#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h02 h GLU 6 N 0.00 -0.03 0.00 -0.67 4.57 -2.05 0.10 114.58 116.51 3h02 h GLU 6 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3h02 h GLU 6 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3h02 h GLU 6 CO 0.00 -0.02 0.00 2.41 -1.18 0.00 0.00 179.01 180.22 3h02 n THR 7 N -5.41 0.00 0.00 0.32 -1.04 -1.26 -0.54 114.28 106.34 3h02 n THR 7 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3h02 n THR 7 Cb 0.31 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 3h02 n THR 7 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3h02 n LEU 9 N -0.06 0.00 -1.45 -4.42 4.77 0.35 -1.20 117.00 114.98 3h02 n LEU 9 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3h02 n LEU 9 Cb 0.00 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.43 3h02 n LEU 9 CO 0.00 0.00 0.79 -1.22 -1.33 0.00 0.00 177.39 175.63 3h02 n TYR 10 N 0.00 1.25 -1.44 -1.77 4.01 0.29 -4.07 117.16 115.44 3h02 n TYR 10 Ca 0.00 -0.57 -0.34 0.00 -0.16 0.00 0.00 57.90 56.83 3h02 n TYR 10 Cb 0.00 -0.15 0.09 0.00 -0.31 0.00 0.00 39.34 38.97 3h02 n TYR 10 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h02 s ALA 11 N -1.52 2.13 0.69 -0.72 0.00 -0.34 -4.92 121.76 117.07 3h02 s ALA 11 Ca 0.49 0.84 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 3h02 s ALA 11 Cb 0.29 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 3h02 s ALA 11 CO 0.27 -1.85 0.97 -0.35 0.00 0.00 0.00 175.76 174.80 3h02 n PRO 12 N -2.74 0.63 -4.29 0.00 -0.04 -1.26 -4.99 135.00 122.30 3h02 n PRO 12 Ca 0.13 0.27 -0.35 0.00 -0.04 0.00 0.00 63.50 63.51 3h02 n PRO 12 Cb 0.50 -2.21 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 3h02 n PRO 12 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h02 s VAL 13 N -1.72 4.33 -0.41 0.52 0.11 -1.26 -5.08 120.40 116.89 3h02 s VAL 13 Ca 0.74 -0.22 -0.10 0.00 -2.93 0.00 0.00 61.98 59.48 3h02 s VAL 13 Cb -0.36 -2.87 0.07 0.00 -1.53 0.00 0.00 36.38 31.68 3h02 s VAL 13 CO 0.49 0.54 0.25 -0.70 -3.33 0.00 0.00 175.10 172.36 3h02 s GLU 14 N -0.28 2.65 0.14 1.54 2.12 -1.26 -5.08 118.70 118.53 3h02 s GLU 14 Ca 0.06 -1.40 -0.15 0.00 0.36 0.00 0.00 54.97 53.84 3h02 s GLU 14 Cb -0.12 -3.78 -0.07 0.00 0.26 0.00 0.00 34.13 30.42 3h02 s GLU 14 CO 0.02 -0.92 0.56 -1.58 -0.54 0.00 0.00 175.26 172.80 3h02 s TRP 15 N 1.45 3.62 -0.08 5.30 0.52 -1.26 -2.62 118.94 125.87 3h02 s TRP 15 Ca 0.03 1.09 0.02 0.00 0.02 0.00 0.00 56.10 57.26 3h02 s TRP 15 Cb -0.22 -2.39 0.01 0.00 -1.15 0.00 0.00 33.47 29.72 3h02 s TRP 15 CO 0.03 0.44 -0.15 -1.01 0.02 0.00 0.00 176.95 176.28 3h02 s HIS 16 N -1.44 1.73 0.17 -1.98 3.76 0.35 -4.95 115.29 112.93 3h02 s HIS 16 Ca 0.37 -0.69 -0.30 0.00 -0.15 0.00 0.00 55.06 54.29 3h02 s HIS 16 Cb -0.15 -1.24 -0.07 0.00 1.11 0.00 0.00 32.58 32.22 3h02 s HIS 16 CO 0.19 -0.34 1.04 0.34 -0.85 0.00 0.00 174.74 175.12 3h02 s ASP 17 N 0.69 7.38 -0.27 1.40 2.15 -1.26 -0.42 116.67 126.33 3h02 s ASP 17 Ca -0.14 1.99 0.19 0.00 0.43 0.00 0.00 52.55 55.02 3h02 s ASP 17 Cb -0.16 -2.60 0.49 0.00 -0.30 0.00 0.00 42.92 40.35 3h02 s ASP 17 CO 0.03 -0.13 1.12 0.00 -0.17 0.00 0.00 175.17 176.03 3h02 n SER 19 N -0.61 0.93 -4.66 0.00 7.64 -1.02 -4.49 113.62 111.42 3h02 n SER 19 Ca 0.17 -0.83 -0.47 0.00 1.01 0.00 0.00 58.87 58.74 3h02 n SER 19 Cb 0.84 0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 64.10 3h02 n SER 19 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3h02 n GLU 20 N -0.70 2.00 0.00 1.43 4.71 -1.26 -1.06 120.64 125.76 3h02 n GLU 20 Ca 0.12 0.72 0.00 0.00 -0.01 0.00 0.00 57.16 58.00 3h02 n GLU 20 Cb 0.34 -2.49 0.00 0.00 -1.01 0.00 0.00 31.44 28.28 3h02 n GLU 20 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3h02 n GLY 21 N 3.49 1.68 3.83 0.62 0.00 -1.26 -5.05 105.19 108.49 3h02 n GLY 21 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3h02 n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h02 s TYR 22 N -2.33 3.65 -0.20 1.61 2.02 -0.22 -5.01 117.35 116.86 3h02 s TYR 22 Ca 0.00 0.82 0.03 0.00 -0.37 0.00 0.00 57.07 57.55 3h02 s TYR 22 Cb 0.00 -2.22 -0.14 0.00 -0.40 0.00 0.00 41.96 39.20 3h02 s TYR 22 CO 0.00 0.59 -0.16 2.41 -1.57 0.00 0.00 175.55 176.82 3h02 n THR 23 N 2.19 1.19 0.69 -0.71 -1.04 -1.26 -4.75 114.28 110.59 3h02 n THR 23 Ca -0.15 -0.48 0.10 0.00 -2.04 0.00 0.00 64.05 61.48 3h02 n THR 23 Cb 0.53 -1.17 -0.12 0.00 -1.82 0.00 0.00 70.33 67.74 3h02 n THR 23 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3h02 n ASP 24 N -3.06 0.78 -4.24 8.00 9.92 -1.26 -4.97 116.55 121.72 3h02 n ASP 24 Ca -0.36 -0.72 -0.14 0.00 -0.53 0.00 0.00 54.79 53.05 3h02 n ASP 24 Cb 0.91 1.24 -0.10 0.00 -0.64 0.00 0.00 41.12 42.53 3h02 n ASP 24 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3h02 s ILE 25 N -3.01 0.92 0.17 0.53 -4.36 -1.26 0.44 121.20 114.62 3h02 s ILE 25 Ca 0.04 -2.01 0.06 0.00 -0.26 0.00 0.00 60.65 58.48 3h02 s ILE 25 Cb 0.14 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 3h02 s ILE 25 CO 0.82 -0.65 0.08 -0.13 0.24 0.00 0.00 174.94 175.31 3h02 s ARG 26 N -3.83 2.71 -0.09 0.37 0.52 0.10 -4.81 118.95 113.92 3h02 s ARG 26 Ca 0.19 -0.96 -0.04 0.00 -0.52 0.00 0.00 55.73 54.41 3h02 s ARG 26 Cb 0.04 -2.54 0.05 0.00 0.52 0.00 0.00 34.95 33.03 3h02 s ARG 26 CO 0.01 0.47 0.18 -0.47 0.02 0.00 0.00 175.30 175.52 3h02 s TYR 27 N -1.74 -0.23 0.09 -0.53 5.04 -1.26 -1.10 117.35 117.63 3h02 s TYR 27 Ca 0.30 0.67 0.03 0.00 -2.44 0.00 0.00 57.07 55.63 3h02 s TYR 27 Cb -0.10 -0.22 -0.04 0.00 0.35 0.00 0.00 41.96 41.95 3h02 s TYR 27 CO 0.21 -0.29 -0.08 -1.21 -1.34 0.00 0.00 175.55 172.84 3h02 s GLU 28 N 2.32 0.80 -0.00 4.97 2.02 -0.79 0.91 118.70 128.92 3h02 s GLU 28 Ca 0.03 -1.17 0.03 0.00 0.02 0.00 0.00 54.97 53.88 3h02 s GLU 28 Cb -0.12 -0.37 -0.01 0.00 0.10 0.00 0.00 34.13 33.73 3h02 s GLU 28 CO -0.06 0.04 -0.10 0.15 0.02 0.00 0.00 175.26 175.30 3h02 s LYS 29 N -3.02 0.80 0.31 1.61 1.02 0.43 -0.63 119.74 120.26 3h02 s LYS 29 Ca 0.06 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.69 3h02 s LYS 29 Cb -0.01 -0.77 -0.03 0.00 -0.52 0.00 0.00 37.83 36.50 3h02 s LYS 29 CO -0.02 0.21 0.48 -1.54 -0.92 0.00 0.00 175.35 173.57 3h02 s SER 30 N -0.30 6.31 0.58 2.83 1.04 0.75 -0.49 113.70 124.40 3h02 s SER 30 Ca 0.03 0.33 0.33 0.00 0.48 0.00 0.00 55.95 57.13 3h02 s SER 30 Cb -0.04 -1.98 1.77 0.00 0.10 0.00 0.00 66.02 65.87 3h02 s SER 30 CO -0.00 -0.21 2.17 0.71 0.98 0.00 0.00 173.24 176.89 3h02 h THR 31 N 0.91 0.33 -0.64 2.02 1.35 -1.83 -2.88 112.91 112.18 3h02 h THR 31 Ca -0.50 -0.30 -0.25 0.00 -0.55 0.00 0.00 66.41 64.81 3h02 h THR 31 Cb 1.22 1.22 -0.15 0.00 -1.73 0.00 0.00 68.15 68.71 3h02 h THR 31 CO 0.61 0.05 0.24 -0.90 -0.25 0.00 0.00 175.52 175.28 3h02 n ASP 32 N -3.45 3.86 0.00 5.36 5.75 -1.26 -4.95 116.55 121.86 3h02 n ASP 32 Ca -0.02 -3.43 0.00 0.00 -0.01 0.00 0.00 54.79 51.33 3h02 n ASP 32 Cb 0.18 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 3h02 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h02 n GLY 33 N -0.69 0.81 3.79 6.12 0.00 -1.09 -4.93 105.19 109.21 3h02 n GLY 33 Ca 0.41 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 3h02 n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h02 s ILE 34 N -2.00 5.39 -0.07 -0.61 1.01 -1.26 -0.80 121.20 122.87 3h02 s ILE 34 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.99 3h02 s ILE 34 Cb 0.00 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3h02 s ILE 34 CO 0.00 0.50 -0.11 0.00 0.00 0.00 0.00 174.94 175.34 3h02 s ALA 35 N -0.21 2.81 -0.12 9.38 0.00 -0.29 -0.18 121.76 133.15 3h02 s ALA 35 Ca 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.17 3h02 s ALA 35 Cb -0.12 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.90 3h02 s ALA 35 CO 0.02 0.52 -0.11 0.21 0.00 0.00 0.00 