 55.62 3h23 s SER 34 Cb 0.19 0.18 0.81 0.00 0.10 0.00 0.00 66.02 67.29 3h23 s SER 34 CO 0.52 -0.66 1.59 -0.90 0.98 0.00 0.00 173.24 174.77 3h23 n ASP 35 N -0.28 1.69 0.00 7.02 5.68 -1.26 -4.71 116.55 124.69 3h23 n ASP 35 Ca -0.04 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 3h23 n ASP 35 Cb 0.64 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3h23 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h23 n GLY 36 N 1.15 3.68 2.11 6.12 0.00 -1.26 -2.95 105.19 114.04 3h23 n GLY 36 Ca 0.17 -0.96 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 3h23 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h23 n GLY 37 N -1.31 0.46 3.85 -0.02 0.00 -1.25 -4.90 105.19 102.02 3h23 n GLY 37 Ca 0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3h23 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h23 s SER 38 N -2.14 6.48 0.11 1.61 1.04 -1.26 -4.93 113.70 114.62 3h23 s SER 38 Ca 0.00 1.51 -0.23 0.00 0.48 0.00 0.00 55.95 57.71 3h23 s SER 38 Cb 0.00 -2.49 -0.08 0.00 0.10 0.00 0.00 66.02 63.55 3h23 s SER 38 CO 0.00 -0.68 1.69 0.22 0.98 0.00 0.00 173.24 175.45 3h23 h TYR 39 N 0.49 -0.25 -0.62 5.02 3.20 -1.99 -2.46 116.97 120.37 3h23 h TYR 39 Ca -0.46 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.45 3h23 h TYR 39 Cb 1.19 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.53 3h23 h TYR 39 CO 0.64 -0.15 0.38 -0.91 -1.64 0.00 0.00 178.16 176.48 3h23 h ASN 40 N -0.16 0.62 0.79 -2.11 2.35 -1.98 0.28 115.58 115.37 3h23 h ASN 40 Ca 0.05 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.57 3h23 h ASN 40 Cb 0.22 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3h23 h ASN 40 CO -0.13 0.43 -1.09 1.05 -1.65 0.00 0.00 177.43 176.04 3h23 h GLU 41 N 0.74 0.14 -0.12 0.81 4.11 -1.80 -1.50 114.58 116.96 3h23 h GLU 41 Ca 0.25 -0.23 -0.15 0.00 0.07 0.00 0.00 59.36 59.30 3h23 h GLU 41 Cb 0.02 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.36 3h23 h GLU 41 CO -0.10 1.09 -0.50 0.28 0.07 0.00 0.00 179.01 179.85 3h23 h VAL 42 N 0.04 1.36 -0.76 -1.06 2.07 -1.33 -2.66 116.25 113.90 3h23 h VAL 42 Ca -0.07 -1.80 -0.00 0.00 0.82 0.00 0.00 66.70 65.65 3h23 h VAL 42 Cb 1.83 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 33.70 3h23 h VAL 42 CO 0.16 0.54 0.45 -0.78 0.02 0.00 0.00 177.57 177.97 3h23 h ASP 43 N 0.16 0.91 -0.73 0.57 3.58 -0.48 -0.62 116.42 119.81 3h23 h ASP 43 Ca -0.03 -0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.39 3h23 h ASP 43 Cb 1.13 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.91 3h23 h ASP 43 CO 0.10 0.70 0.47 0.00 -2.88 0.00 0.00 179.24 177.63 3h23 h ALA 44 N 1.45 0.95 -0.41 -0.78 0.00 -1.27 -2.08 119.26 117.12 3h23 h ALA 44 Ca 0.27 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3h23 h ALA 44 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3h23 h ALA 44 CO -0.05 0.27 -0.22 0.00 0.00 0.00 0.00 179.25 179.25 3h23 h ALA 45 N 1.30 0.83 -0.14 0.00 0.00 -1.01 -1.72 119.26 118.52 3h23 h ALA 45 Ca 0.29 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3h23 h ALA 45 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3h23 h ALA 45 CO -0.10 0.64 -0.30 0.28 0.00 0.00 0.00 179.25 179.77 3h23 h VAL 46 N 0.72 1.37 -0.23 0.00 2.07 -1.01 -2.56 116.25 116.60 3h23 h VAL 46 Ca 0.10 -1.58 -0.08 0.00 0.82 0.00 0.00 66.70 65.96 3h23 h VAL 46 Cb 0.75 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 3h23 h VAL 46 CO 0.06 0.47 -0.20 0.03 0.02 0.00 0.00 177.57 177.95 3h23 h ARG 47 N 0.05 0.41 -0.31 1.57 3.08 -1.31 -2.02 114.38 115.85 3h23 h ARG 47 Ca 0.00 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.76 3h23 h ARG 47 Cb 0.90 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3h23 h ARG 47 CO 0.07 0.60 -0.43 1.25 -1.07 0.00 0.00 179.97 180.38 3h23 h HIS 48 N 0.38 0.95 -0.38 3.04 2.76 -1.33 -1.87 115.15 118.70 3h23 h HIS 48 Ca 0.06 -0.30 -0.02 0.00 -2.20 0.00 0.00 60.37 57.91 3h23 h HIS 48 Cb 0.57 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 3h23 h HIS 48 CO 0.02 1.08 0.14 0.00 -1.30 0.00 0.00 177.93 177.86 3h23 h ALA 49 N 0.87 0.49 -0.55 5.26 0.00 -1.23 -1.31 119.26 122.79 3h23 h ALA 49 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3h23 h ALA 49 Cb 1.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3h23 h ALA 49 CO 0.10 0.11 0.27 0.87 0.00 0.00 0.00 179.25 180.60 3h23 h LYS 50 N 0.46 0.79 -0.62 0.00 1.57 -1.34 0.11 116.57 117.54 3h23 h LYS 50 Ca 0.12 -0.11 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 3h23 h LYS 50 Cb 0.21 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 3h23 h LYS 50 CO -0.01 0.64 0.18 1.49 -0.57 0.00 0.00 179.45 181.19 3h23 h GLU 51 N 0.74 0.32 -0.21 3.15 4.81 -1.19 0.64 114.58 122.85 3h23 h GLU 51 Ca 0.19 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.19 3h23 h GLU 51 Cb 0.11 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.42 3h23 h GLU 51 CO -0.03 0.21 -0.69 0.52 -0.73 0.00 0.00 179.01 178.29 3h23 h MET 52 N 0.33 0.83 -0.07 1.92 2.86 -0.69 -1.67 114.93 118.44 3h23 h MET 52 Ca 0.32 -0.61 0.04 0.00 -2.06 0.00 0.00 59.70 57.39 3h23 h MET 52 Cb 0.46 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.17 3h23 h MET 52 CO -0.37 1.23 -0.28 -0.09 1.06 0.00 0.00 176.91 178.46 3h23 h ARG 53 N 0.59 -0.37 0.00 1.72 1.12 -0.70 0.56 114.38 117.31 3h23 h ARG 53 Ca -0.03 0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3h23 h ARG 53 Cb 1.31 0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 31.36 3h23 h ARG 53 CO 0.15 -0.25 -0.00 -0.44 -3.11 0.00 0.00 179.97 176.32 3h23 h ASP 54 N -0.39 0.00 0.17 -3.80 3.32 -0.41 -2.34 116.42 112.97 3h23 h ASP 54 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3h23 h ASP 54 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3h23 h ASP 54 CO -0.29 0.00 -0.63 -0.62 -1.72 0.00 0.00 179.24 175.99 3h23 n GLU 55 N -3.20 0.42 0.00 3.56 1.02 -0.67 -4.95 120.64 116.81 3h23 n GLU 55 Ca -0.03 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 3h23 n GLU 55 Cb 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3h23 n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h23 n GLY 56 N 1.45 1.12 3.78 0.62 0.00 -0.85 -3.88 105.19 107.44 3h23 n GLY 56 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3h23 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h23 s ALA 57 N -1.75 2.91 -0.04 4.61 0.00 0.13 -4.74 121.76 122.89 3h23 s ALA 57 Ca 0.00 0.84 0.12 0.00 0.00 0.00 0.00 51.96 52.92 3h23 s ALA 57 Cb 0.00 -3.35 -0.18 0.00 0.00 0.00 0.00 23.12 19.59 3h23 s ALA 57 CO 0.00 -0.58 0.22 0.72 0.00 0.00 0.00 175.76 176.12 3h23 n HIS 58 N -0.68 0.00 -3.96 0.00 8.25 0.79 -4.64 115.22 114.97 3h23 n HIS 58 Ca 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.42 3h23 n HIS 58 Cb 0.49 -0.35 -0.14 0.00 1.12 0.00 0.00 29.99 31.12 3h23 n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h23 s ILE 59 N -2.74 0.13 -0.20 1.59 1.01 -1.03 -4.11 121.20 115.85 3h23 s ILE 59 Ca -0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 3h23 s ILE 59 Cb 0.07 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.36 3h23 s ILE 59 CO 0.51 -0.05 0.06 -0.63 0.00 0.00 0.00 174.94 174.83 3h23 s ILE 60 N -0.26 4.67 -0.21 2.92 -1.09 -0.30 -1.22 121.20 125.70 3h23 s ILE 60 Ca -0.02 -0.07 -0.08 0.00 -2.23 0.00 0.00 60.65 58.25 3h23 s ILE 60 Cb -0.02 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 3h23 s ILE 60 CO -0.00 0.43 0.09 -0.62 -1.23 0.00 0.00 174.94 173.61 3h23 s ASP 61 N 0.66 5.70 -0.10 3.58 3.68 -0.59 -0.72 116.67 128.89 3h23 s ASP 61 Ca 0.03 0.04 0.00 0.00 2.13 0.00 0.00 52.55 54.76 3h23 s ASP 61 Cb -0.13 -2.00 0.02 0.00 -1.45 0.00 0.00 42.92 39.36 3h23 s ASP 61 CO 0.02 0.10 -0.09 -0.63 0.13 0.00 0.00 175.17 174.70 3h23 s ILE 62 N 0.80 1.04 0.19 4.11 1.01 -0.78 -0.58 121.20 126.99 3h23 s ILE 62 Ca 0.05 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.46 3h23 s ILE 62 Cb -0.13 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3h23 s ILE 62 CO 0.02 0.36 -0.11 -0.83 0.00 0.00 0.00 174.94 174.38 3h23 s GLY 63 N 1.44 1.73 0.49 6.18 0.00 -1.26 -1.43 107.32 114.47 3h23 s GLY 63 Ca -0.00 -1.51 0.06 0.00 0.00 0.00 0.00 44.72 43.27 3h23 s GLY 63 CO -0.05 -1.54 0.68 -0.32 0.00 0.00 0.00 173.10 171.87 3h23 s GLY 64 N -2.85 1.87 0.53 0.20 0.00 -1.25 -4.89 107.32 100.93 3h23 s GLY 64 Ca 0.25 -1.69 0.30 0.00 0.00 0.00 0.00 44.72 43.57 3h23 s GLY 64 CO 0.15 -1.42 1.91 0.83 0.00 0.00 0.00 173.10 174.57 3h23 h GLU 65 N 0.37 0.02 0.00 2.90 5.08 -1.91 -3.05 114.58 117.98 3h23 h GLU 65 Ca -0.38 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 3h23 h GLU 65 Cb 1.28 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3h23 h GLU 65 CO 0.45 0.01 -0.11 1.03 -1.00 0.00 0.00 179.01 179.39 3h23 h SER 66 N 0.02 0.00 0.00 1.42 0.87 -1.88 -3.24 113.55 110.74 3h23 h SER 66 Ca 0.39 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 3h23 h SER 66 Cb 1.