175.76 176.41 3h02 s LYS 36 N -0.63 1.88 -0.29 0.00 2.20 0.20 -0.11 119.74 122.99 3h02 s LYS 36 Ca 0.09 -0.40 -0.09 0.00 -0.36 0.00 0.00 55.97 55.22 3h02 s LYS 36 Cb -0.11 -1.80 -0.01 0.00 -1.51 0.00 0.00 37.83 34.40 3h02 s LYS 36 CO 0.01 -0.22 0.12 0.42 -0.36 0.00 0.00 175.35 175.32 3h02 s ILE 37 N 1.51 4.47 -0.20 5.43 1.01 0.54 -1.88 121.20 132.08 3h02 s ILE 37 Ca 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 3h02 s ILE 37 Cb -0.13 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.13 3h02 s ILE 37 CO -0.08 0.17 -0.12 -0.89 0.00 0.00 0.00 174.94 174.02 3h02 s THR 38 N 1.61 2.72 0.03 2.92 2.01 -0.26 -1.47 115.64 123.21 3h02 s THR 38 Ca 0.05 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 3h02 s THR 38 Cb -0.16 -2.20 -0.07 0.00 0.01 0.00 0.00 72.50 70.08 3h02 s THR 38 CO 0.05 0.48 1.55 -0.63 -0.69 0.00 0.00 174.62 175.38 3h02 s ILE 39 N 1.38 3.34 -0.69 1.82 1.01 -0.13 0.02 121.20 127.95 3h02 s ILE 39 Ca 0.05 0.75 0.03 0.00 0.00 0.00 0.00 60.65 61.48 3h02 s ILE 39 Cb -0.14 -3.48 0.34 0.00 0.01 0.00 0.00 42.46 39.19 3h02 s ILE 39 CO -0.08 -0.01 1.18 -3.20 0.00 0.00 0.00 174.94 172.84 3h02 n ASN 40 N 5.58 5.25 -2.68 3.58 5.15 0.17 -0.40 115.26 131.90 3h02 n ASN 40 Ca 0.15 -3.69 -0.16 0.00 -0.60 0.00 0.00 54.58 50.27 3h02 n ASN 40 Cb 0.42 -0.71 0.01 0.00 -0.53 0.00 0.00 39.78 38.97 3h02 n ASN 40 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3h02 n ARG 41 N -0.21 1.92 0.25 1.20 1.74 -1.26 -4.76 116.66 115.54 3h02 n ARG 41 Ca 0.35 -3.72 0.17 0.00 -0.77 0.00 0.00 57.85 53.88 3h02 n ARG 41 Cb 0.36 -1.64 0.89 0.00 -1.02 0.00 0.00 32.46 31.05 3h02 n ARG 41 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3h02 h PRO 42 N 2.87 0.00 0.00 5.56 0.13 -1.85 0.33 132.00 139.04 3h02 h PRO 42 Ca 0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3h02 h PRO 42 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 3h02 h PRO 42 CO 0.62 0.00 -0.05 -0.56 -0.23 0.00 0.00 178.00 177.78 3h02 h GLN 43 N 0.00 0.00 -0.81 0.86 -0.00 -1.96 -2.36 115.11 110.84 3h02 h GLN 43 Ca 0.04 0.00 -0.55 0.00 -0.00 0.00 0.00 58.65 58.14 3h02 h GLN 43 Cb 0.27 0.00 -0.43 0.00 -0.00 0.00 0.00 27.48 27.33 3h02 h GLN 43 CO -0.00 0.05 -0.80 1.33 -0.00 0.00 0.00 178.83 179.40 3h02 n VAL 44 N -3.35 2.52 -3.23 1.86 0.24 -0.00 -4.92 118.33 111.45 3h02 n VAL 44 Ca -0.02 -4.27 -0.21 0.00 -2.04 0.00 0.00 64.34 57.81 3h02 n VAL 44 Cb 0.19 -1.15 -0.01 0.00 -1.47 0.00 0.00 33.84 31.40 3h02 n VAL 44 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3h02 n ARG 45 N -0.69 -3.06 -2.99 7.34 1.74 -0.89 -1.44 116.66 116.67 3h02 n ARG 45 Ca 0.44 0.43 -0.22 0.00 -0.77 0.00 0.00 57.85 57.72 3h02 n ARG 45 Cb 0.94 -5.10 0.03 0.00 -1.02 0.00 0.00 32.46 27.32 3h02 n ARG 45 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3h02 n ASN 46 N -2.17 -5.98 -4.77 0.55 3.02 -0.55 -1.12 115.26 104.24 3h02 n ASN 46 Ca -0.02 -0.27 -0.39 0.00 -0.03 0.00 0.00 54.58 53.87 3h02 n ASN 46 Cb 0.54 -4.85 -0.01 0.00 -0.61 0.00 0.00 39.78 34.86 3h02 n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h02 s ALA 47 N -3.15 3.17 0.05 5.41 0.00 -0.52 -3.97 121.76 122.74 3h02 s ALA 47 Ca 0.29 1.13 -0.07 0.00 0.00 0.00 0.00 51.96 53.31 3h02 s ALA 47 Cb -0.13 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 3h02 s ALA 47 CO 0.35 -0.76 0.32 -0.59 0.00 0.00 0.00 175.76 175.08 3h02 s PHE 48 N -1.33 3.56 0.49 0.00 -0.12 -0.32 -4.79 117.98 115.46 3h02 s PHE 48 Ca 0.58 0.62 0.03 0.00 -0.05 0.00 0.00 56.93 58.11 3h02 s PHE 48 Cb -0.35 -2.03 -0.02 0.00 -0.63 0.00 0.00 43.02 39.99 3h02 s PHE 48 CO 0.44 0.56 0.06 -0.98 -0.05 0.00 0.00 175.22 175.25 3h02 s ARG 49 N -1.95 2.16 0.32 1.99 1.70 -1.26 -0.37 118.95 121.54 3h02 s ARG 49 Ca 0.31 -2.27 0.05 0.00 -0.47 0.00 0.00 55.73 53.35 3h02 s ARG 49 Cb -0.13 -1.64 0.68 0.00 -0.57 0.00 0.00 34.95 33.29 3h02 s ARG 49 CO 0.18 -0.31 1.87 -1.35 -1.08 0.00 0.00 175.30 174.61 3h02 h PRO 50 N 1.37 0.82 -0.58 3.89 0.11 -1.96 -0.48 132.00 135.18 3h02 h PRO 50 Ca -0.43 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 3h02 h PRO 50 Cb 1.30 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3h02 h PRO 50 CO 0.74 0.55 -0.04 1.25 -0.21 0.00 0.00 178.00 180.28 3h02 h LEU 51 N 0.85 1.02 -0.78 2.35 5.85 -1.99 -1.30 115.31 121.31 3h02 h LEU 51 Ca 0.44 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3h02 h LEU 51 Cb 0.52 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3h02 h LEU 51 CO -0.21 1.09 0.50 0.74 -0.34 0.00 0.00 178.44 180.23 3h02 h THR 52 N 0.94 1.13 -0.29 1.05 2.02 -1.49 -0.55 112.91 115.73 3h02 h THR 52 Ca 0.16 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 3h02 h THR 52 Cb 0.59 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3h02 h THR 52 CO 0.04 0.18 -0.19 0.58 0.37 0.00 0.00 175.52 176.49 3h02 h VAL 53 N 0.98 1.30 -0.92 3.16 2.07 -1.15 -2.61 116.25 119.08 3h02 h VAL 53 Ca 0.30 -1.32 0.05 0.00 0.82 0.00 0.00 66.70 66.55 3h02 h VAL 53 Cb -0.02 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3h02 h VAL 53 CO -0.10 0.42 0.60 0.11 0.02 0.00 0.00 177.57 178.62 3h02 h LYS 54 N 0.39 1.08 -1.34 1.57 1.57 -0.86 -1.20 116.57 117.78 3h02 h LYS 54 Ca 0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3h02 h LYS 54 Cb 0.73 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3h02 h LYS 54 CO 0.05 0.72 0.00 0.39 -0.57 0.00 0.00 179.45 180.04 3h02 n GLU 55 N -4.46 0.41 0.00 3.15 1.02 -0.25 -2.25 120.64 118.26 3h02 n GLU 55 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3h02 n GLU 55 Cb 0.14 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3h02 n GLU 55 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3h02 n ILE 57 N 0.69 0.00 -0.11 -3.67 5.41 -0.46 -1.20 119.36 120.03 3h02 n ILE 57 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 3h02 n ILE 57 Cb 0.18 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.08 3h02 n ILE 57 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3h02 h GLN 58 N 0.00 0.68 -0.63 0.38 4.15 -1.71 -0.30 115.11 117.69 3h02 h GLN 58 Ca 0.00 -0.31 -0.09 0.00 0.77 0.00 0.00 58.65 59.03 3h02 h GLN 58 Cb 0.00 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3h02 h GLN 58 CO 0.00 0.90 0.05 0.00 -1.93 0.00 0.00 178.83 177.85 3h02 h ALA 59 N 0.76 0.90 -0.60 3.38 0.00 -1.44 -1.26 119.26 121.00 3h02 h ALA 59 Ca 0.07 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3h02 h ALA 59 Cb 0.71 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3h02 h ALA 59 CO 0.05 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 181.21 3h02 h LEU 60 N 0.98 1.04 -0.65 0.00 5.85 -1.78 -0.27 115.31 120.48 3h02 h LEU 60 Ca 0.19 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3h02 h LEU 60 Cb 0.49 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3h02 h LEU 60 CO 0.02 1.09 0.24 0.00 -0.34 0.00 0.00 178.44 179.45 3h02 h ALA 61 N 1.01 0.85 -0.27 1.25 0.00 -0.88 0.21 119.26 121.43 3h02 h ALA 61 Ca 0.17 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3h02 h ALA 61 Cb 0.56 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3h02 h ALA 61 CO 0.03 0.49 0.13 0.22 0.00 0.00 0.00 179.25 180.13 3h02 h ASP 62 N 0.93 0.20 -0.78 0.00 3.58 -0.79 -1.85 116.42 117.73 3h02 h ASP 62 Ca 0.22 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.64 3h02 h ASP 62 Cb 0.24 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 3h02 h ASP 62 CO -0.01 0.15 0.34 0.00 -2.88 0.00 0.00 179.24 176.84 3h02 h ALA 63 N 1.13 1.12 -0.43 -0.78 0.00 -0.75 -1.22 119.26 118.33 3h02 h ALA 63 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h02 h ALA 63 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3h02 h ALA 63 CO -0.07 0.64 0.27 -0.09 0.00 0.00 0.00 179.25 180.00 3h02 h ARG 64 N 1.13 0.58 -0.01 0.00 2.43 -0.64 -2.84 114.38 115.04 3h02 h ARG 64 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3h02 h ARG 64 Cb 0.17 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3h02 h ARG 64 CO -0.03 0.41 -0.06 0.66 -1.51 0.00 0.00 179.97 179.45 3h02 n TYR 65 N -4.76 0.00 -2.81 2.20 4.02 -0.72 -4.73 117.16 110.36 3h02 n TYR 65 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 3h02 n TYR 65 Cb 0.04 -0.08 -0.04 0.00 -0.02 0.00 0.00 39.34 39.24 3h02 n TYR 65 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3h02 s ASP 66 N -2.21 6.31 0.31 7.72 -1.08 -0.49 -4.88 116.67 122.35 3h02 s ASP 66 Ca 0.36 -0.43 0.19 0.00 -0.52 0.00 0.00 52.55 52.15 3h02 s ASP 66 Cb 0.21 -2.45 1.02 0.00 -1.46 0.00 0.00 42.92 40.24 3h02 s ASP 66 CO 0.41 -1.31 1.55 0.47 0.52 0.00 0.00 175.17 176.81 3h02 n ASP 67 N 7.66 0.49 -0.41 -0.34 8.00 -1.26 -0.74 116.55 129.94 3h02 n ASP 67 Ca 0.01 0.70 0.13 0.00 0.71 0.00 0.00 54.79 56.35 3h02 n ASP 67 Cb 0.47 -0.75 0.32 0.00 -0.02 0.00 0.00 41.12 41.14 3h02 n ASP 67 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3h02 n ASN 68 N -2.18 1.50 -4.66 -2.24 5.03 -1.26 -4.84 115.26 106.61 3h02 n ASN 68 Ca -0.01 -1.25 -0.35 0.00 0.87 0.00 0.00 54.58 53.84 3h02 n ASN 68 Cb 0.10 0.16 -0.09 0.00 -1.02 0.00 0.00 39.78 38.92 3h02 n ASN 68 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3h02 s VAL 69 N -2.33 4.97 -0.02 2.41 1.01 0.08 -4.16 120.40 122.35 3h02 s VAL 69 Ca 0.27 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.34 3h02 s VAL 69 Cb 0.19 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 3h02 s VAL 69 CO 0.47 0.45 0.13 0.61 0.00 0.00 0.00 175.10 176.76 3h02 n GLY 70 N 3.59 -0.22 3.12 4.51 0.00 0.02 -4.89 105.19 111.33 3h02 n GLY 70 Ca -0.16 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 3h02 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h02 s VAL 71 N -2.34 0.09 -0.05 1.61 1.01 -1.14 -4.17 120.40 115.41 3h02 s VAL 71 Ca -0.02 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3h02 s VAL 71 Cb 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.88 3h02 s VAL 71 CO 0.24 -0.41 -0.15 -0.63 0.00 0.00 0.00 175.10 174.15 3h02 s ILE 72 N -1.62 1.31 -0.14 2.22 1.01 -0.61 -1.14 121.20 122.22 3h02 s ILE 72 Ca -0.13 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 3h02 s ILE 72 Cb -0.06 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 3h02 s ILE 72 CO 0.01 0.39 0.04 -0.63 0.00 0.00 0.00 174.94 174.75 3h02 s ILE 73 N 0.29 4.64 -0.14 2.92 1.01 0.84 -0.11 121.20 130.65 3h02 s ILE 73 Ca -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 3h02 s ILE 73 Cb -0.13 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 3h02 s ILE 73 CO 0.03 0.52 -0.10 -0.22 0.00 0.00 0.00 174.94 175.17 3h02 s LEU 74 N -0.15 2.87 0.36 2.97 2.96 0.38 -0.34 118.68 127.72 3h02 s LEU 74 Ca 0.06 -0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 3h02 s LEU 74 Cb -0.12 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 44.94 3h02 s LEU 74 CO 0.01 0.16 0.67 0.28 -1.32 0.00 0.00 176.35 176.15 3h02 s THR 75 N 0.40 0.00 0.13 3.68 -1.32 -0.54 -4.36 115.64 113.63 3h02 s THR 75 Ca -0.08 -1.23 0.11 0.00 -1.21 0.00 0.00 61.69 59.28 3h02 s THR 75 Cb -0.15 -2.75 -0.04 0.00 -1.51 0.00 0.00 72.50 68.05 3h02 s THR 75 CO 0.04 0.00 -0.26 -0.83 -2.21 0.00 0.00 174.62 171.36 3h02 s GLY 76 N -3.13 1.59 0.21 6.08 0.00 -1.25 -0.96 107.32 109.87 3h02 s GLY 76 Ca 0.21 -1.46 -0.31 0.00 0.00 0.00 0.00 44.72 43.16 3h02 s GLY 76 CO 0.15 -1.44 1.52 1.85 0.00 0.00 0.00 173.10 175.18 3h02 s GLU 77 N -2.06 4.23 0.30 2.90 2.56 0.46 -4.80 118.70 122.29 3h02 s GLU 77 Ca 0.14 2.35 0.00 0.00 0.00 0.00 0.00 54.97 57.46 3h02 s GLU 77 Cb -0.10 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 32.90 3h02 s GLU 77 CO 0.06 -0.53 0.00 0.41 -0.56 0.00 0.00 175.26 174.64 3h02 n GLY 78 N 3.04 -2.53 0.56 -1.50 0.00 -1.26 -4.59 105.19 98.91 3h02 n GLY 78 Ca 0.11 -1.71 0.08 0.00 0.00 0.00 0.00 46.02 44.49 3h02 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h02 n ASP 79 N -0.02 2.15 0.01 1.61 8.00 -1.26 -4.60 116.55 122.43 3h02 n ASP 79 Ca 0.00 -1.57 0.03 0.00 0.71 0.00 0.00 54.79 53.95 3h02 n ASP 79 Cb 0.00 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 3h02 n ASP 79 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3h02 n LYS 80 N 0.69 0.64 -3.69 -1.24 5.02 -1.26 -3.41 118.16 114.91 3h02 n LYS 80 Ca 0.08 0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 3h02 n LYS 80 Cb 0.37 -1.69 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 3h02 n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h02 s ALA 81 N -3.06 -1.33 -0.14 7.82 0.00 -1.16 -2.45 121.76 121.44 3h02 s ALA 81 Ca -0.05 1.47 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 3h02 s ALA 81 Cb 0.10 -0.82 -0.08 0.00 0.00 0.00 0.00 23.12 22.32 3h02 s ALA 81 CO 0.84 -0.26 0.09 0.35 0.00 0.00 0.00 175.76 176.78 3h02 h PHE 82 N 5.16 0.00 -0.54 0.00 3.57 0.05 -3.39 116.94 121.79 3h02 h PHE 82 Ca -0.28 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.44 3h02 h PHE 82 Cb 1.17 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 39.68 3h02 h PHE 82 CO 0.40 0.39 0.22 0.00 -2.23 0.00 0.00 178.31 177.10 3h02 n ALA 84 N 5.15 2.63 0.00 0.00 0.00 -0.28 -1.79 120.51 126.23 3h02 n ALA 84 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3h02 n ALA 84 Cb 0.54 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3h02 n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h02 n GLY 85 N 0.92 -1.14 3.68 0.00 0.00 -1.10 -4.55 105.19 103.01 3h02 n GLY 85 Ca 0.18 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 3h02 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h02 n GLY 86 N 0.00 0.30 3.98 -0.02 0.00 -1.26 -1.17 105.19 107.01 3h02 n GLY 86 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3h02 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h02 s ASP 87 N -0.96 5.47 -0.39 1.61 3.68 0.50 -4.74 116.67 121.84 3h02 s ASP 87 Ca 0.71 -0.03 -0.13 0.00 2.13 0.00 0.00 52.55 55.23 3h02 s ASP 87 Cb -0.44 -0.98 0.02 0.00 -1.45 0.00 0.00 42.92 40.07 3h02 s ASP 87 CO 0.50 -0.97 0.25 -1.58 0.13 0.00 0.00 175.17 173.50 3h02 s GLN 88 N -4.64 2.95 -0.31 4.34 2.00 -1.26 -4.95 119.66 117.80 3h02 s GLN 88 Ca 0.55 -1.01 0.07 0.00 -2.00 0.00 0.00 55.36 52.97 3h02 s GLN 88 Cb -0.10 -3.85 0.46 0.00 0.80 0.00 0.00 33.01 30.32 3h02 s GLN 88 CO 0.37 -0.70 1.33 -2.39 -0.50 0.00 0.00 175.29 173.41 3h02 n HIS 104 N 5.08 1.91 -3.28 1.67 1.44 -1.26 -5.20 115.22 115.58 3h02 n HIS 104 Ca -0.12 -2.04 -0.38 0.00 -2.01 0.00 0.00 57.72 53.18 3h02 n HIS 104 Cb 0.47 -0.46 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 3h02 n HIS 104 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3h02 s HIS 105 N -3.48 3.75 -0.47 -1.40 5.04 -1.26 -5.02 115.29 112.45 3h02 s HIS 105 Ca 0.48 1.24 0.06 0.00 -1.54 0.00 0.00 55.06 55.30 3h02 s HIS 105 Cb 0.41 -2.48 0.40 0.00 0.04 0.00 0.00 32.58 30.95 3h02 s HIS 105 CO 0.00 0.53 1.05 1.28 -2.34 0.00 0.00 174.74 175.27 3h02 n LEU 106 N 1.43 4.37 0.10 8.88 4.77 -1.26 -4.73 117.00 130.56 3h02 n LEU 106 Ca -0.09 -5.24 0.12 0.00 -0.03 0.00 0.00 56.01 50.77 3h02 n LEU 106 Cb 0.51 -0.40 0.45 0.00 -2.33 0.00 0.00 43.42 41.65 3h02 n LEU 106 CO 0.42 2.23 0.87 -3.20 -1.33 0.00 0.00 177.39 176.37 3h02 n ASN 107 N -0.38 0.61 0.25 -1.43 5.15 -1.26 -2.93 115.26 115.27 3h02 n ASN 107 Ca 0.35 0.60 0.08 0.00 -0.60 0.00 0.00 54.58 55.00 3h02 n ASN 107 Cb 0.60 -0.75 0.62 0.00 -0.53 0.00 0.00 39.78 39.72 3h02 n ASN 107 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3h02 h VAL 108 N 0.00 1.02 -0.50 3.44 3.04 -1.96 -1.84 116.25 119.45 3h02 h VAL 108 Ca 0.00 -0.12 -0.07 0.00 -1.01 0.00 0.00 66.70 65.51 3h02 h VAL 108 Cb 0.52 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 3h02 h VAL 108 CO 0.00 0.03 0.04 -0.07 -1.01 0.00 0.00 177.57 176.57 3h02 h LEU 109 N 0.00 0.76 -0.64 3.16 3.38 -1.94 0.21 115.31 120.24 3h02 h LEU 109 Ca -0.00 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3h02 h LEU 109 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3h02 h LEU 109 CO 0.00 0.80 0.21 0.44 0.09 0.00 0.00 178.44 179.98 3h02 h ASP 110 N 0.76 0.92 -0.60 -0.43 5.19 -1.55 -1.89 116.42 118.82 3h02 h ASP 110 Ca 0.15 -0.20 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 3h02 h ASP 110 Cb 0.40 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 3h02 h ASP 110 CO 0.01 0.88 0.19 0.15 -3.12 0.00 0.00 179.24 177.35 3h02 h PHE 111 N 0.92 0.97 -0.46 4.55 3.57 -1.17 -0.50 116.94 124.83 3h02 h PHE 111 Ca 0.21 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.67 3h02 h PHE 111 Cb 0.28 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 3h02 h PHE 111 CO 0.02 0.80 0.18 1.96 -2.23 0.00 0.00 178.31 179.03 3h02 h GLN 112 N 0.85 0.35 -0.18 1.11 4.20 -0.36 -1.32 115.11 119.76 3h02 h GLN 112 Ca 0.19 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 3h02 h GLN 112 Cb 0.28 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3h02 h GLN 112 CO -0.01 0.23 -0.20 0.00 -0.67 0.00 0.00 178.83 178.19 3h02 h ARG 113 N 0.36 0.30 -0.34 1.46 3.08 -0.96 -2.11 114.38 116.17 3h02 h ARG 113 Ca 0.21 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 3h02 h ARG 113 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3h02 h ARG 113 CO -0.20 0.49 -0.28 0.37 -1.07 0.00 0.00 179.97 179.28 3h02 h GLN 114 N 0.28 0.70 -0.46 0.04 4.15 -0.36 -1.01 115.11 118.46 3h02 h GLN 114 Ca 0.05 -0.30 -0.08 0.00 0.77 0.00 0.00 58.65 59.09 3h02 h GLN 114 Cb 0.51 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 3h02 h GLN 114 CO 0.03 0.90 -0.02 0.82 -1.93 0.00 0.00 178.83 178.63 3h02 h ILE 115 N 0.60 1.26 0.01 2.39 2.04 -0.93 -1.98 117.51 120.91 3h02 h ILE 115 Ca 0.07 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.85 3h02 h ILE 115 Cb 0.79 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3h02 h ILE 115 CO 0.06 0.38 -0.05 -0.09 0.00 0.00 0.00 178.15 178.45 3h02 h ARG 116 N 0.67 -0.09 -0.07 2.37 9.65 -1.17 -2.95 114.38 122.79 3h02 h ARG 116 Ca 0.13 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3h02 h ARG 116 Cb 0.53 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3h02 h ARG 116 CO 0.03 -0.06 0.00 0.25 2.80 0.00 0.00 179.97 182.99 3h02 n THR 117 N -5.16 0.08 -1.93 0.20 -2.24 -0.40 -4.87 114.28 99.96 3h02 n THR 117 Ca -0.06 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 3h02 n THR 117 Cb 0.09 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 3h02 n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h02 n PRO 119 N 5.78 0.81 -4.59 0.00 -0.04 -1.26 -4.71 135.00 130.97 3h02 n PRO 119 Ca 0.16 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.32 3h02 n PRO 119 Cb 0.41 -1.14 -0.13 0.00 -0.04 0.00 0.00 33.50 32.60 3h02 n PRO 119 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3h02 s LYS 120 N -2.00 1.91 0.34 0.54 1.02 -1.26 -4.00 119.74 116.29 3h02 s LYS 120 Ca 0.11 -1.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.74 3h02 s LYS 120 Cb 0.05 -2.11 -0.11 0.00 -0.52 0.00 0.00 37.83 35.14 3h02 s LYS 120 CO 0.09 0.51 1.47 -2.14 -0.92 0.00 0.00 175.35 174.36 3h02 s PRO 121 N -1.62 4.17 -0.13 -1.68 0.02 -1.26 -4.85 135.00 129.65 3h02 s PRO 121 Ca 0.15 2.49 0.02 0.00 0.02 0.00 0.00 61.00 63.68 3h02 s PRO 121 Cb -0.10 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.41 3h02 s PRO 121 CO 0.06 -0.48 -0.21 0.08 -0.33 0.00 0.00 177.00 176.13 3h02 s VAL 122 N -0.85 2.25 -0.15 3.83 1.01 -1.26 -1.57 120.40 123.67 3h02 s VAL 122 Ca 0.54 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 3h02 s VAL 122 Cb -0.45 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 3h02 s VAL 122 CO 0.57 0.54 -0.13 -0.69 0.00 0.00 0.00 175.10 175.39 3h02 s VAL 123 N 0.65 2.91 0.00 2.92 1.01 0.84 -0.23 120.40 128.51 3h02 s VAL 123 Ca -0.10 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3h02 s VAL 123 Cb -0.16 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3h02 s VAL 123 CO 0.02 0.51 0.00 0.00 0.00 0.00 0.00 175.10 175.63 3h02 n ALA 124 N 3.87 0.00 0.00 5.51 0.00 0.12 -0.47 120.51 129.54 3h02 n ALA 124 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3h02 n ALA 124 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3h02 n ALA 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h02 n VAL 126 N -1.17 0.00 -4.34 0.00 0.31 -0.24 -0.98 118.33 111.91 3h02 n VAL 126 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 3h02 n VAL 126 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 3h02 n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h02 s ALA 127 N 0.00 2.88 0.00 3.52 0.00 -1.26 -1.03 121.76 125.88 3h02 s ALA 127 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3h02 s ALA 127 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 3h02 s ALA 127 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3h02 n GLY 128 N 3.89 1.48 3.71 0.00 0.00 -1.22 -2.18 105.19 110.88 3h02 n GLY 128 Ca -0.18 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3h02 n GLY 128 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h02 s TYR 129 N 0.00 3.48 -0.39 1.61 1.51 -1.03 -0.63 117.35 121.90 3h02 s TYR 129 Ca 0.00 1.38 0.01 0.00 -1.01 0.00 0.00 57.07 57.45 3h02 s TYR 129 Cb 0.00 -3.36 0.13 0.00 -0.11 0.00 0.00 41.96 38.61 3h02 s TYR 129 CO 0.00 -1.04 0.19 0.45 -1.11 0.00 0.00 175.55 174.04 3h02 s SER 130 N 1.00 3.69 0.07 2.29 0.15 0.00 -0.03 113.70 120.86 3h02 s SER 130 Ca 0.57 -2.29 0.05 0.00 0.70 0.00 0.00 55.95 54.99 3h02 s SER 130 Cb -0.28 -0.92 -0.03 0.00 -1.71 0.00 0.00 66.02 63.09 3h02 s SER 130 CO 0.29 -0.32 -0.14 -0.63 1.20 0.00 0.00 173.24 173.65 3h02 s ILE 131 N 0.81 1.08 0.00 6.45 1.09 -0.74 -2.71 121.20 127.18 3h02 s ILE 131 Ca 0.15 -1.26 0.00 0.00 -1.10 0.00 0.00 60.65 58.44 3h02 s ILE 131 Cb -0.22 -1.04 0.00 0.00 -1.06 0.00 0.00 42.46 40.14 3h02 s ILE 131 CO -0.07 -0.21 0.00 0.61 -0.10 0.00 0.00 174.94 175.17 3h02 n GLY 132 N 1.35 3.75 0.25 6.18 0.00 -0.62 -0.89 105.19 115.21 3h02 n GLY 132 Ca -0.21 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 45.85 3h02 n GLY 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h02 h GLY 133 N 0.00 0.00 2.00 -0.02 0.00 -1.91 0.11 103.07 103.25 3h02 h GLY 133 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3h02 h GLY 133 CO 0.00 0.00 -0.24 -1.33 0.00 0.00 0.00 176.54 174.97 3h02 h GLY 134 N 0.16 0.00 1.08 4.60 0.00 -1.17 -1.59 103.07 106.15 3h02 h GLY 134 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.05 3h02 h GLY 134 CO 0.01 0.00 -1.17 0.84 0.00 0.00 0.00 176.54 176.21 3h02 h HIS 135 N 0.00 0.87 -0.87 5.60 2.76 -0.68 -3.07 115.15 119.76 3h02 h HIS 135 Ca -0.00 -0.59 0.01 0.00 -2.20 0.00 0.00 60.37 57.58 3h02 h HIS 135 Cb 0.69 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.56 3h02 h HIS 135 CO 0.00 1.44 0.57 0.28 -1.30 0.00 0.00 177.93 178.92 3h02 h VAL 136 N 0.05 1.23 -0.20 5.26 2.07 -1.12 -2.81 116.25 120.73 3h02 h VAL 136 Ca -0.19 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3h02 h VAL 136 Cb 1.89 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3h02 h VAL 136 CO 0.22 0.22 0.09 -0.07 0.02 0.00 0.00 177.57 178.05 3h02 h LEU 137 N 1.18 0.12 -8.14 2.57 3.38 -1.31 -3.43 115.31 109.67 3h02 h LEU 137 Ca 0.32 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.10 3h02 h LEU 137 Cb -0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3h02 h LEU 137 CO -0.07 0.10 0.57 -1.38 0.09 0.00 0.00 178.44 177.75 3h02 s HIS 138 N -6.18 1.61 0.00 1.13 -3.43 -1.06 -4.99 115.29 102.37 3h02 s HIS 138 Ca -0.13 1.16 