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.49 3h23 h SER 66 CO -0.01 0.11 -1.36 0.35 -0.53 0.00 0.00 176.83 175.39 3h23 n THR 67 N -3.60 0.04 -2.84 2.23 -2.24 -1.16 -4.88 114.28 101.82 3h23 n THR 67 Ca -0.02 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 3h23 n THR 67 Cb 0.24 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 3h23 n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3h23 s ARG 68 N -2.50 4.45 0.00 -0.78 0.52 -1.19 -5.01 118.95 114.44 3h23 s ARG 68 Ca -0.03 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.35 3h23 s ARG 68 Cb 0.05 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 32.02 3h23 s ARG 68 CO 0.31 -0.11 0.00 -2.30 0.02 0.00 0.00 175.30 173.22 3h23 n PRO 69 N 4.30 0.00 0.00 3.54 -0.02 -1.26 -3.39 135.00 138.16 3h23 n PRO 69 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3h23 n PRO 69 Cb 0.50 -0.12 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 3h23 n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h23 n GLY 70 N 0.00 0.71 3.93 -1.23 0.00 -1.26 -4.77 105.19 102.57 3h23 n GLY 70 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3h23 n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h23 s PHE 71 N -1.06 3.49 1.18 1.61 0.08 -1.22 -5.11 117.98 116.96 3h23 s PHE 71 Ca 0.00 0.23 -0.15 0.00 0.12 0.00 0.00 56.93 57.13 3h23 s PHE 71 Cb 0.00 -1.75 0.28 0.00 -0.57 0.00 0.00 43.02 40.98 3h23 s PHE 71 CO 0.00 0.50 1.03 0.00 -0.10 0.00 0.00 175.22 176.65 3h23 s ALA 72 N -1.69 -0.23 0.52 5.36 0.00 -1.26 -4.97 121.76 119.49 3h23 s ALA 72 Ca 0.36 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.74 3h23 s ALA 72 Cb -0.12 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 3h23 s ALA 72 CO 0.28 -3.78 1.23 0.15 0.00 0.00 0.00 175.76 173.64 3h23 s LYS 73 N -4.71 3.38 0.11 0.00 -0.14 -1.26 -4.51 119.74 112.61 3h23 s LYS 73 Ca 0.68 1.91 0.07 0.00 -1.36 0.00 0.00 55.97 57.27 3h23 s LYS 73 Cb -0.21 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.67 3h23 s LYS 73 CO 0.62 -0.90 -0.17 0.08 -0.76 0.00 0.00 175.35 174.21 3h23 s VAL 74 N -1.50 1.52 1.03 3.17 1.01 -1.26 -4.98 120.40 119.40 3h23 s VAL 74 Ca 0.70 -1.60 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 3h23 s VAL 74 Cb -0.32 -1.50 0.18 0.00 0.00 0.00 0.00 36.38 34.74 3h23 s VAL 74 CO 0.38 -0.22 0.91 -0.24 0.00 0.00 0.00 175.10 175.92 3h23 n SER 75 N 0.87 -0.95 -0.07 3.32 2.88 -1.26 -4.83 113.62 113.57 3h23 n SER 75 Ca -0.18 0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 57.40 3h23 n SER 75 Cb 0.55 -1.32 -0.05 0.00 -0.75 0.00 0.00 64.21 62.64 3h23 n SER 75 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3h23 h VAL 76 N -2.16 1.27 -0.21 2.46 2.07 -2.01 -2.15 116.25 115.52 3h23 h VAL 76 Ca -0.51 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.12 3h23 h VAL 76 Cb 1.30 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 3h23 h VAL 76 CO 0.43 0.28 -0.00 -0.08 0.02 0.00 0.00 177.57 178.22 3h23 h GLU 77 N 0.12 0.06 -0.64 1.57 4.22 -2.00 -2.39 114.58 115.52 3h23 h GLU 77 Ca 0.06 -0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.59 3h23 h GLU 77 Cb 0.43 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 3h23 h GLU 77 CO 0.01 0.04 0.25 0.93 -2.18 0.00 0.00 179.01 178.07 3h23 h GLU 78 N 0.06 0.43 -0.07 1.92 5.08 -1.94 -2.88 114.58 117.18 3h23 h GLU 78 Ca 0.10 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 3h23 h GLU 78 Cb 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3h23 h GLU 78 CO -0.17 0.28 -0.36 1.49 -1.00 0.00 0.00 179.01 179.25 3h23 h GLU 79 N 0.44 0.13 -0.13 2.33 4.81 -0.99 -3.06 114.58 118.11 3h23 h GLU 79 Ca 0.33 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 3h23 h GLU 79 Cb 0.41 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3h23 h GLU 79 CO -0.32 0.48 -0.35 0.82 -0.73 0.00 0.00 179.01 178.91 3h23 h ILE 80 N 0.12 1.37 -0.77 2.32 2.04 -1.24 -1.94 117.51 119.40 3h23 h ILE 80 Ca 0.01 -1.64 0.06 0.00 1.00 0.00 0.00 64.86 64.29 3h23 h ILE 80 Cb 0.70 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.78 3h23 h ILE 80 CO 0.05 0.49 0.45 0.11 0.00 0.00 0.00 178.15 179.26 3h23 h LYS 81 N 0.08 0.80 0.58 2.37 1.57 -1.52 -1.25 116.57 119.21 3h23 h LYS 81 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3h23 h LYS 81 Cb 0.97 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.10 3h23 h LYS 81 CO 0.08 0.53 -0.28 0.00 -0.57 0.00 0.00 179.45 179.21 3h23 h ARG 82 N 0.82 -0.75 -0.09 3.15 2.47 -1.42 -3.33 114.38 115.23 3h23 h ARG 82 Ca 0.34 0.05 -0.24 0.00 -1.26 0.00 0.00 59.98 58.87 3h23 h ARG 82 Cb 0.20 0.17 0.01 0.00 -1.65 0.00 0.00 29.97 28.70 3h23 h ARG 82 CO -0.18 -0.50 -0.89 -0.24 0.56 0.00 0.00 179.97 178.72 3h23 h VAL 83 N -0.90 1.28 -0.19 2.04 3.04 -1.38 -3.33 116.25 116.81 3h23 h VAL 83 Ca -0.08 -2.08 -0.01 0.00 -1.01 0.00 0.00 66.70 63.52 3h23 h VAL 83 Cb 0.60 2.14 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 3h23 h VAL 83 CO 0.13 0.65 0.08 0.58 -1.01 0.00 0.00 177.57 178.00 3h23 h VAL 84 N 0.48 1.16 -0.83 1.51 2.07 -1.42 -0.53 116.25 118.68 3h23 h VAL 84 Ca -0.08 -0.47 0.23 0.00 0.82 0.00 0.00 66.70 67.19 3h23 h VAL 84 Cb 1.53 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 3h23 h VAL 84 CO 0.18 0.15 0.59 -0.65 0.02 0.00 0.00 177.57 177.86 3h23 h PRO 85 N 0.15 0.07 0.02 1.57 0.11 -1.73 -1.07 132.00 131.12 3h23 h PRO 85 Ca 0.06 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.99 3h23 h PRO 85 Cb 0.17 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 31.28 3h23 h PRO 85 CO -0.01 0.05 -0.70 0.52 -0.21 0.00 0.00 178.00 177.65 3h23 h MET 86 N 0.08 0.44 -0.07 1.05 2.86 -1.30 -2.60 114.93 115.39 3h23 h MET 86 Ca 0.40 -0.50 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3h23 h MET 86 Cb 1.49 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 33.25 3h23 h MET 86 CO -0.04 1.16 -0.21 0.82 1.06 0.00 0.00 176.91 179.70 3h23 h ILE 87 N -0.06 0.50 -0.32 -1.22 2.04 -0.91 -0.91 117.51 116.62 3h23 h ILE 87 Ca -0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.83 3h23 h ILE 87 Cb 1.42 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 3h23 h ILE 87 CO 0.14 0.00 -0.03 1.56 0.00 0.00 0.00 178.15 179.82 3h23 h GLN 88 N -0.29 0.06 -0.19 2.37 4.20 -1.23 0.15 115.11 120.17 3h23 h GLN 88 Ca 0.08 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3h23 h GLN 88 Cb 0.41 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3h23 h GLN 88 CO -0.24 0.04 0.02 0.00 -0.67 0.00 0.00 178.83 177.98 3h23 h ALA 89 N 1.30 0.25 -0.26 3.87 0.00 -1.40 -2.57 119.26 120.45 3h23 h ALA 89 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3h23 h ALA 89 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h23 h ALA 89 CO -0.29 -0.06 -0.11 0.28 0.00 0.00 0.00 179.25 179.08 3h23 h VAL 90 N 0.10 1.29 0.30 0.00 2.07 -0.92 -1.77 116.25 117.34 3h23 h VAL 90 Ca 0.06 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3h23 h VAL 90 Cb 0.35 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3h23 h VAL 90 CO 0.01 0.37 -0.31 0.77 0.02 0.00 0.00 177.57 178.43 3h23 h SER 91 N 0.27 -0.83 -0.77 0.57 4.64 -0.76 1.09 113.55 117.76 3h23 h SER 91 Ca 0.06 0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.54 3h23 h SER 91 Cb 0.60 0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.92 3h23 h SER 91 CO 0.03 -0.44 0.50 0.50 -0.87 0.00 0.00 176.83 176.56 3h23 h LYS 92 N -0.64 0.72 0.00 4.77 3.64 -1.51 -3.32 116.57 120.24 3h23 h LYS 92 Ca -0.01 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.09 3h23 h LYS 92 Cb 0.59 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 3h23 h LYS 92 CO -0.06 0.48 -1.99 0.39 -2.27 0.00 0.00 179.45 175.99 3h23 n GLU 93 N -4.49 0.66 -4.38 1.90 1.02 -0.66 -4.86 120.64 109.83 3h23 n GLU 93 Ca 0.12 0.03 -0.33 0.00 -0.02 0.00 0.00 57.16 56.96 3h23 n GLU 93 Cb 0.29 -1.62 -0.16 0.00 -0.02 0.00 0.00 31.44 29.93 3h23 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h23 s VAL 94 N -2.84 2.47 -1.35 2.62 1.01 0.37 -5.04 120.40 117.64 3h23 s VAL 94 Ca -0.07 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 3h23 s VAL 94 Cb 0.09 -2.04 0.11 0.00 0.00 0.00 0.00 36.38 34.54 3h23 s VAL 94 CO 0.84 0.52 2.10 0.29 0.00 0.00 0.00 175.10 178.85 3h23 n LYS 95 N 4.29 3.56 -3.81 2.72 4.76 -1.26 -4.55 118.16 123.88 3h23 n LYS 95 Ca -0.20 -3.20 -0.12 0.00 -2.87 0.00 0.00 58.31 51.92 3h23 n LYS 95 Cb 0.51 -2.97 -0.09 0.00 -1.84 0.00 0.00 35.03 30.64 3h23 n LYS 95 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h23 s LEU 96 N 0.20 1.14 0.72 -0.35 1.43 -1.26 -5.13 118.68 115.43 3h23 s LEU 96 Ca 0.45 -0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.30 3h23 s LEU 96 Cb 0.12 1.05 0.03 0.00 0.03 0.00 0.00 46.19 47.42 3h23 s LEU 96 CO -0.04 -0.45 1.24 -0.81 0.23 0.00 0.00 176.35 176.53 3h23 n PRO 97 N 1.18 0.71 -5.07 1.29 -0.04 -1.26 -4.83 135.00 126.99 3h23 n PRO 97 Ca -0.21 0.31 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 3h23 n PRO 97 Cb 0.56 -2.48 -0.15 0.00 -0.04 0.00 0.00 33.50 31.39 3h23 n PRO 97 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h23 s ILE 98 N -1.70 2.48 -0.09 0.52 1.01 -1.26 -1.15 121.20 121.01 3h23 s ILE 98 Ca 0.79 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 3h23 s ILE 98 Cb -0.34 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3h23 s ILE 98 CO 0.45 0.56 0.04 -0.94 0.00 0.00 0.00 174.94 175.05 3h23 s SER 99 N -0.08 5.51 -0.34 3.58 1.04 0.10 0.87 113.70 124.39 3h23 s SER 99 Ca -0.05 0.22 -0.13 0.00 0.48 0.00 0.00 55.95 56.47 3h23 s SER 99 Cb -0.14 -1.61 -0.02 0.00 0.10 0.00 0.00 66.02 64.35 3h23 s SER 99 CO 0.04 0.38 0.25 -0.51 0.98 0.00 0.00 173.24 174.38 3h23 s ILE 100 N -0.93 5.28 -0.58 -1.02 1.10 -0.65 -1.86 121.20 122.54 3h23 s ILE 100 Ca 0.14 -0.18 -0.24 0.00 -0.51 0.00 0.00 60.65 59.86 3h23 s ILE 100 Cb -0.11 -3.72 0.05 0.00 0.15 0.00 0.00 42.46 38.82 3h23 s ILE 100 CO 0.03 -0.01 0.96 -0.62 -2.11 0.00 0.00 174.94 173.19 3h23 s ASP 101 N 1.72 6.30 -0.06 4.50 3.68 -0.51 -0.84 116.67 131.46 3h23 s ASP 101 Ca 0.07 -0.48 -0.29 0.00 2.13 0.00 0.00 52.55 53.98 3h23 s ASP 101 Cb -0.17 -2.44 0.06 0.00 -1.45 0.00 0.00 42.92 38.92 3h23 s ASP 101 CO 0.11 -1.29 0.64 0.28 0.13 0.00 0.00 175.17 175.03 3h23 s THR 102 N 4.04 0.01 -1.25 1.71 -1.32 -0.43 -3.81 115.64 114.60 3h23 s THR 102 Ca 0.29 -0.05 0.14 0.00 -1.21 0.00 0.00 61.69 60.85 3h23 s THR 102 Cb -0.13 -0.95 0.35 0.00 -1.51 0.00 0.00 72.50 70.26 3h23 s THR 102 CO 0.17 -0.03 1.27 0.00 -2.21 0.00 0.00 174.62 173.82 3h23 n TYR 103 N 1.09 0.50 -4.20 9.09 0.18 -1.26 -3.90 117.16 118.66 3h23 n TYR 103 Ca -0.19 -0.43 -0.34 0.00 1.88 0.00 0.00 57.90 58.82 3h23 n TYR 103 Cb 0.57 -0.02 -0.12 0.00 -0.38 0.00 0.00 39.34 39.39 3h23 n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h23 s LYS 104 N -1.02 3.73 0.32 -3.48 1.02 -1.26 -4.03 119.74 115.01 3h23 s LYS 104 Ca 0.28 -0.47 0.04 0.00 0.02 0.00 0.00 55.97 55.83 3h23 s LYS 104 Cb 0.15 -3.04 0.53 0.00 -0.52 0.00 0.00 37.83 34.95 3h23 s LYS 104 CO 0.20 0.18 1.82 0.00 -0.92 0.00 0.00 175.35 176.62 3h23 h ALA 105 N 6.95 1.27 -0.32 5.17 0.00 -1.91 -1.79 119.26 128.62 3h23 h ALA 105 Ca -0.34 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 3h23 h ALA 105 Cb 1.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3h23 h ALA 105 CO 0.64 0.48 -0.17 1.49 0.00 0.00 0.00 179.25 181.69 3h23 h GLU 106 N 0.47 0.69 -0.91 0.00 4.57 -1.95 -2.63 114.58 114.81 3h23 h GLU 106 Ca 0.09 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3h23 h GLU 106 Cb 0.45 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 3h23 h GLU 106 CO 0.02 0.90 0.56 0.28 -1.18 0.00 0.00 179.01 179.60 3h23 h VAL 107 N 0.45 1.25 -0.26 0.32 2.07 -1.85 -2.33 116.25 115.90 3h23 h VAL 107 Ca 0.07 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3h23 h VAL 107 Cb 0.70 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3h23 h VAL 107 CO 0.05 0.26 0.13 0.00 0.02 0.00 0.00 177.57 178.02 3h23 h ALA 108 N 1.31 0.33 0.00 1.67 0.00 -1.34 -1.79 119.26 119.45 3h23 h ALA 108 Ca 0.33 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3h23 h ALA 108 Cb -0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3h23 h ALA 108 CO -0.06 -0.11 -0.19 -0.22 0.00 0.00 0.00 179.25 178.66 3h23 h LYS 109 N 0.28 -0.30 -0.72 0.00 3.64 -1.37 -1.56 116.57 116.55 3h23 h LYS 109 Ca 0.09 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3h23 h LYS 109 Cb 0.11 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 3h23 h LYS 109 CO -0.01 -0.20 0.46 1.96 -2.27 0.00 0.00 179.45 179.39 3h23 h GLN 110 N -0.31 0.96 -0.51 1.90 1.08 -1.45 -1.94 115.11 114.85 3h23 h GLN 110 Ca 0.06 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 3h23 h GLN 110 Cb 0.38 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 3h23 h GLN 110 CO -0.17 0.65 -0.04 0.00 -0.95 0.00 0.00 178.83 178.32 3h23 h ALA 111 N 1.52 0.69 -0.03 3.87 0.00 -0.93 -1.60 119.26 122.78 3h23 h ALA 111 Ca 0.26 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h23 h ALA 111 Cb -0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3h23 h ALA 111 CO -0.05 0.53 0.01 0.82 0.00 0.00 0.00 179.25 180.56 3h23 h ILE 112 N 0.78 1.11 -0.91 0.00 2.04 -1.11 -1.62 117.51 117.80 3h23 h ILE 112 Ca 0.14 -0.31 0.17 0.00 1.00 0.00 0.00 64.86 65.85 3h23 h ILE 112 Cb 0.57 1.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 3h23 h ILE 112 CO 0.03 0.09 0.59 -0.33 0.00 0.00 0.00 178.15 178.53 3h23 h GLU 113 N -0.08 0.62 -0.12 2.37 4.39 -1.35 0.49 114.58 120.90 3h23 h GLU 113 Ca 0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3h23 h GLU 113 Cb 0.13 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3h23 h GLU 113 CO -0.00 0.41 0.00 0.00 -1.16 0.00 0.00 179.01 178.26 3h23 n ALA 114 N -2.44 2.55 0.00 3.43 0.00 -0.61 -4.92 120.51 118.53 3h23 n ALA 114 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3h23 n ALA 114 Cb 0.54 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3h23 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h23 n GLY 115 N 1.03 1.09 3.83 0.00 0.00 0.16 -3.67 105.19 107.62 3h23 n GLY 115 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3h23 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h23 s ALA 116 N -1.57 3.05 -0.04 4.61 0.00 -0.69 -4.75 121.76 122.36 3h23 s ALA 116 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.37 3h23 s ALA 116 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 3h23 s ALA 116 CO 0.00 0.05 0.08 0.72 0.00 0.00 0.00 175.76 176.61 3h23 n HIS 117 N -0.84 0.00 -4.44 0.00 -0.00 0.25 -4.52 115.22 105.67 3h23 n HIS 117 Ca 0.07 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.58 3h23 n HIS 117 Cb 0.54 -0.26 -0.14 0.00 -0.00 0.00 0.00 29.99 30.13 3h23 n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h23 s ILE 118 N -2.30 1.21 -0.18 1.59 1.01 -0.51 -3.86 121.20 118.16 3h23 s ILE 118 Ca -0.03 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 59.57 3h23 s ILE 118 Cb 0.03 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 3h23 s ILE 118 CO 0.28 0.08 0.03 -0.63 0.00 0.00 0.00 174.94 174.70 3h23 s ILE 119 N -0.78 4.46 -0.45 2.92 1.01 -0.19 -1.63 121.20 126.54 3h23 s ILE 119 Ca 0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 3h23 s ILE 119 Cb -0.08 -3.00 0.12 0.00 0.01 0.00 0.00 42.46 39.51 3h23 s ILE 119 CO 0.01 0.46 0.30 0.21 0.00 0.00 0.00 174.94 175.92 3h23 s ASN 120 N 0.48 5.52 -0.42 3.58 2.47 -0.02 0.14 114.94 126.69 3h23 s ASN 120 Ca 0.01 -2.00 -0.11 0.00 0.42 0.00 0.00 52.86 51.18 3h23 s ASN 120 Cb -0.13 -1.94 0.07 0.00 -1.45 0.00 0.00 41.25 37.80 3h23 s ASN 120 CO 0.01 -0.62 0.27 -0.62 -3.72 0.00 0.00 177.10 172.42 3h23 s ASP 121 N 2.27 5.75 0.04 -4.21 3.68 -0.68 -1.31 116.67 122.21 3h23 s ASP 121 Ca 0.07 -1.36 0.07 0.00 2.13 0.00 0.00 52.55 53.47 3h23 s ASP 121 Cb -0.25 -2.03 0.32 0.00 -1.45 0.00 0.00 42.92 39.51 3h23 s ASP 121 CO -0.02 -0.52 1.22 2.30 0.13 0.00 0.00 175.17 178.27 3h23 n ILE 122 N 4.99 1.58 0.61 4.11 -5.35 -1.26 -2.19 119.36 121.85 3h23 n ILE 122 Ca -0.11 0.44 0.08 0.00 -0.27 0.00 0.00 62.75 62.88 3h23 n ILE 122 Cb 0.44 -1.36 0.07 0.00 -1.74 0.00 0.00 39.64 37.05 3h23 n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h23 n TRP 123 N -1.59 0.02 -3.49 4.28 7.02 -1.26 -4.53 117.44 117.89 3h23 n TRP 123 Ca 0.01 -0.02 -0.22 0.00 -1.02 0.00 0.00 57.50 56.26 3h23 n TRP 123 Cb 0.06 -0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.02 3h23 n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h23 n GLY 124 N 0.86 -0.41 2.39 6.99 0.00 -0.93 -1.74 105.19 112.35 3h23 n