0.00 0.00 -0.80 0.00 0.00 55.06 55.29 3h02 s HIS 138 Cb 0.09 -3.78 0.00 0.00 -1.43 0.00 0.00 32.58 27.46 3h02 s HIS 138 CO 0.69 -1.33 0.00 0.00 -2.00 0.00 0.00 174.74 172.10 3h02 h ASP 142 N 0.00 0.89 -4.53 0.00 3.32 -0.99 -3.45 116.42 111.66 3h02 h ASP 142 Ca 0.00 -0.08 -0.25 0.00 0.02 0.00 0.00 57.03 56.72 3h02 h ASP 142 Cb 0.00 -0.22 -0.16 0.00 0.22 0.00 0.00 39.33 39.17 3h02 h ASP 142 CO 0.00 0.70 -0.71 -0.76 -1.72 0.00 0.00 179.24 176.76 3h02 s LEU 143 N -10.00 2.47 -0.07 1.55 1.43 -1.13 -5.04 118.68 107.90 3h02 s LEU 143 Ca -0.13 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 3h02 s LEU 143 Cb 0.15 -0.14 0.03 0.00 0.03 0.00 0.00 46.19 46.25 3h02 s LEU 143 CO 0.79 -0.39 -0.01 -0.89 0.23 0.00 0.00 176.35 176.08 3h02 s THR 144 N -3.14 0.42 -0.26 5.49 2.01 -1.26 -0.70 115.64 118.20 3h02 s THR 144 Ca 0.09 0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.07 3h02 s THR 144 Cb 0.02 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 3h02 s THR 144 CO -0.03 0.25 0.09 -0.63 -0.69 0.00 0.00 174.62 173.61 3h02 s ILE 145 N 1.71 4.44 -0.01 1.82 -1.09 -0.15 -0.51 121.20 127.41 3h02 s ILE 145 Ca 0.01 -0.16 0.03 0.00 -2.23 0.00 0.00 60.65 58.31 3h02 s ILE 145 Cb -0.13 -3.10 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 3h02 s ILE 145 CO -0.04 0.31 -0.08 0.00 -1.23 0.00 0.00 174.94 173.89 3h02 s ALA 146 N 1.63 2.95 0.54 9.38 0.00 -0.59 -1.08 121.76 134.58 3h02 s ALA 146 Ca 0.06 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 3h02 s ALA 146 Cb -0.15 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 3h02 s ALA 146 CO 0.05 0.60 0.93 0.00 0.00 0.00 0.00 175.76 177.33 3h02 s ALA 147 N -0.94 3.20 0.65 0.00 0.00 -0.20 -0.94 121.76 123.53 3h02 s ALA 147 Ca 0.16 -0.17 0.38 0.00 0.00 0.00 0.00 51.96 52.33 3h02 s ALA 147 Cb -0.11 -2.91 2.09 0.00 0.00 0.00 0.00 23.12 22.19 3h02 s ALA 147 CO 0.06 -0.44 2.23 0.93 0.00 0.00 0.00 175.76 178.54 3h02 h GLU 148 N 0.24 0.00 -0.54 0.00 5.08 -1.41 -1.10 114.58 116.84 3h02 h GLU 148 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3h02 h GLU 148 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3h02 h GLU 148 CO 0.62 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.90 3h02 n ASN 149 N -3.24 2.90 -4.77 1.42 6.94 -1.26 -4.49 115.26 112.76 3h02 n ASN 149 Ca -0.02 -2.01 -0.39 0.00 -0.02 0.00 0.00 54.58 52.14 3h02 n ASN 149 Cb 0.17 -0.36 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 3h02 n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h02 s ALA 150 N -1.29 3.28 -0.05 -2.53 0.00 -0.42 -3.60 121.76 117.15 3h02 s ALA 150 Ca 0.36 1.00 0.02 0.00 0.00 0.00 0.00 51.96 53.34 3h02 s ALA 150 Cb 0.19 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.94 3h02 s ALA 150 CO 0.24 -0.46 -0.08 0.42 0.00 0.00 0.00 175.76 175.88 3h02 s ILE 151 N -1.31 0.84 0.09 0.00 -1.09 0.19 -2.44 121.20 117.48 3h02 s ILE 151 Ca 0.53 -0.31 0.09 0.00 -2.23 0.00 0.00 60.65 58.73 3h02 s ILE 151 Cb -0.33 -0.80 -0.03 0.00 -1.58 0.00 0.00 42.46 39.72 3h02 s ILE 151 CO 0.42 0.29 -0.24 -0.36 -1.23 0.00 0.00 174.94 173.82 3h02 s PHE 152 N 0.76 2.05 0.00 3.97 0.08 0.29 -0.82 117.98 124.30 3h02 s PHE 152 Ca -0.13 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.52 3h02 s PHE 152 Cb -0.15 -1.16 0.00 0.00 -0.57 0.00 0.00 43.02 41.14 3h02 s PHE 152 CO 0.02 0.21 0.00 0.41 -0.10 0.00 0.00 175.22 175.76 3h02 n GLY 153 N 1.33 2.02 3.90 4.36 0.00 -1.10 0.02 105.19 115.72 3h02 n GLY 153 Ca -0.18 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 3h02 n GLY 153 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h02 s GLN 154 N -2.00 2.78 0.00 1.61 -1.52 -1.26 -1.59 119.66 117.67 3h02 s GLN 154 Ca 0.00 -1.28 0.00 0.00 -1.95 0.00 0.00 55.36 52.13 3h02 s GLN 154 Cb 0.00 -2.55 0.00 0.00 -0.22 0.00 0.00 33.01 30.24 3h02 s GLN 154 CO 0.00 0.01 0.00 0.25 -0.25 0.00 0.00 175.29 175.30 3h02 n THR 155 N -1.49 0.00 0.00 -0.19 -2.24 -1.26 -4.52 114.28 104.58 3h02 n THR 155 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3h02 n THR 155 Cb 0.60 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 3h02 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h02 n GLY 156 N 1.04 -0.79 0.37 3.38 0.00 -1.26 0.46 105.19 108.40 3h02 n GLY 156 Ca 0.00 0.16 0.17 0.00 0.00 0.00 0.00 46.02 46.35 3h02 n GLY 156 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h02 h PRO 157 N 0.00 0.18 0.00 1.61 0.11 -1.68 0.24 132.00 132.46 3h02 h PRO 157 Ca 0.00 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 3h02 h PRO 157 Cb 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3h02 h PRO 157 CO 0.00 0.12 -0.47 -0.22 -0.21 0.00 0.00 178.00 177.22 3h02 h LYS 158 N 0.19 0.00 -0.14 1.05 3.64 -0.31 -3.17 116.57 117.83 3h02 h LYS 158 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3h02 h LYS 158 Cb 0.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3h02 h LYS 158 CO -0.05 0.47 0.00 1.33 -2.27 0.00 0.00 179.45 178.93 3h02 n VAL 159 N -3.80 1.86 -2.77 2.00 0.24 -0.42 -5.01 118.33 110.43 3h02 n VAL 159 Ca -0.01 -1.84 -0.09 0.00 -2.04 0.00 0.00 64.34 60.35 3h02 n VAL 159 Cb 0.52 -0.09 0.04 0.00 -1.47 0.00 0.00 33.84 32.84 3h02 n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h02 n GLY 160 N -0.76 0.06 3.55 7.63 0.00 0.49 -5.01 105.19 111.15 3h02 n GLY 160 Ca 0.16 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 3h02 n GLY 160 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3h02 n SER 161 N -1.89 -2.13 -3.54 1.61 2.88 0.53 -4.98 113.62 106.11 3h02 n SER 161 Ca -0.12 -2.54 -0.07 0.00 -1.33 0.00 0.00 58.87 54.81 3h02 n SER 161 Cb 0.58 3.56 -0.02 0.00 -0.75 0.00 0.00 64.21 67.58 3h02 n SER 161 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3h02 s PHE 162 N -2.54 -0.25 -0.34 0.66 -0.71 -1.26 -2.06 117.98 111.47 3h02 s PHE 162 Ca 0.16 0.16 0.03 0.00 -1.04 0.00 0.00 56.93 56.24 3h02 s PHE 162 Cb -0.04 0.53 0.10 0.00 -1.21 0.00 0.00 43.02 42.39 3h02 s PHE 162 CO 0.12 -0.39 0.07 0.34 -1.34 0.00 0.00 175.22 174.02 3h02 s ASP 163 N -2.33 4.58 -0.03 1.98 -1.08 -1.26 -4.97 116.67 113.55 3h02 s ASP 163 Ca 0.07 -2.09 0.16 0.00 -0.52 0.00 0.00 52.55 50.16 3h02 s ASP 163 Cb -0.01 -1.46 0.51 0.00 -1.46 0.00 0.00 42.92 40.51 3h02 s ASP 163 CO -0.07 -0.38 1.41 0.61 0.52 0.00 0.00 175.17 177.26 3h02 n GLY 164 N 4.32 1.79 0.00 2.66 0.00 -1.26 -3.28 105.19 109.42 3h02 n GLY 164 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3h02 n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h02 n GLY 165 N 1.21 0.63 0.26 -0.02 0.00 -1.26 -4.64 105.19 101.38 3h02 n GLY 165 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 3h02 n GLY 165 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h02 h TRP 166 N 0.00 0.00 -0.00 1.61 6.55 -1.97 -2.29 115.95 119.85 3h02 h TRP 166 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3h02 h TRP 166 Cb 0.00 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.30 3h02 h TRP 166 CO 0.00 0.11 0.00 0.78 -1.05 0.00 0.00 178.44 178.29 3h02 h GLY 167 N 0.54 0.00 0.00 1.49 0.00 -1.89 -1.05 103.07 102.16 3h02 h GLY 167 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h02 h GLY 167 CO 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 176.54 176.34 3h02 n ALA 168 N -2.37 0.37 -0.15 3.60 0.00 -0.92 -4.73 120.51 116.32 3h02 n ALA 168 Ca -0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 3h02 n ALA 168 Cb 0.08 0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.60 3h02 n ALA 168 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h02 h SER 169 N -0.21 0.06 0.00 0.00 4.64 -1.53 -2.00 113.55 114.51 3h02 h SER 169 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3h02 h SER 169 Cb 0.21 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3h02 h SER 169 