GLY 124 Ca 0.09 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 3h23 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h23 n ALA 125 N -4.76 -0.02 0.01 4.61 0.00 -1.26 -4.59 120.51 114.50 3h23 n ALA 125 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.47 3h23 n ALA 125 Cb 0.56 -0.68 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 3h23 n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h23 n LYS 126 N -1.53 0.64 0.05 0.00 5.02 -0.71 -2.90 118.16 118.72 3h23 n LYS 126 Ca -0.01 0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 3h23 n LYS 126 Cb 0.21 -1.72 -0.09 0.00 -0.02 0.00 0.00 35.03 33.42 3h23 n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h23 h ALA 127 N 1.48 -0.16 -2.87 7.82 0.00 -1.86 -3.40 119.26 120.26 3h23 h ALA 127 Ca -0.19 -0.22 -0.58 0.00 0.00 0.00 0.00 54.91 53.92 3h23 h ALA 127 Cb 1.57 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 19.02 3h23 h ALA 127 CO 0.03 -0.36 -0.78 -1.21 0.00 0.00 0.00 179.25 176.93 3h23 s GLU 128 N -4.25 0.67 0.59 0.00 2.02 -1.26 -5.00 118.70 111.47 3h23 s GLU 128 Ca -0.15 -1.23 0.29 0.00 0.02 0.00 0.00 54.97 53.91 3h23 s GLU 128 Cb 0.02 -1.68 1.41 0.00 0.10 0.00 0.00 34.13 33.97 3h23 s GLU 128 CO 0.60 -1.10 1.81 -1.35 0.02 0.00 0.00 175.26 175.24 3h23 h PRO 129 N 7.56 0.00 -0.01 0.39 0.11 -1.76 -2.18 132.00 136.10 3h23 h PRO 129 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3h23 h PRO 129 Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3h23 h PRO 129 CO 0.41 0.00 0.03 0.87 -0.21 0.00 0.00 178.00 179.10 3h23 h LYS 130 N 0.00 0.00 0.00 1.05 1.57 -1.95 -1.70 116.57 115.54 3h23 h LYS 130 Ca 0.28 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 3h23 h LYS 130 Cb 1.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 3h23 h LYS 130 CO -0.00 0.00 -0.14 0.97 -0.57 0.00 0.00 179.45 179.71 3h23 h ILE 131 N 0.00 0.98 0.00 1.86 2.10 -1.71 -2.13 117.51 118.60 3h23 h ILE 131 Ca 0.01 -0.48 -0.08 0.00 1.08 0.00 0.00 64.86 65.38 3h23 h ILE 131 Cb 0.07 1.27 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 3h23 h ILE 131 CO -0.00 0.13 -0.40 0.00 -1.08 0.00 0.00 178.15 176.80 3h23 h ALA 132 N 1.86 0.95 -0.12 0.18 0.00 -1.53 -1.15 119.26 119.46 3h23 h ALA 132 Ca -0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 3h23 h ALA 132 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3h23 h ALA 132 CO 0.02 0.50 -0.65 0.93 0.00 0.00 0.00 179.25 180.05 3h23 h GLU 133 N 0.00 0.44 -0.08 0.00 5.08 -1.51 -1.08 114.58 117.44 3h23 h GLU 133 Ca -0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3h23 h GLU 133 Cb 0.97 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 3h23 h GLU 133 CO 0.05 0.94 0.02 0.28 -1.00 0.00 0.00 179.01 179.31 3h23 h VAL 134 N 0.32 1.17 0.09 3.13 2.07 -1.25 -2.19 116.25 119.59 3h23 h VAL 134 Ca -0.01 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.02 3h23 h VAL 134 Cb 1.20 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 3h23 h VAL 134 CO 0.11 0.15 -0.41 0.00 0.02 0.00 0.00 177.57 177.44 3h23 h ALA 135 N 0.83 -0.70 -0.53 1.67 0.00 -1.16 -1.97 119.26 117.41 3h23 h ALA 135 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3h23 h ALA 135 Cb 0.21 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3h23 h ALA 135 CO -0.00 -0.96 0.35 0.00 0.00 0.00 0.00 179.25 178.64 3h23 h ALA 136 N -0.11 1.79 0.04 0.00 0.00 -1.19 0.26 119.26 120.04 3h23 h ALA 136 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h23 h ALA 136 Cb 0.66 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3h23 h ALA 136 CO -0.25 0.14 -0.02 1.25 0.00 0.00 0.00 179.25 180.37 3h23 h HIS 137 N 0.56 -0.04 0.00 0.00 6.17 -1.11 -2.85 115.15 117.87 3h23 h HIS 137 Ca 0.22 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.30 3h23 h HIS 137 Cb 0.17 0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.11 3h23 h HIS 137 CO -0.00 0.59 0.00 0.66 0.71 0.00 0.00 177.93 179.89 3h23 n TYR 138 N -4.79 0.00 -3.88 5.26 4.01 -0.76 -4.90 117.16 112.10 3h23 n TYR 138 Ca -0.09 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.37 3h23 n TYR 138 Cb 0.32 -0.43 0.02 0.00 -0.31 0.00 0.00 39.34 38.95 3h23 n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h23 n ASP 139 N -1.43 -3.59 -4.82 7.72 4.64 0.86 -5.00 116.55 114.94 3h23 n ASP 139 Ca 0.06 -0.81 -0.31 0.00 -1.38 0.00 0.00 54.79 52.35 3h23 n ASP 139 Cb 0.19 -3.84 -0.06 0.00 -1.04 0.00 0.00 41.12 36.38 3h23 n ASP 139 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3h23 s VAL 140 N -3.43 4.81 0.51 5.18 -7.23 -0.96 -4.98 120.40 114.31 3h23 s VAL 140 Ca 0.47 -0.62 -0.22 0.00 -1.81 0.00 0.00 61.98 59.79 3h23 s VAL 140 Cb -0.23 -3.32 -0.07 0.00 0.56 0.00 0.00 36.38 33.32 3h23 s VAL 140 CO 0.83 0.15 1.11 -2.65 -0.31 0.00 0.00 175.10 174.23 3h23 n PRO 141 N 0.47 1.37 -3.98 4.82 -0.02 -1.25 -4.78 135.00 131.63 3h23 n PRO 141 Ca -0.08 0.50 -0.23 0.00 -2.02 0.00 0.00 63.50 61.67 3h23 n PRO 141 Cb 0.51 -2.26 -0.17 0.00 -0.02 0.00 0.00 33.50 31.57 3h23 n PRO 141 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3h23 s ILE 142 N -1.35 0.66 -0.23 4.25 2.07 0.84 -1.02 121.20 126.42 3h23 s ILE 142 Ca 0.69 -0.10 -0.23 0.00 -1.41 0.00 0.00 60.65 59.60 3h23 s ILE 142 Cb -0.47 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.38 3h23 s ILE 142 CO 0.52 0.29 0.73 -0.63 -1.91 0.00 0.00 174.94 173.94 3h23 s ILE 143 N 1.52 4.92 -0.52 2.00 1.01 0.12 -1.62 121.20 128.63 3h23 s ILE 143 Ca -0.01 1.36 -0.11 0.00 0.00 0.00 0.00 60.65 61.90 3h23 s ILE 143 Cb -0.13 -4.03 0.13 0.00 0.01 0.00 0.00 42.46 38.44 3h23 s ILE 143 CO -0.04 0.00 0.42 -0.76 0.00 0.00 0.00 174.94 174.56 3h23 s LEU 144 N 2.49 5.86 0.22 2.97 1.43 0.16 -1.69 118.68 130.11 3h23 s LEU 144 Ca 0.31 -2.00 -0.20 0.00 -1.03 0.00 0.00 54.13 51.22 3h23 s LEU 144 Cb -0.16 -2.06 -0.08 0.00 0.03 0.00 0.00 46.19 43.92 3h23 s LEU 144 CO 0.09 -0.70 0.72 -0.32 0.23 0.00 0.00 176.35 176.37 3h23 s MET 145 N 1.25 4.26 0.19 1.70 1.75 -1.00 -2.03 119.30 125.43 3h23 s MET 145 Ca 0.07 0.88 -0.30 0.00 -1.25 0.00 0.00 55.69 55.08 3h23 s MET 145 Cb -0.26 -2.90 -0.09 0.00 2.84 0.00 0.00 34.83 34.42 3h23 s MET 145 CO -0.01 0.41 1.33 -1.58 -0.65 0.00 0.00 175.02 174.52 3h23 s HIS 146 N -1.50 3.23 -0.06 4.11 2.46 0.11 -3.56 115.29 120.08 3h23 s HIS 146 Ca 0.42 1.17 -0.29 0.00 0.47 0.00 0.00 55.06 56.83 3h23 s HIS 146 Cb -0.17 -3.63 0.11 0.00 -0.13 0.00 0.00 32.58 28.75 3h23 s HIS 146 CO 0.21 -2.02 0.89 1.21 -2.47 0.00 0.00 174.74 172.56 3h23 s ASN 147 N 0.44 -0.41 0.23 9.88 3.84 -1.26 -4.15 114.94 123.51 3h23 s ASN 147 Ca 0.58 0.22 -0.21 0.00 0.21 0.00 0.00 52.86 53.66 3h23 s ASN 147 Cb -0.37 0.38 0.04 0.00 -0.55 0.00 0.00 41.25 40.75 3h23 s ASN 147 CO 0.38 -0.54 0.66 0.00 -2.79 0.00 0.00 177.10 174.81 3h23 s ARG 148 N -2.24 1.59 -0.30 0.43 1.70 -1.26 -5.02 118.95 113.85 3h23 s ARG 148 Ca 0.01 -0.82 0.09 0.00 -0.47 0.00 0.00 55.73 54.54 3h23 s ARG 148 Cb -0.01 0.59 0.69 0.00 -0.57 0.00 0.00 34.95 35.65 3h23 s ARG 148 CO -0.03 -0.72 1.72 -0.40 -1.08 0.00 0.00 175.30 174.79 3h23 n ASP 149 N -0.42 4.62 -3.83 -2.89 5.68 -1.26 -4.69 116.55 113.76 3h23 n ASP 149 Ca -0.09 -3.10 -0.08 0.00 -0.50 0.00 0.00 54.79 51.03 3h23 n ASP 149 Cb 0.61 -0.73 -0.02 0.00 -1.14 0.00 0.00 41.12 39.84 3h23 n ASP 149 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h23 s ASN 150 N -0.86 -0.27 -0.17 -1.12 2.20 -1.26 -5.06 114.94 108.40 3h23 s ASN 150 Ca 0.50 -0.58 0.14 0.00 -0.94 0.00 0.00 52.86 51.98 3h23 s ASN 150 Cb 0.40 0.71 0.38 0.00 -2.00 0.00 0.00 41.25 40.74 3h23 s ASN 150 CO 0.13 -1.30 1.20 0.23 -2.94 0.00 0.00 177.10 174.41 3h23 n MET 151 N -0.45 1.39 -2.77 3.55 2.81 -1.26 -4.86 117.12 115.53 3h23 n MET 151 Ca -0.05 -3.01 -0.44 0.00 -1.81 0.00 0.00 57.70 52.39 3h23 n MET 151 Cb 0.60 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 3h23 n MET 151 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3h23 n ASN 152 N -1.09 5.10 -4.81 7.83 3.02 -1.26 -5.00 115.26 119.05 3h23 n ASN 152 Ca 0.17 -2.96 -0.38 0.00 -0.03 0.00 0.00 54.58 51.37 3h23 n ASN 152 Cb 0.70 -1.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.19 3h23 n ASN 152 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h23 s TYR 153 N 2.36 3.80 -0.05 3.10 1.51 -1.26 -4.97 117.35 121.84 3h23 s TYR 153 Ca 0.46 1.32 -0.17 0.00 -1.01 0.00 0.00 57.07 57.67 3h23 s TYR 153 Cb 0.00 -2.54 -0.31 0.00 -0.11 0.00 0.00 41.96 39.01 3h23 s TYR 153 CO 0.02 0.55 0.76 -0.09 -1.11 0.00 0.00 175.55 175.69 3h23 h ARG 154 N 4.37 0.34 -1.79 -0.62 2.43 -2.01 -3.44 114.38 113.66 3h23 h ARG 154 Ca -0.49 -0.58 -0.20 0.00 -0.81 0.00 0.00 59.98 57.90 3h23 h ARG 154 Cb 1.21 0.22 -0.29 0.00 -0.42 0.00 0.00 29.97 30.68 3h23 h ARG 154 CO 0.64 1.28 -0.54 1.21 -1.51 0.00 0.00 179.97 181.05 3h23 s ASN 155 N -7.15 0.53 0.09 -3.80 3.84 -1.26 -5.08 114.94 102.10 3h23 s ASN 155 Ca -0.15 -0.34 -0.17 0.00 0.21 0.00 0.00 52.86 52.41 3h23 s ASN 155 Cb 0.03 1.03 -0.04 0.00 -0.55 0.00 0.00 41.25 41.73 3h23 s ASN 155 CO 0.83 -0.35 0.96 -0.11 -2.79 0.00 0.00 177.10 175.64 3h23 n LEU 156 N 5.35 -0.57 0.01 3.21 7.94 -1.26 -1.07 117.00 130.60 3h23 n LEU 156 Ca -0.00 1.09 -0.10 0.00 -1.11 0.00 0.00 56.01 55.89 3h23 n LEU 156 Cb 0.49 -0.19 0.04 0.00 0.53 0.00 0.00 43.42 44.29 3h23 n LEU 156 CO -0.00 -0.85 0.45 0.24 -1.11 0.00 0.00 177.39 176.11 3h23 h MET 157 N 0.00 0.56 -0.93 1.96 2.86 -1.98 -0.84 114.93 116.56 3h23 h MET 157 Ca 0.09 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 3h23 h MET 157 Cb 0.22 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3h23 h MET 157 CO -0.51 0.98 0.54 0.00 1.06 0.00 0.00 176.91 178.99 3h23 h ALA 158 N 0.93 1.18 -0.07 6.32 0.00 -1.84 -1.46 119.26 124.32 3h23 h ALA 158 Ca -0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 3h23 h ALA 158 Cb 1.14 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.57 3h23 h ALA 158 CO 0.11 0.66 -0.88 -0.44 0.00 0.00 0.00 179.25 178.70 3h23 h ASP 159 N 1.28 0.81 -0.40 0.00 3.32 -0.85 -1.99 116.42 118.60 3h23 h ASP 159 Ca 0.33 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3h23 h ASP 159 Cb -0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3h23 h ASP 159 CO -0.06 1.37 0.23 0.24 -1.72 0.00 0.00 179.24 179.30 3h23 h MET 160 N 0.41 0.55 -0.11 3.56 2.86 -0.92 0.33 114.93 121.61 3h23 h MET 160 Ca -0.08 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3h23 h MET 160 Cb 1.50 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.04 3h23 h MET 160 CO 0.17 0.43 0.04 0.82 1.06 0.00 0.00 176.91 179.43 3h23 h ILE 161 N 0.52 0.98 -0.77 -1.22 2.04 -1.27 -0.16 117.51 117.63 3h23 h ILE 161 Ca 0.14 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.04 3h23 h ILE 161 Cb 0.03 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 3h23 h ILE 161 CO -0.02 0.02 0.44 0.00 0.00 0.00 0.00 178.15 178.58 3h23 h ALA 162 N 1.06 1.06 -0.17 1.87 0.00 -1.23 -0.59 119.26 121.27 3h23 h ALA 162 Ca 0.05 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3h23 h ALA 162 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h23 h ALA 162 CO -0.04 0.11 -0.35 -0.44 0.00 0.00 0.00 179.25 178.52 3h23 h ASP 163 N 0.78 0.36 -0.37 0.00 3.32 -0.63 -2.27 116.42 117.60 3h23 h ASP 163 Ca 0.36 -0.14 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 3h23 h ASP 163 Cb 0.26 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3h23 h ASP 163 CO -0.21 0.69 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.51 3h23 h LEU 164 N 0.30 1.00 -0.41 1.55 3.38 -0.58 -2.57 115.31 117.97 3h23 h LEU 164 Ca 0.03 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3h23 h LEU 164 Cb 0.76 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3h23 h LEU 164 CO 0.06 1.27 0.24 1.88 0.09 0.00 0.00 178.44 181.98 3h23 h TYR 165 N 0.74 0.56 -0.98 1.13 0.05 -0.96 0.12 116.97 117.63 3h23 h TYR 165 Ca 0.05 -0.01 0.21 0.00 0.05 0.00 0.00 58.73 59.03 3h23 h TYR 165 Cb 1.01 -0.18 -0.09 0.00 1.01 0.00 0.00 36.73 38.48 3h23 h TYR 165 CO 0.07 0.41 0.62 -0.44 -1.05 0.00 0.00 178.16 177.76 3h23 h ASP 166 N 0.54 0.59 -0.02 3.88 3.32 -1.38 0.26 116.42 123.62 3h23 h ASP 166 Ca 0.15 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 3h23 h ASP 166 Cb 0.02 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3h23 h ASP 166 CO -0.03 0.20 -0.01 0.28 -1.72 0.00 0.00 179.24 177.96 3h23 h SER 167 N 0.57 0.04 -0.93 6.45 0.02 -0.88 -2.73 113.55 116.09 3h23 h SER 167 Ca 0.54 -0.46 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3h23 h SER 167 Cb 1.11 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.58 3h23 h SER 167 CO -0.29 0.49 0.61 0.40 -1.14 0.00 0.00 176.83 176.89 3h23 h ILE 168 N -0.41 1.11 -0.37 3.27 2.04 0.02 -1.06 117.51 122.12 3h23 h ILE 168 Ca 0.00 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 3h23 h ILE 168 Cb 0.48 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3h23 h ILE 168 CO 0.00 0.20 -0.04 0.50 0.00 0.00 0.00 178.15 178.81 3h23 h LYS 169 N 1.12 0.61 -0.12 2.37 1.63 -0.53 -1.16 116.57 120.49 3h23 h LYS 169 Ca 0.39 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 3h23 h LYS 169 Cb 0.11 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3h23 h LYS 169 CO -0.13 0.67 -0.00 0.82 -3.45 0.00 0.00 179.45 177.35 3h23 h ILE 170 N 0.58 1.26 0.10 2.00 2.04 -0.89 -2.24 117.51 120.35 3h23 h ILE 170 Ca 0.11 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.15 3h23 h ILE 170 Cb 0.43 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3h23 h ILE 170 CO 0.02 0.24 -0.13 0.00 0.00 0.00 0.00 178.15 178.28 3h23 h ALA 171 N 0.74 -0.23 -0.12 1.87 0.00 -1.35 -2.72 119.26 117.46 3h23 h ALA 171 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3h23 h ALA 171 Cb 0.37 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3h23 h ALA 171 CO 0.01 -0.65 -0.42 0.87 0.00 0.00 0.00 179.25 179.05 3h23 h LYS 172 N -0.27 0.26 0.00 0.00 1.57 -1.27 -1.45 116.57 115.41 3h23 h LYS 172 Ca 0.01 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3h23 h LYS 172 Cb 0.28 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3h23 h LYS 172 CO -0.06 0.64 0.00 -0.25 -0.57 0.00 0.00 179.45 179.21 3h23 n ASP 173 N -4.02 0.30 -0.69 0.86 10.43 -0.84 -1.51 116.55 121.08 3h23 n ASP 173 Ca -0.02 0.57 0.12 0.00 2.57 0.00 0.00 54.79 58.04 3h23 n ASP 173 Cb 0.49 -0.64 0.21 0.00 1.84 0.00 0.00 41.12 43.03 3h23 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h23 n ALA 174 N -1.62 2.75 -0.36 2.24 0.00 -0.85 -4.98 120.51 117.69 3h23 n ALA 174 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3h23 n ALA 174 Cb 0.21 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3h23 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h23 n GLY 175 N 1.32 0.80 3.66 0.00 0.00 -0.57 -4.77 105.19 105.64 3h23 n GLY 175 Ca 0.14 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3h23 n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h23 s VAL 176 N -2.00 3.44 0.42 1.61 1.01 -0.61 -4.79 120.40 119.49 3h23 s VAL 176 Ca 0.00 0.60 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 3h23 s VAL 176 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 3h23 s VAL 176 CO 0.00 -0.04 1.25 -0.13 0.00 0.00 0.00 175.10 176.18 3h23 s ARG 177 N 3.84 3.90 0.34 2.72 0.52 -1.26 -4.41 118.95 124.60 3h23 s ARG 177 Ca 0.75 2.02 0.11 0.00 -0.52 0.00 0.00 55.73 58.09 3h23 s ARG 177 Cb -0.35 -2.65 0.89 0.00 0.52 0.00 0.00 34.95 33.36 3h23 s ARG 177 CO 0.31 -0.51 1.77 -0.44 0.02 0.00 0.00 175.30 176.46 3h23 h ASP 178 N 2.48 0.65 0.00 0.23 3.32 -1.98 0.18 116.42 121.30 3h23 h ASP 178 Ca -0.49 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3h23 h ASP 178 Cb 1.25 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3h23 h ASP 178 CO 0.62 0.18 0.00 -0.62 -1.72 0.00 0.00 179.24 177.70 3h23 n GLU 179 N -4.74 0.65 -0.29 3.56 1.02 -1.26 -2.04 120.64 117.54 3h23 n GLU 179 Ca 0.24 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.46 3h23 n GLU 179 Cb 0.70 -1.43 0.20 0.00 -0.02 0.00 0.00 31.44 30.89 3h23 n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h23 n ASN 180 N -0.93 3.25 -4.43 1.62 5.03 0.64 -4.79 115.26 115.66 3h23 n ASN 180 Ca 0.13 -2.81 -0.33 0.00 0.87 0.00 0.00 54.58 52.44 3h23 n ASN 180 Cb 0.06 -0.43 -0.13 0.00 -1.02 0.00 0.00 39.78 38.26 3h23 n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h23 s ILE 181 N -2.43 3.41 -0.04 2.41 1.01 -0.87 -0.11 121.20 124.57 3h23 s ILE 181 Ca 0.34 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.51 3h23 s ILE 181 Cb 0.27 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 3h23 s ILE 181 CO 0.08 0.51 -0.19 -0.63 0.00 0.00 0.00 174.94 174.71 3h23 s ILE 182 N 0.34 1.54 0.20 2.92 1.01 -0.64 -4.34 121.20 122.23 3h23 s ILE 182 Ca -0.08 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.83 3h23 s ILE 182 Cb -0.15 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3h23 s ILE 182 CO 0.05 0.44 0.32 -0.76 0.00 0.00 0.00 174.94 174.99 3h23 s LEU 183 N -0.05 4.31 -0.06 2.97 1.43 -0.61 0.36 