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3h02 n TYR 170 N -5.07 0.00 0.00 4.77 9.36 -0.40 -2.54 117.16 123.28 3h02 n TYR 170 Ca 0.04 -0.37 0.00 0.00 3.32 0.00 0.00 57.90 60.90 3h02 n TYR 170 Cb 0.21 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 38.62 3h02 n TYR 170 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3h02 n ALA 172 N 1.48 0.00 0.57 2.98 0.00 -0.75 -2.40 120.51 122.39 3h02 n ALA 172 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3h02 n ALA 172 Cb 0.22 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.10 3h02 n ALA 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h02 n ARG 173 N 0.00 0.11 -0.11 0.00 5.12 -1.05 -0.72 116.66 120.01 3h02 n ARG 173 Ca 0.00 0.26 -0.19 0.00 -1.93 0.00 0.00 57.85 55.99 3h02 n ARG 173 Cb 0.00 -1.68 -0.07 0.00 -1.16 0.00 0.00 32.46 29.55 3h02 n ARG 173 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3h02 n ILE 174 N -1.88 1.51 0.57 0.55 5.41 -1.01 -4.79 119.36 119.73 3h02 n ILE 174 Ca 0.04 -0.11 0.06 0.00 1.00 0.00 0.00 62.75 63.75 3h02 n ILE 174 Cb 0.26 -2.12 -0.00 0.00 -0.71 0.00 0.00 39.64 37.07 3h02 n ILE 174 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3h02 n VAL 175 N -4.37 0.00 0.00 1.39 0.24 -1.24 -4.78 118.33 109.56 3h02 n VAL 175 Ca -0.33 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 3h02 n VAL 175 Cb 0.68 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.20 3h02 n VAL 175 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h02 n GLY 176 N 1.01 0.71 0.28 7.63 0.00 0.10 -4.45 105.19 110.48 3h02 n GLY 176 Ca 0.05 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 3h02 n GLY 176 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3h02 h GLN 177 N 0.00 0.76 -0.17 1.61 1.08 -2.00 -1.38 115.11 115.02 3h02 h GLN 177 Ca 0.00 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 3h02 h GLN 177 Cb 0.00 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3h02 h GLN 177 CO 0.00 0.82 0.06 0.87 -0.95 0.00 0.00 178.83 179.63 3h02 h LYS 178 N 0.70 0.26 -0.31 1.46 1.79 -1.96 -2.20 116.57 116.30 3h02 h LYS 178 Ca 0.13 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.40 3h02 h LYS 178 Cb 0.54 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 3h02 h LYS 178 CO 0.03 0.36 -0.38 0.87 -1.08 0.00 0.00 179.45 179.25 3h02 h LYS 179 N 0.11 0.73 -0.68 3.15 1.79 -1.76 -2.60 116.57 117.30 3h02 h LYS 179 Ca 0.06 -0.37 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 3h02 h LYS 179 Cb 0.20 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 3h02 h LYS 179 CO -0.00 0.98 0.41 0.00 -1.08 0.00 0.00 179.45 179.76 3h02 h ALA 180 N 0.97 0.87 -0.50 3.86 0.00 -1.18 -0.02 119.26 123.25 3h02 h ALA 180 Ca 0.05 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3h02 h ALA 180 Cb 0.92 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3h02 h ALA 180 CO 0.08 0.34 -0.05 0.00 0.00 0.00 0.00 179.25 179.62 3h02 h ARG 181 N 0.93 0.89 0.19 0.00 3.08 -1.34 -1.92 114.38 116.20 3h02 h ARG 181 Ca 0.24 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3h02 h ARG 181 Cb -0.03 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3h02 h ARG 181 CO -0.05 0.92 -0.09 1.49 -1.07 0.00 0.00 179.97 181.17 3h02 h GLU 182 N 0.81 -0.24 -0.58 0.04 4.81 -1.06 0.18 114.58 118.54 3h02 h GLU 182 Ca 0.14 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 3h02 h GLU 182 Cb 0.56 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 3h02 h GLU 182 CO 0.03 -0.08 0.27 0.82 -0.73 0.00 0.00 179.01 179.33 3h02 h ILE 183 N -0.35 0.89 0.09 2.32 2.04 -0.83 -2.07 117.51 119.60 3h02 h ILE 183 Ca -0.03 -0.17 -0.26 0.00 1.00 0.00 0.00 64.86 65.40 3h02 h ILE 183 Cb 0.27 0.33 0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3h02 h ILE 183 CO 0.04 0.09 -1.07 -0.50 0.00 0.00 0.00 178.15 176.72 3h02 h TRP 184 N 0.51 0.89 -0.26 1.37 4.06 -1.28 -2.78 115.95 118.46 3h02 h TRP 184 Ca 0.27 -0.55 -0.17 0.00 2.06 0.00 0.00 58.89 60.50 3h02 h TRP 184 Cb 0.24 -0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 28.32 3h02 h TRP 184 CO -0.12 1.40 -0.50 0.74 -3.56 0.00 0.00 178.44 176.39 3h02 h PHE 185 N 0.14 0.90 0.00 0.49 -1.00 -0.57 -3.33 116.94 113.57 3h02 h PHE 185 Ca -0.16 -0.30 -0.18 0.00 2.81 0.00 0.00 57.97 60.13 3h02 h PHE 185 Cb 1.76 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 41.12 3h02 h PHE 185 CO 0.13 1.08 -1.84 1.28 -1.61 0.00 0.00 178.31 177.35 3h02 n LEU 186 N -4.00 0.39 -3.68 1.54 4.32 -0.79 -4.97 117.00 109.81 3h02 n LEU 186 Ca -0.03 0.17 -0.23 0.00 -0.02 0.00 0.00 56.01 55.90 3h02 n LEU 186 Cb 0.59 0.18 0.05 0.00 -1.62 0.00 0.00 43.42 42.62 3h02 n LEU 186 CO 0.48 0.21 0.04 0.00 -1.22 0.00 0.00 177.39 176.90 3h02 s ARG 188 N -6.04 1.70 -0.07 0.00 0.52 -1.26 -4.83 118.95 108.97 3h02 s ARG 188 Ca 0.21 -0.59 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 3h02 s ARG 188 Cb -0.10 -2.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 3h02 s ARG 188 CO 0.79 -1.54 -0.01 -0.65 0.02 0.00 0.00 175.30 173.92 3h02 s GLN 189 N -5.33 2.92 -0.03 3.54 -0.21 -1.26 -4.28 119.66 115.01 3h02 s GLN 189 Ca 0.65 -0.46 0.07 0.00 0.02 0.00 0.00 55.36 55.64 3h02 s GLN 189 Cb -0.07 -2.75 -0.02 0.00 1.00 0.00 0.00 33.01 31.17 3h02 s GLN 189 CO 0.46 0.69 -0.25 0.71 -2.12 0.00 0.00 175.29 174.78 3h02 s TYR 190 N -0.91 2.38 0.80 0.91 2.02 0.10 -4.93 117.35 117.73 3h02 s TYR 190 Ca 0.14 -0.43 -0.09 0.00 -0.37 0.00 0.00 57.07 56.32 3h02 s TYR 190 Cb -0.11 -1.52 0.12 0.00 -0.40 0.00 0.00 41.96 40.05 3h02 s TYR 190 CO 0.04 -0.03 1.13 0.16 -1.57 0.00 0.00 175.55 175.27 3h02 s ASP 191 N -0.58 4.11 0.22 2.29 1.47 -1.26 -0.55 116.67 122.36 3h02 s ASP 191 Ca 0.09 0.24 -0.09 0.00 1.18 0.00 0.00 52.55 53.97 3h02 s ASP 191 Cb -0.10 -0.61 0.20 0.00 -0.34 0.00 0.00 42.92 42.06 3h02 s ASP 191 CO -0.00 -2.07 1.87 0.00 0.68 0.00 0.00 175.17 175.65 3h02 h ALA 192 N -0.98 1.01 -0.49 2.11 0.00 -1.70 -0.34 119.26 118.86 3h02 h ALA 192 Ca -0.43 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3h02 h ALA 192 Cb 1.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3h02 h ALA 192 CO 0.49 0.34 -0.10 0.37 0.00 0.00 0.00 179.25 180.35 3h02 h GLN 193 N 1.00 0.91 0.03 0.00 5.75 -1.90 0.01 115.11 120.90 3h02 h GLN 193 Ca 0.30 -0.31 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3h02 h GLN 193 Cb -0.04 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 3h02 h GLN 193 CO -0.09 0.96 -0.06 1.96 -2.65 0.00 0.00 178.83 178.95 3h02 h GLN 194 N 0.82 -0.12 -0.72 1.69 4.20 -1.76 0.72 115.11 119.94 3h02 h GLN 194 Ca 0.13 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.86 3h02 h GLN 194 Cb 0.62 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 3h02 h GLN 194 CO 0.04 -0.08 0.47 0.00 -0.67 0.00 0.00 178.83 178.60 3h02 h ALA 195 N 0.84 0.92 -0.14 3.87 0.00 -0.86 -2.84 119.26 121.05 3h02 h ALA 195 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3h02 h ALA 195 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h02 h ALA 195 CO -0.05 0.31 0.05 1.25 0.00 0.00 0.00 179.25 180.82 3h02 h LEU 196 N 0.96 0.20 -2.00 0.00 5.85 -0.74 0.14 115.31 119.71 3h02 h LEU 196 Ca 0.27 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3h02 h LEU 196 Cb -0.08 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3h02 h LEU 196 CO -0.07 0.33 0.00 0.47 -0.34 0.00 0.00 178.44 178.83 3h02 n ASP 197 N -4.87 0.00 -0.47 1.25 8.00 0.23 -4.48 116.55 116.20 3h02 n ASP 197 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3h02 n ASP 197 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3h02 n ASP 197 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h02 n GLY 199 N 0.82 0.55 0.11 0.44 0.00 -0.97 -5.10 105.19 101.05 3h02 n GLY 199 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3h02 n GLY 199 