118.68 127.03 3h23 s LEU 183 Ca -0.02 0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3h23 s LEU 183 Cb -0.11 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.28 3h23 s LEU 183 CO 0.02 -0.02 0.12 -0.62 0.23 0.00 0.00 176.35 176.08 3h23 s ASP 184 N -3.66 0.16 0.00 2.29 3.68 -0.86 -0.28 116.67 118.00 3h23 s ASP 184 Ca 0.34 0.24 0.16 0.00 2.13 0.00 0.00 52.55 55.42 3h23 s ASP 184 Cb -0.10 0.13 0.82 0.00 -1.45 0.00 0.00 42.92 42.32 3h23 s ASP 184 CO 0.29 -0.17 1.45 -0.81 0.13 0.00 0.00 175.17 176.06 3h23 n PRO 185 N 4.48 0.25 -3.41 4.34 -0.04 -1.26 -0.72 135.00 138.64 3h23 n PRO 185 Ca -0.21 0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.17 3h23 n PRO 185 Cb 0.51 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.53 3h23 n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h23 n GLY 186 N 0.06 -0.94 3.69 0.55 0.00 -1.26 -4.55 105.19 102.75 3h23 n GLY 186 Ca 0.08 0.45 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 3h23 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h23 s ILE 187 N -3.43 3.18 0.00 -0.61 -1.09 -1.26 -2.16 121.20 115.83 3h23 s ILE 187 Ca 0.36 0.67 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 3h23 s ILE 187 Cb -0.07 -3.43 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 3h23 s ILE 187 CO 0.77 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 175.10 3h23 n GLY 188 N 3.85 0.50 3.13 6.18 0.00 -1.26 -4.92 105.19 112.66 3h23 n GLY 188 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3h23 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h23 s PHE 189 N -2.00 3.30 -1.39 1.61 0.40 -0.92 -4.57 117.98 114.41 3h23 s PHE 189 Ca 0.00 -2.11 -0.04 0.00 -0.60 0.00 0.00 56.93 54.18 3h23 s PHE 189 Cb 0.00 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.42 3h23 s PHE 189 CO 0.00 -0.84 0.52 0.00 0.70 0.00 0.00 175.22 175.59 3h23 n ALA 190 N 4.54 -0.84 -3.76 5.36 0.00 -1.26 -4.74 120.51 119.80 3h23 n ALA 190 Ca -0.12 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 3h23 n ALA 190 Cb 0.43 -3.45 -0.16 0.00 0.00 0.00 0.00 19.45 16.27 3h23 n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h23 s LYS 191 N -5.53 -0.02 0.95 0.00 1.02 -1.26 -4.62 119.74 110.28 3h23 s LYS 191 Ca 0.26 0.22 -0.12 0.00 0.02 0.00 0.00 55.97 56.35 3h23 s LYS 191 Cb -0.11 -0.24 0.08 0.00 -0.52 0.00 0.00 37.83 37.05 3h23 s LYS 191 CO 0.32 -0.17 0.68 0.25 -0.92 0.00 0.00 175.35 175.51 3h23 n THR 192 N 4.18 0.00 -0.33 2.17 -2.24 -1.26 -4.67 114.28 112.13 3h23 n THR 192 Ca -0.28 -0.13 0.24 0.00 -2.27 0.00 0.00 64.05 61.62 3h23 n THR 192 Cb 0.50 -0.77 0.47 0.00 -2.10 0.00 0.00 70.33 68.44 3h23 n THR 192 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3h23 h PRO 193 N -1.73 0.26 -0.05 -0.78 0.11 -1.97 -0.33 132.00 127.50 3h23 h PRO 193 Ca -0.44 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.42 3h23 h PRO 193 Cb 1.28 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.35 3h23 h PRO 193 CO 0.37 0.17 -0.87 0.93 -0.21 0.00 0.00 178.00 178.39 3h23 h GLU 194 N 0.27 0.69 -0.73 1.05 3.07 -1.98 -2.91 114.58 114.03 3h23 h GLU 194 Ca 0.74 -0.67 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3h23 h GLU 194 Cb 1.71 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 29.75 3h23 h GLU 194 CO -0.64 1.26 0.39 1.96 -1.40 0.00 0.00 179.01 180.58 3h23 h GLN 195 N 0.36 1.03 -0.87 2.33 4.20 -1.77 -1.48 115.11 118.90 3h23 h GLN 195 Ca -0.09 -0.13 0.11 0.00 0.06 0.00 0.00 58.65 58.59 3h23 h GLN 195 Cb 1.53 -0.20 -0.08 0.00 0.30 0.00 0.00 27.48 29.03 3h23 h GLN 195 CO 0.17 0.78 0.50 -0.91 -0.67 0.00 0.00 178.83 178.70 3h23 h ASN 196 N 1.01 0.71 0.23 1.46 2.35 -1.05 -0.15 115.58 120.14 3h23 h ASN 196 Ca 0.25 0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.88 3h23 h ASN 196 Cb 0.06 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3h23 h ASN 196 CO -0.04 0.38 -0.69 -0.07 -1.65 0.00 0.00 177.43 175.37 3h23 h LEU 197 N 0.81 0.48 -0.96 1.61 3.38 -1.29 -2.29 115.31 117.05 3h23 h LEU 197 Ca 0.43 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3h23 h LEU 197 Cb 0.44 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3h23 h LEU 197 CO -0.27 1.03 0.07 -0.08 0.09 0.00 0.00 178.44 179.27 3h23 h GLU 198 N 0.29 0.82 -0.26 1.13 4.81 -0.68 -0.10 114.58 120.60 3h23 h GLU 198 Ca -0.02 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 58.90 3h23 h GLU 198 Cb 1.25 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 3h23 h GLU 198 CO 0.12 0.78 -0.29 0.00 -0.73 0.00 0.00 179.01 178.89 3h23 h ALA 199 N 1.29 0.38 -0.42 2.92 0.00 -1.01 -2.72 119.26 119.70 3h23 h ALA 199 Ca 0.16 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 54.75 3h23 h ALA 199 Cb 0.37 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 3h23 h ALA 199 CO 0.01 0.39 -0.05 0.52 0.00 0.00 0.00 179.25 180.12 3h23 h MET 200 N 0.36 0.06 0.00 0.00 2.86 -1.27 -0.15 114.93 116.79 3h23 h MET 200 Ca 0.04 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3h23 h MET 200 Cb 0.86 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 3h23 h MET 200 CO 0.07 0.04 -0.01 -0.09 1.06 0.00 0.00 176.91 177.98 3h23 h ARG 201 N 0.06 0.00 0.00 1.72 2.43 -0.93 -3.20 114.38 114.45 3h23 h ARG 201 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3h23 h ARG 201 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3h23 h ARG 201 CO -0.39 0.01 -0.19 0.09 -1.51 0.00 0.00 179.97 177.99 3h23 n ASN 202 N -3.27 1.22 -0.05 -3.80 3.02 -0.97 -4.82 115.26 106.59 3h23 n ASN 202 Ca -0.03 -2.38 0.23 0.00 -0.03 0.00 0.00 54.58 52.38 3h23 n ASN 202 Cb 0.11 -0.26 0.71 0.00 -0.61 0.00 0.00 39.78 39.73 3h23 n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h23 h LEU 203 N 0.00 0.00 -1.76 3.41 3.38 -1.03 -2.17 115.31 117.14 3h23 h LEU 203 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h23 h LEU 203 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3h23 h LEU 203 CO 0.00 0.00 0.01 1.05 0.09 0.00 0.00 178.44 179.59 3h23 h GLU 204 N 0.00 0.00 0.00 1.13 9.09 -1.88 -1.15 114.58 121.77 3h23 h GLU 204 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 3h23 h GLU 204 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3h23 h GLU 204 CO -0.00 0.00 0.00 1.96 0.05 0.00 0.00 179.01 181.02 3h23 h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.73 -2.79 115.11 115.86 3h23 h GLN 205 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3h23 h GLN 205 Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3h23 h GLN 205 CO 0.00 0.00 -0.07 1.25 -0.67 0.00 0.00 178.83 179.34 3h23 h LEU 206 N 0.00 0.00 -1.30 1.46 5.85 -1.41 -2.90 115.31 117.01 3h23 h LEU 206 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h23 h LEU 206 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3h23 h LEU 206 CO 0.00 0.07 0.00 0.78 -0.34 0.00 0.00 178.44 178.95 3h23 h ASN 207 N 0.00 0.00 0.15 1.25 2.35 -1.66 -3.10 115.58 114.58 3h23 h ASN 207 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3h23 h ASN 207 Cb 0.71 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 3h23 h ASN 207 CO 0.01 0.00 -0.08 -0.37 -1.65 0.00 0.00 177.43 175.34 3h23 h VAL 208 N 0.00 0.74 0.00 2.81 -1.51 -1.72 -2.36 116.25 114.21 3h23 h VAL 208 Ca 0.00 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 3h23 h VAL 208 Cb 0.49 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.83 3h23 h VAL 208 CO 0.00 0.08 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.28 3h23 h LEU 209 N 0.00 0.00 0.00 4.19 4.07 -1.78 -3.47 115.31 118.33 3h23 h LEU 209 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3h23 h LEU 209 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 3h23 h LEU 209 CO 0.01 0.07 0.00 0.61 -1.08 0.00 0.00 178.44 178.05 3h23 n GLY 210 N -0.43 0.65 3.31 0.83 0.00 -0.89 -5.07 105.19 103.58 3h23 n GLY 210 Ca -0.01 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 3h23 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h23 s TYR 211 N -2.00 1.72 0.61 1.61 1.51 -1.26 -5.10 117.35 114.43 3h23 s TYR 211 Ca 0.00 -0.49 -0.19 0.00 -1.01 0.00 0.00 57.07 55.37 3h23 s TYR 211 Cb 0.00 -0.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 3h23 s TYR 211 CO 0.00 0.28 1.33 -2.14 -1.11 0.00 0.00 175.55 173.91 3h23 s PRO 212 N -2.78 2.76 -0.13 -1.71 0.02 -1.26 -4.82 135.00 127.07 3h23 s PRO 212 Ca 0.14 2.15 0.02 0.00 0.02 0.00 0.00 61.00 63.34 3h23 s PRO 212 Cb -0.05 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.48 3h23 s PRO 212 CO 0.06 -1.47 -0.21 0.08 -0.33 0.00 0.00 177.00 175.13 3h23 s VAL 213 N -1.34 1.96 0.05 3.83 1.01 -1.26 -1.58 120.40 123.06 3h23 s VAL 213 Ca 0.79 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 3h23 s VAL 213 Cb -0.39 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 3h23 s VAL 213 CO 0.43 0.53 0.58 -0.22 0.00 0.00 0.00 175.10 176.43 3h23 s LEU 214 N 0.83 4.49 -0.09 3.92 0.20 0.62 -1.61 118.68 127.05 3h23 s LEU 214 Ca -0.07 1.24 0.03 0.00 0.69 0.00 0.00 54.13 56.02 3h23 s LEU 214 Cb -0.15 -2.91 -0.01 0.00 -0.43 0.00 0.00 46.19 42.68 3h23 s LEU 214 CO -0.02 0.22 -0.19 -0.22 -0.29 0.00 0.00 176.35 175.85 3h23 s LEU 215 N -0.81 2.40 -0.30 -0.68 2.96 0.13 -4.18 118.68 118.20 3h23 s LEU 215 Ca 0.30 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3h23 s LEU 215 Cb -0.19 -1.49 0.10 0.00 0.50 0.00 0.00 46.19 45.11 3h23 s LEU 215 CO 0.19 0.22 0.11 -0.83 -1.32 0.00 0.00 176.35 174.71 3h23 s GLY 216 N 0.00 0.90 0.00 7.98 0.00 -1.26 -0.71 107.32 114.24 3h23 s GLY 216 Ca -0.06 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.16 3h23 s GLY 216 CO 0.05 1.74 0.58 -1.30 0.00 0.00 0.00 173.10 174.18 3h23 n THR 217 N 4.97 0.20 -1.62 0.90 -2.24 -1.26 -4.49 114.28 110.74 3h23 n THR 217 Ca -0.03 -0.58 -0.48 0.00 -2.27 0.00 0.00 64.05 60.69 3h23 n THR 217 Cb 0.42 0.93 -0.05 0.00 -2.10 0.00 0.00 70.33 69.53 3h23 n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h23 n SER 218 N -0.10 3.15 -0.09 3.42 2.88 -1.26 -1.61 113.62 120.02 3h23 n SER 218 Ca 0.00 0.74 -0.01 0.00 -1.33 0.00 0.00 58.87 58.27 3h23 n SER 218 Cb 0.06 -1.38 -0.00 0.00 -0.75 0.00 0.00 64.21 62.14 3h23 n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h23 n ARG 219 N 7.29 -1.68 -1.09 -1.46 1.74 -1.26 -4.91 116.66 115.28 3h23 n ARG 219 Ca 0.28 0.47 -0.31 0.00 -0.77 0.00 0.00 57.85 57.52 3h23 n ARG 219 Cb 0.30 -4.76 0.12 0.00 -1.02 0.00 0.00 32.46 27.10 3h23 n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h23 s LYS 220 N -1.83 1.85 0.19 5.56 1.02 -0.63 -4.88 119.74 121.01 3h23 s LYS 220 Ca 0.00 1.33 0.21 0.00 0.02 0.00 0.00 55.97 57.53 3h23 s LYS 220 Cb 0.00 -1.84 0.88 0.00 -0.52 0.00 0.00 37.83 36.35 3h23 s LYS 220 CO 0.00 -1.98 1.65 -1.13 -0.92 0.00 0.00 175.35 172.97 3h23 n SER 221 N -3.70 0.49 0.20 2.83 3.41 -1.26 -2.25 113.62 113.34 3h23 n SER 221 Ca 0.10 0.62 0.04 0.00 -0.26 0.00 0.00 58.87 59.37 3h23 n SER 221 Cb 0.53 -0.72 0.41 0.00 -0.26 0.00 0.00 64.21 64.16 3h23 n SER 221 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 3h23 h PHE 222 N 0.00 0.00 -0.91 7.33 -5.15 -1.93 0.33 116.94 116.61 3h23 h PHE 222 Ca 0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3h23 h PHE 222 Cb 0.34 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.47 3h23 h PHE 222 CO 0.00 0.34 0.56 0.82 -2.00 0.00 0.00 178.31 178.03 3h23 h ILE 223 N 0.00 1.25 -0.06 0.88 2.04 -1.80 -1.65 117.51 118.16 3h23 h ILE 223 Ca -0.00 -0.53 -0.24 0.00 1.00 0.00 0.00 64.86 65.09 3h23 h ILE 223 Cb 0.65 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3h23 h ILE 223 CO 0.04 0.26 -0.90 1.23 0.00 0.00 0.00 178.15 178.78 3h23 h GLY 224 N 1.25 0.73 0.19 5.37 0.00 -1.33 -0.56 103.07 108.73 3h23 h GLY 224 Ca 0.33 -1.16 0.09 0.00 0.00 0.00 0.00 47.33 46.58 3h23 h GLY 224 CO -0.06 1.03 -0.04 0.84 0.00 0.00 0.00 176.54 178.30 3h23 h HIS 225 N 0.41 -0.11 0.11 5.60 -0.00 -0.20 0.22 115.15 121.18 3h23 h HIS 225 Ca -0.08 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 3h23 h HIS 225 Cb 1.53 0.12 0.00 0.00 -0.00 0.00 0.00 27.41 29.06 3h23 h HIS 225 CO 0.08 -0.14 -0.05 0.28 -0.00 0.00 0.00 177.93 178.11 3h23 h VAL 226 N 0.06 1.10 0.00 5.26 2.07 -1.00 -3.35 116.25 120.40 3h23 h VAL 226 Ca 0.22 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3h23 h VAL 226 Cb 0.34 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3h23 h VAL 226 CO -0.41 0.27 -0.77 -0.07 0.02 0.00 0.00 177.57 176.60 3h23 h LEU 227 N -0.72 0.00 -2.22 2.57 3.38 -1.16 -3.48 115.31 113.68 3h23 h LEU 227 Ca -0.01 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 3h23 h LEU 227 Cb 0.54 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.41 3h23 h LEU 227 CO 0.02 0.03 -0.53 -0.67 0.09 0.00 0.00 178.44 177.38 3h23 n ASP 228 N -2.55 -3.58 -3.92 -0.43 2.03 0.77 -5.04 116.55 103.82 3h23 n ASP 228 Ca 0.01 -0.43 -0.13 0.00 0.52 0.00 0.00 54.79 54.76 3h23 n ASP 228 Cb 0.51 -3.55 -0.14 0.00 -0.72 0.00 0.00 41.12 37.23 3h23 n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h23 s LEU 229 N -4.69 2.04 0.94 -2.67 1.43 -1.23 -5.08 118.68 109.42 3h23 s LEU 229 Ca 0.15 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.03 3h23 s LEU 229 Cb -0.02 -0.07 0.16 0.00 0.03 0.00 0.00 46.19 46.29 3h23 s LEU 229 CO 0.48 -0.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.97 3h23 s PRO 230 N -0.28 0.87 0.41 1.29 0.04 -1.26 -4.44 135.00 131.64 3h23 s PRO 230 Ca -0.02 0.61 0.19 0.00 0.04 0.00 0.00 61.00 61.82 3h23 s PRO 230 Cb -0.02 -1.78 1.10 0.00 0.04 0.00 0.00 34.50 33.84 3h23 s PRO 230 CO -0.00 -2.45 1.82 0.28 0.04 0.00 0.00 177.00 176.69 3h23 h VAL 231 N -1.70 0.61 -0.00 -0.36 2.07 -1.98 0.22 116.25 115.11 3h23 h VAL 231 Ca -0.52 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3h23 h VAL 231 Cb 1.31 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3h23 h VAL 231 CO 0.57 0.07 -0.18 -1.84 0.02 0.00 0.00 177.57 176.21 3h23 n GLU 232 N -4.54 0.66 -0.97 1.57 0.00 -1.26 -3.45 120.64 112.66 3h23 n GLU 232 Ca 0.22 -0.29 -0.11 0.00 0.00 0.00 0.00 57.16 56.97 3h23 n GLU 232 Cb 0.78 -1.49 0.20 0.00 0.00 0.00 0.00 31.44 30.93 3h23 n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h23 n GLU 233 N -0.91 2.18 -0.12 3.44 -0.58 0.76 -4.73 120.64 120.68 3h23 n GLU 233 Ca 0.13 -3.10 0.05 0.00 -0.42 0.00 0.00 57.16 53.81 3h23 n GLU 233 Cb 0.31 -1.98 0.11 0.00 -0.57 0.00 0.00 31.44 29.30 3h23 n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h23 n ARG 234 N -1.04 2.36 0.03 3.49 1.74 -1.22 -4.72 116.66 117.30 3h23 n ARG 234 Ca 0.43 -1.77 -0.12 0.00 -0.77 0.00 0.00 57.85 55.62 3h23 n ARG 234 Cb 1.30 -1.21 -0.06 0.00 -1.02 0.00 0.00 32.46 31.46 3h23 n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h23 h LEU 235 N 1.70 -1.20 -0.26 0.55 5.85 -1.86 0.32 115.31 120.41 3h23 h LEU 235 Ca 0.00 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3h23 h LEU 235 Cb 0.63 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3h23 h LEU 235 CO 0.00 -0.43 0.16 -0.33 -0.34 0.00 0.00 178.44 177.50 3h23 h GLU 236 N -0.51 0.35 0.17 1.25 3.07 -1.99 0.23 114.58 117.14 3h23 h GLU 236 Ca 0.06 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 3h23 h GLU 236 Cb 0.62 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.43 3h23 h GLU 236 CO -0.34 0.28 -0.26 0.78 -1.40 0.00 0.00 179.01 178.07 3h23 h GLY 237 N 0.32 -0.51 -0.40 -3.84 0.00 -1.81 -2.23 103.07 94.60 3h23 h GLY 237 Ca 0.09 0.30 0.19 0.00 0.00 0.00 0.00 47.33 47.91 3h23 h GLY 237 CO -0.02 -0.23 0.06 -0.84 0.00 0.00 0.00 176.54 175.52 3h23 h THR 238 N -0.49 0.32 -0.39 4.70 2.02 -0.29 -2.49 112.91 116.29 3h23 h THR 238 Ca 0.02 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3h23 h THR 238 Cb 0.50 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3h23 h THR 238 CO -0.12 0.02 0.10 1.23 0.37 0.00 0.00 175.52 177.12 3h23 h GLY 239 N 0.13 0.62 1.03 2.16 0.00 -0.65 -1.72 103.07 104.64 3h23 h GLY 239 Ca 0.45 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 3h23 h GLY 239 CO -0.67 0.31 0.17 0.00 0.00 0.00 0.00 176.54 176.34 3h23 h ALA 240 N 1.54 0.85 -0.01 3.60 0.00 -0.98 -2.20 119.26 122.06 3h23 h ALA 240 Ca 0.13 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3h23 h ALA 240 Cb 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3h23 h ALA 240 CO -0.00 0.55 -0.73 1.79 0.00 0.00 0.00 179.25 180.86 3h23 h THR 241 N 0.95 1.48 -0.12 0.00 1.35 -1.05 -2.48 112.91 113.05 3h23 h THR 241 Ca 0.20 -2.38 -0.06 0.00 -0.55 0.00 0.00 66.41 63.63 3h23 h THR 241 Cb 0.34 2.28 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3h23 h THR 241 CO 0.00 0.69 -0.14 0.58 -0.25 0.00 0.00 175.52 176.39 3h23 h VAL 242 N 0.06 1.36 -0.37 6.82 2.07 -1.31 -0.88 116.25 123.99 3h23 h VAL 242 Ca -0.02 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.20 3h23 h VAL 242 Cb 1.28 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 3h23 h VAL 242 CO 0.10 0.39 0.16 0.00 0.02 0.00 0.00 177.57 178.24 3h23 h LEU 244 N 0.33 0.86 -0.40 0.00 5.85 -1.48 -1.41 115.31 119.06 3h23 h LEU 244 Ca 0.17 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3h23 h LEU 244 Cb 0.11 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3h23 h LEU 244 CO -0.15 0.64 0.22 1.23 -0.34 0.00 0.00 178.44 180.04 3h23 h GLY 245 N 1.00 0.55 1.06 3.75 0.00 -0.90 -1.51 103.07 107.02 3h23 h GLY 245 Ca 0.27 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 3h23 h GLY 245 CO -0.06 0.13 -0.28 -2.22 0.00 0.00 0.00 176.54 174.11 3h23 h ILE 246 N 0.44 1.28 -0.31 2.60 2.04 -1.05 -2.27 117.51 120.24 3h23 h ILE 246 Ca 0.16 -1.45 0.09 0.00 1.00 0.00 0.00 64.86 64.67 3h23 h ILE 246 Cb 0.04 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3h23 h ILE 246 CO -0.09 0.48 0.25 -0.08 0.00 0.00 0.00 178.15 178.71 3h23 h GLU 247 N 0.67 0.00 -0.02 2.37 4.22 -1.05 -2.27 114.58 118.50 3h23 h GLU 247 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.51 3h23 h GLU 247 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3h23 h GLU 247 CO 0.08 0.00 -0.03 1.63 -2.18 0.00 0.00 179.01 178.50 3h23 n LYS 248 N -4.21 1.76 0.00 1.92 5.02 -0.59 -4.95 118.16 117.12 3h23 n LYS 248 Ca 0.04 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.15 3h23 n LYS 248 Cb 0.41 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 3h23 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h23 n GLY 249 N 1.24 0.98 3.77 0.72 0.00 -0.85 -4.21 105.19 106.84 3h23 n GLY 249 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3h23 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h23 n GLU 251 N -0.55 0.66 -4.26 0.00 4.71 -0.63 -4.69 120.64 115.88 3h23 n GLU 251 Ca 0.08 0.07 -0.21 0.00 -0.01 0.00 0.00 57.16 57.08 3h23 n GLU 251 Cb 0.49 -1.63 -0.12 0.00 -1.01 0.00 0.00 31.44 29.16 3h23 n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h23 s PHE 252 N -2.75 1.49 0.08 -0.32 0.40 -0.95 -1.03 117.98 114.90 3h23 s PHE 252 Ca -0.07 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 55.89 3h23 s PHE 252 Cb 0.08 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.75 3h23 s PHE 252 CO 0.84 0.12 -0.17 0.14 0.70 0.00 0.00 175.22 176.85 3h23 s VAL 253 N -1.17 1.33 -0.31 -0.44 -7.23 -0.31 -0.69 120.40 111.59 3h23 s VAL 253 Ca 0.02 -1.41 -0.03 0.00 -1.81 0.00 0.00 61.98 58.75 3h23 s VAL 253 Cb -0.10 -1.27 0.04 0.00 0.56 0.00 0.00 36.38 35.62 3h23 s VAL 253 CO 0.03 -0.18 0.02 -0.60 -0.31 0.00 0.00 175.10 174.07 3h23 s ARG 254 N -1.85 2.53 0.06 4.82 3.52 0.12 -0.61 118.95 127.54 3h23 s ARG 254 Ca 0.01 -1.21 0.04 0.00 -0.13 0.00 0.00 55.73 54.44 3h23 s ARG 254 Cb -0.10 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 30.03 3h23 s ARG 254 CO 0.03 -0.61 -0.11 0.14 -0.81 0.00 0.00 175.30 173.94 3h23 s VAL 255 N 1.30 0.81 -0.06 7.11 -7.23 -0.32 -4.07 120.40 117.94 3h23 s VAL 255 Ca -0.04 -1.19 -0.19 0.00 -1.81 0.00 0.00 61.98 58.75 3h23 s VAL 255 Cb -0.19 -0.83 -0.30 0.00 0.56 0.00 0.00 36.38 35.62 3h23 s VAL 255 CO -0.00 -0.31 0.77 0.45 -0.31 0.00 0.00 175.10 175.70 3h23 h HIS 256 N 4.40 0.53 -2.68 2.82 3.86 -1.89 -0.98 115.15 121.21 3h23 h HIS 256 Ca -0.38 -0.39 -0.74 0.00 -1.16 0.00 0.00 60.37 57.70 3h23 h HIS 256 Cb 1.20 -0.02 -0.20 0.00 1.06 0.00 0.00 27.41 29.44 3h23 h HIS 256 CO 0.64 1.42 0.86 -0.51 0.86 0.00 0.00 177.93 181.20 3h23 s ASP 257 N -7.04 6.90 -0.03 2.45 1.11 -1.26 -4.75 116.67 114.05 3h23 s ASP 257 Ca -0.16 -2.68 -0.24 0.00 0.18 0.00 0.00 52.55 49.65 3h23 s ASP 257 Cb 0.02 -2.35 -0.18 0.00 1.07 0.00 0.00 42.92 41.48 3h23 s ASP 257 CO 0.81 -0.78 1.09 0.58 1.18 0.00 0.00 175.17 178.06 3h23 h VAL 258 N 4.98 1.09 -0.31 -1.27 2.07 -1.93 -1.01 116.25 119.87 3h23 h VAL 258 Ca 0.21 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.68 3h23 h VAL 258 Cb 0.95 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 3h23 h VAL 258 CO 1.09 0.25 0.00 0.50 0.02 0.00 0.00 177.57 179.44 3h23 h LYS 259 N -0.69 0.09 0.11 1.57 3.64 -1.90 -0.01 116.57 119.38 3h23 h LYS 259 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3h23 h LYS 259 Cb 0.53 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3h23 h LYS 259 CO 0.03 0.06 -0.05 0.93 -2.27 0.00 0.00 179.45 178.14 3h23 h GLU 260 N 0.09 -0.15 0.00 1.90 3.07 -1.88 -3.01 114.58 114.61 3h23 h GLU 260 Ca 0.15 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.92 3h23 h GLU 260 Cb 0.20 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3h23 h GLU 260 CO -0.25 -0.06 -0.48 0.52 -1.40 0.00 0.00 179.01 177.34 3h23 h MET 261 N -0.19 0.00 -0.37 2.33 2.86 -1.07 -2.26 114.93 116.23 3h23 h MET 261 Ca -0.02 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3h23 h MET 261 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3h23 h MET 261 CO 0.03 0.48 0.12 0.77 1.06 0.00 0.00 176.91 179.36 3h23 h SER 262 N 0.00 0.53 -0.37 1.22 0.02 -1.01 0.56 113.55 114.50 3h23 h SER 262 Ca -0.00 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3h23 h SER 262 Cb 0.93 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 3h23 h SER 262 CO 0.06 0.59 0.20 0.03 -1.14 0.00 0.00 176.83 176.58 3h23 h ARG 263 N 0.44 0.40 -0.82 3.45 3.08 -1.38 -2.19 114.38 117.36 3h23 h ARG 263 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3h23 h ARG 263 Cb 0.25 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3h23 h ARG 263 CO -0.00 0.26 0.51 0.52 -1.07 0.00 0.00 179.97 180.19 3h23 h MET 264 N 0.41 1.10 -0.54 0.04 2.86 -1.39 -2.47 114.93 114.94 3h23 h MET 264 Ca 0.15 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3h23 h MET 264 Cb 0.04 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 3h23 h MET 264 CO -0.09 0.76 0.35 0.00 1.06 0.00 0.00 176.91 178.98 3h23 h ALA 265 N 1.28 0.69 -0.10 6.32 0.00 -0.83 -2.19 119.26 124.44 3h23 h ALA 265 Ca 0.30 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3h23 h ALA 265 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3h23 h ALA 265 CO -0.06 0.10 -0.56 -0.22 0.00 0.00 0.00 179.25 178.51 3h23 h LYS 266 N 0.70 0.29 -0.00 0.00 3.64 -1.37 -0.42 116.57 119.41 3h23 h LYS 266 Ca 0.21 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3h23 h LYS 266 Cb -0.04 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3h23 h LYS 266 CO -0.06 0.78 -0.00 1.98 -2.27 0.00 0.00 179.45 179.87 3h23 h MET 267 N 0.22 0.00 -0.36 1.90 4.05 -1.34 -2.32 114.93 117.09 3h23 h MET 267 Ca 0.00 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 3h23 h MET 267 Cb 1.06 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.79 3h23 h MET 267 CO 0.09 0.44 -0.04 0.52 0.23 0.00 0.00 176.91 178.15 3h23 h MET 268 N -0.44 0.05 -0.69 0.39 2.86 -1.31 -1.38 114.93 114.42 3h23 h MET 268 Ca 0.00 -0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 3h23 h MET 268 Cb 0.44 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.99 3h23 h MET 268 CO 0.00 0.03 0.18 -0.44 1.06 0.00 0.00 176.91 177.75 3h23 h ASP 269 N 0.05 0.06 -0.75 1.22 3.45 -1.09 -0.98 116.42 118.38 3h23 h ASP 269 Ca 0.17 0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.73 3h23 h ASP 269 Cb 0.25 0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.15 3h23 h ASP 269 CO -0.33 0.01 0.34 0.00 -1.57 0.00 0.00 179.24 177.69 3h23 h ALA 270 N 1.55 0.97 -0.03 3.45 0.00 -0.73 0.19 119.26 124.66 3h23 h ALA 270 Ca 0.38 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.87 3h23 h ALA 270 Cb 0.61 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3h23 h ALA 270 CO -0.45 0.55 -0.99 0.52 0.00 0.00 0.00 179.25 178.87 3h23 h MET 271 N 1.06 0.73 0.00 0.00 2.86 -0.74 -3.22 114.93 115.62 3h23 h MET 271 Ca 0.25 -0.74 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3h23 h MET 271 Cb 0.15 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3h23 h MET 271 CO -0.03 1.32 0.00 -0.84 1.06 0.00 0.00 176.91 178.42 3h23 h ILE 272 N 0.43 0.00 0.00 -1.22 3.07 -1.17 -3.47 117.51 115.15 3h23 h ILE 272 Ca -0.12 -0.87 0.00 0.00 1.55 0.00 0.00 64.86 65.42 3h23 h ILE 272 Cb 1.64 1.87 0.00 0.00 -0.27 0.00 0.00 36.82 40.07 3h23 h ILE 272 CO 0.20 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.91 3h23 n GLY 273 N 0.84 1.52 3.61 0.16 0.00 -0.62 -5.04 105.19 105.66 3h23 n GLY 273 Ca 0.03 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3h23 n GLY 273 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h23 s LYS 274 N -1.62 3.86 0.00 1.61 2.47 -0.04 -5.03 119.74 120.99 3h23 s LYS 274 Ca 0.00 0.72 0.00 0.00 -1.56 0.00 0.00 55.97 55.13 3h23 s LYS 274 Cb 0.00 -3.82 0.00 0.00 -1.46 0.00 0.00 37.83 32.55 3h23 s LYS 274 CO 0.00 -1.10 0.00 0.41 0.16 0.00 0.00 175.35 174.82