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h02 h LEU 200 N 0.00 0.09 -8.83 0.99 5.85 -1.20 -3.44 115.31 108.77 3h02 h LEU 200 Ca 0.00 -0.07 -0.43 0.00 0.84 0.00 0.00 57.88 58.22 3h02 h LEU 200 Cb 1.24 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 42.10 3h02 h LEU 200 CO 0.00 0.86 -0.73 0.68 -0.34 0.00 0.00 178.44 178.90 3h02 s VAL 201 N -3.24 1.62 0.06 1.05 -7.23 -1.23 -4.86 120.40 106.57 3h02 s VAL 201 Ca -0.01 -2.14 0.07 0.00 -1.81 0.00 0.00 61.98 58.09 3h02 s VAL 201 Cb 0.11 -1.97 -0.23 0.00 0.56 0.00 0.00 36.38 34.86 3h02 s VAL 201 CO 0.80 -0.60 1.06 0.78 -0.31 0.00 0.00 175.10 176.83 3h02 h ASN 202 N 2.69 0.06 -4.85 4.85 4.21 -1.12 -3.42 115.58 118.00 3h02 h ASN 202 Ca -0.38 -0.08 0.01 0.00 1.21 0.00 0.00 56.30 57.06 3h02 h ASN 202 Cb 1.21 -0.02 -0.15 0.00 -1.12 0.00 0.00 38.32 38.24 3h02 h ASN 202 CO 0.61 1.06 0.30 0.28 -1.29 0.00 0.00 177.43 178.39 3h02 s THR 203 N -2.67 0.00 -0.10 2.81 -1.32 -1.22 -5.05 115.64 108.09 3h02 s THR 203 Ca -0.02 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.49 3h02 s THR 203 Cb 0.09 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.09 3h02 s THR 203 CO 0.83 0.00 -0.20 -0.69 -2.21 0.00 0.00 174.62 172.35 3h02 s VAL 204 N -2.79 1.78 0.16 5.08 1.01 -1.26 -1.55 120.40 122.84 3h02 s VAL 204 Ca -0.01 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3h02 s VAL 204 Cb -0.01 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 3h02 s VAL 204 CO -0.05 0.50 -0.07 0.68 0.00 0.00 0.00 175.10 176.15 3h02 s VAL 205 N 0.56 1.05 0.49 2.92 -7.23 -0.12 -4.95 120.40 113.12 3h02 s VAL 205 Ca -0.15 -2.04 -0.23 0.00 -1.81 0.00 0.00 61.98 57.75 3h02 s VAL 205 Cb -0.17 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 34.76 3h02 s VAL 205 CO 0.05 -0.67 1.26 -2.65 -0.31 0.00 0.00 175.10 172.78 3h02 n PRO 206 N -0.22 1.73 -0.33 4.82 -0.02 -1.26 -1.13 135.00 138.59 3h02 n PRO 206 Ca -0.09 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.07 3h02 n PRO 206 Cb 0.61 -2.42 0.22 0.00 -0.02 0.00 0.00 33.50 31.89 3h02 n PRO 206 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3h02 h LEU 207 N 1.68 0.77 -2.19 2.45 5.85 -1.93 -0.55 115.31 121.38 3h02 h LEU 207 Ca -0.49 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3h02 h LEU 207 Cb 1.31 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 3h02 h LEU 207 CO 0.58 0.40 -0.06 0.00 -0.34 0.00 0.00 178.44 179.02 3h02 h ALA 208 N 1.52 1.20 -0.47 1.25 0.00 -2.03 -2.68 119.26 118.04 3h02 h ALA 208 Ca 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3h02 h ALA 208 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3h02 h ALA 208 CO -0.28 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 178.79 3h02 n ASP 209 N -3.45 3.46 0.02 0.00 8.00 -0.24 -4.72 116.55 119.61 3h02 n ASP 209 Ca -0.02 -2.13 -0.10 0.00 0.71 0.00 0.00 54.79 53.25 3h02 n ASP 209 Cb 0.19 -0.36 -0.04 0.00 -0.02 0.00 0.00 41.12 40.89 3h02 n ASP 209 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3h02 h LEU 210 N 2.81 -0.84 -0.39 0.64 5.85 -1.13 -0.99 115.31 121.26 3h02 h LEU 210 Ca 0.00 0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3h02 h LEU 210 Cb 0.93 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3h02 h LEU 210 CO 0.04 -0.33 -0.25 -0.08 -0.34 0.00 0.00 178.44 177.49 3h02 h GLU 211 N -0.37 0.85 -0.53 1.25 4.81 -1.84 -1.00 114.58 117.75 3h02 h GLU 211 Ca 0.09 -0.40 0.09 0.00 -0.13 0.00 0.00 59.36 59.01 3h02 h GLU 211 Cb 0.50 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 3h02 h GLU 211 CO -0.30 1.04 0.14 -0.22 -0.73 0.00 0.00 179.01 178.94 3h02 h LYS 212 N 0.66 0.29 -0.10 1.92 3.64 -1.83 0.22 116.57 121.36 3h02 h LYS 212 Ca 0.08 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 3h02 h LYS 212 Cb 0.81 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.58 3h02 h LYS 212 CO 0.07 0.19 -0.58 0.93 -2.27 0.00 0.00 179.45 177.79 3h02 h GLU 213 N 0.30 0.58 -0.34 1.90 4.39 -1.12 -2.17 114.58 118.12 3h02 h GLU 213 Ca 0.26 -0.48 0.05 0.00 0.34 0.00 0.00 59.36 59.53 3h02 h GLU 213 Cb 0.34 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 3h02 h GLU 213 CO -0.31 1.11 0.05 1.15 -1.16 0.00 0.00 179.01 179.84 3h02 h THR 214 N 0.20 0.81 -0.75 1.13 2.02 -0.83 -0.10 112.91 115.39 3h02 h THR 214 Ca -0.04 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3h02 h THR 214 Cb 1.23 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 3h02 h THR 214 CO 0.12 0.03 0.42 0.58 0.37 0.00 0.00 175.52 177.04 3h02 h VAL 215 N 0.16 1.22 -0.20 3.16 2.07 -0.58 0.29 116.25 122.37 3h02 h VAL 215 Ca 0.16 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3h02 h VAL 215 Cb 0.19 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3h02 h VAL 215 CO -0.23 0.24 0.13 -0.09 0.02 0.00 0.00 177.57 177.63 3h02 h ARG 216 N 1.04 0.26 -0.76 1.57 2.43 -0.64 -0.38 114.38 117.89 3h02 h ARG 216 Ca 0.27 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 3h02 h ARG 216 Cb 0.00 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3h02 h ARG 216 CO -0.05 0.20 0.49 -1.49 -1.51 0.00 0.00 179.97 177.61 3h02 h TRP 217 N 0.25 0.93 -0.48 2.20 4.06 -0.36 -1.20 115.95 121.35 3h02 h TRP 217 Ca 0.07 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.03 3h02 h TRP 217 Cb -0.00 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 27.82 3h02 h TRP 217 CO -0.06 0.56 0.25 0.00 -3.56 0.00 0.00 178.44 175.63 3h02 h ARG 219 N 0.63 0.54 -1.18 0.00 3.08 -0.84 0.17 114.38 116.78 3h02 h ARG 219 Ca 0.17 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3h02 h ARG 219 Cb 0.07 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h02 h ARG 219 CO -0.03 0.58 0.00 0.39 -1.07 0.00 0.00 179.97 179.84 3h02 n GLU 220 N -4.27 0.23 0.00 0.04 1.02 -0.48 -2.46 120.64 114.73 3h02 n GLU 220 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3h02 n GLU 220 Cb 0.26 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 3h02 n GLU 220 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h02 n LEU 222 N 0.69 0.00 0.23 -4.62 4.77 0.60 -3.98 117.00 114.69 3h02 n LEU 222 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 3h02 n LEU 222 Cb 0.09 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.72 3h02 n LEU 222 CO 0.00 0.00 0.93 1.56 -1.33 0.00 0.00 177.39 178.55 3h02 h GLN 223 N 0.00 0.00 -6.81 3.23 1.08 -1.76 -3.45 115.11 107.40 3h02 h GLN 223 Ca 0.00 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.75 3h02 h GLN 223 Cb 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.47 3h02 h GLN 223 CO 0.00 0.00 -0.04 -0.80 -0.95 0.00 0.00 178.83 177.04 3h02 s ASN 224 N -5.47 5.51 0.02 1.46 0.01 -1.26 -5.04 114.94 110.18 3h02 s ASN 224 Ca 0.03 0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 52.04 3h02 s ASN 224 Cb 0.08 -1.20 -0.07 0.00 0.41 0.00 0.00 41.25 40.48 3h02 s ASN 224 CO 0.54 -0.97 1.60 -0.55 -1.51 0.00 0.00 177.10 176.21 3h02 s SER 225 N -4.33 6.68 0.00 -1.22 0.15 -1.26 -4.97 113.70 108.74 3h02 s SER 225 Ca 0.53 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.52 3h02 s SER 225 Cb -0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 3h02 s SER 225 CO 0.39 -0.86 0.00 -0.81 1.20 0.00 0.00 173.24 173.16 3h02 n PRO 226 N 5.93 0.00 0.00 5.44 -0.04 -1.26 -1.16 135.00 143.91 3h02 n PRO 226 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3h02 n PRO 226 Cb 0.42 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3h02 n PRO 226 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h02 n ALA 228 N 0.74 0.00 -0.15 0.55 0.00 -1.26 -0.90 120.51 119.48 3h02 n ALA 228 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3h02 n ALA 228 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3h02 n ALA 228 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h02 h LEU 229 N 0.00 0.59 -0.39 0.00 3.38 -1.51 -0.16 115.31 117.21 3h02 h LEU 229 Ca 0.00 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3h02 h LEU 229 Cb 0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3h02 h LEU 229 CO 0.00 0.55 0.07 -0.09 0.09 0.00 0.00 178.44 179.06 3h02 h ARG 230 N 0.59 0.19 -0.40 1.13 2.43 -1.15 0.15 114.38 117.30 3h02 h ARG 230 Ca 0.15 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 3h02 h ARG 230 Cb 0.11 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3h02 h ARG 230 CO -0.02 0.12 -0.16 0.00 -1.51 0.00 0.00 179.97 178.40 3h02 h LEU 232 N 0.67 0.97 -0.48 0.00 3.38 -0.56 -0.86 115.31 118.42 3h02 h LEU 232 Ca 0.11 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3h02 h LEU 232 Cb 0.65 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3h02 h LEU 232 CO 0.05 1.25 0.27 0.50 0.09 0.00 0.00 178.44 180.59 3h02 h LYS 233 N 0.71 0.67 -0.71 1.13 3.64 -0.64 -0.52 116.57 120.85 3h02 h LYS 233 Ca 0.06 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3h02 h LYS 233 Cb 0.98 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 3h02 h LYS 233 CO 0.09 0.52 0.37 0.00 -2.27 0.00 0.00 179.45 178.16 3h02 h ALA 234 N 1.11 0.91 -0.58 5.00 0.00 -1.27 -0.05 119.26 124.38 3h02 h ALA 234 Ca 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3h02 h ALA 234 Cb 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3h02 h ALA 234 CO -0.03 0.45 0.18 0.00 0.00 0.00 0.00 179.25 179.85 3h02 h ALA 235 N 1.18 1.23 -0.20 0.00 0.00 -0.74 0.49 119.26 121.22 3h02 h ALA 235 Ca 0.25 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 3h02 h ALA 235 Cb 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3h02 h ALA 235 CO -0.04 0.55 -0.70 -0.07 0.00 0.00 0.00 179.25 178.99 3h02 h LEU 236 N 0.85 0.96 -1.15 0.00 3.38 -0.60 -2.93 115.31 115.82 3h02 h LEU 236 Ca 0.19 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3h02 h LEU 236 Cb 0.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3h02 h LEU 236 CO -0.01 1.39 0.39 0.78 0.09 0.00 0.00 178.44 181.08 3h02 h ASN 237 N 0.58 0.87 0.24 -0.43 2.35 -0.69 -2.91 115.58 115.59 3h02 h ASN 237 Ca -0.03 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3h02 h ASN 237 Cb 1.33 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 3h02 h ASN 237 CO 0.15 0.70 -0.02 0.00 -1.65 0.00 0.00 177.43 176.60 3h02 h ALA 238 N 1.44 1.14 0.00 -0.83 0.00 -0.71 0.10 119.26 120.40 3h02 h ALA 238 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3h02 h ALA 238 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h02 h ALA 238 CO -0.04 0.03 0.00 -3.47 0.00 0.00 0.00 179.25 175.77 3h02 n ASP 239 N -3.31 0.41 -0.01 0.00 2.03 -1.10 -3.98 116.55 110.59 3h02 n ASP 239 Ca -0.02 0.58 -0.02 0.00 0.52 0.00 0.00 54.79 55.85 3h02 n ASP 239 Cb 0.14 -0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 39.85 3h02 n ASP 239 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h02 n ASP 241 N -2.26 5.57 0.00 0.00 8.00 -0.18 -5.03 116.55 122.65 3h02 n ASP 241 Ca -0.05 -2.84 0.00 0.00 0.71 0.00 0.00 54.79 52.61 3h02 n ASP 241 Cb 0.57 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3h02 n ASP 241 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h02 n GLY 242 N 0.72 2.61 0.26 0.44 0.00 -1.26 -1.27 105.19 106.68 3h02 n GLY 242 Ca 0.27 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.33 3h02 n GLY 242 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3h02 h GLN 243 N 0.00 0.00 -0.61 1.61 4.20 -1.96 -0.75 115.11 117.61 3h02 h GLN 243 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3h02 h GLN 243 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3h02 h GLN 243 CO 0.00 0.09 0.04 0.00 -0.67 0.00 0.00 178.83 178.29 3h02 h ALA 244 N 1.91 0.92 -0.37 3.87 0.00 -1.62 -0.16 119.26 123.81 3h02 h ALA 244 Ca -0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3h02 h ALA 244 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3h02 h ALA 244 CO 0.01 0.65 -0.33 0.78 0.00 0.00 0.00 179.25 180.37 3h02 h GLY 245 N 1.01 0.90 1.46 0.00 0.00 -0.50 -2.90 103.07 103.05 3h02 h GLY 245 Ca 0.18 -0.86 -0.08 0.00 0.00 0.00 0.00 47.33 46.57 3h02 h GLY 245 CO 0.02 0.78 -0.12 1.41 0.00 0.00 0.00 176.54 178.63 3h02 h LEU 246 N 0.69 0.63 -0.59 3.11 3.38 -0.86 -1.61 115.31 120.06 3h02 h LEU 246 Ca 0.07 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3h02 h LEU 246 Cb 0.88 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3h02 h LEU 246 CO 0.08 0.78 0.35 -0.61 0.09 0.00 0.00 178.44 179.13 3h02 h GLN 247 N 0.58 0.67 -0.33 1.13 4.15 -0.84 0.37 115.11 120.85 3h02 h GLN 247 Ca 0.10 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 3h02 h GLN 247 Cb 0.55 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3h02 h GLN 247 CO 0.03 0.45 -0.09 0.93 -1.93 0.00 0.00 178.83 178.22 3h02 h GLU 248 N 0.69 0.65 0.24 1.69 5.08 -1.31 -0.58 114.58 121.04 3h02 h GLU 248 Ca 0.24 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3h02 h GLU 248 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3h02 h GLU 248 CO -0.11 0.82 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.54 3h02 h LEU 249 N 0.43 -0.27 -1.48 1.33 3.38 -0.93 -2.61 115.31 115.16 3h02 h LEU 249 Ca 0.08 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3h02 h LEU 249 Cb 0.59 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3h02 h LEU 249 CO 0.03 -0.18 0.12 0.00 0.09 0.00 0.00 178.44 178.51 3h02 h ALA 250 N 0.43 1.59 -0.78 1.53 0.00 -0.23 -1.71 119.26 120.09 3h02 h ALA 250 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3h02 h ALA 250 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3h02 h ALA 250 CO 0.05 0.32 0.39 0.78 0.00 0.00 0.00 179.25 180.80 3h02 h GLY 251 N 0.64 1.19 0.92 0.00 0.00 -0.90 -0.17 103.07 104.75 3h02 h GLY 251 Ca 0.12 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 3h02 h GLY 251 CO -0.01 0.55 0.02 3.43 0.00 0.00 0.00 176.54 180.53 3h02 h ASN 252 N 1.09 0.61 -0.99 0.19 2.35 -0.98 -2.70 115.58 115.16 3h02 h ASN 252 Ca 0.27 -0.29 0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3h02 h ASN 252 Cb 0.09 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.23 3h02 h ASN 252 CO -0.04 0.75 0.64 0.00 -1.65 0.00 0.00 177.43 177.14 3h02 h ALA 253 N 0.88 1.36 0.00 -0.83 0.00 -1.08 -0.80 119.26 118.79 3h02 h ALA 253 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h02 h ALA 253 Cb 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h02 h ALA 253 CO 0.01 0.45 0.00 2.41 0.00 0.00 0.00 179.25 182.12 3h02 n THR 254 N -4.50 0.05 0.00 0.00 -1.04 -0.10 -0.74 114.28 107.95 3h02 n THR 254 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3h02 n THR 254 Cb 0.17 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 3h02 n THR 254 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3h02 n LEU 256 N 0.66 0.00 -0.30 -4.42 4.77 -0.31 -2.02 117.00 115.38 3h02 n LEU 256 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3h02 n LEU 256 Cb 0.04 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 3h02 n LEU 256 CO 0.00 0.00 1.10 0.15 -1.33 0.00 0.00 177.39 177.31 3h02 h PHE 257 N 0.00 1.17 0.00 -1.77 3.57 -1.19 -3.25 116.94 115.47 3h02 h PHE 257 Ca 0.00 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3h02 h PHE 257 Cb 0.00 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 3h02 h PHE 257 CO 0.00 0.85 0.23 0.66 -2.23 0.00 0.00 178.31 177.81 3h02 n TYR 258 N -4.34 0.00 -0.43 0.41 4.01 -0.86 -3.67 117.16 112.28 3h02 n TYR 258 Ca 0.08 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3h02 n TYR 258 Cb 0.14 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 3h02 n TYR 258 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3h02 n THR 260 N 2.52 0.00 -0.22 -0.72 -2.24 -1.23 -4.58 114.28 107.81 3h02 n THR 260 Ca 0.03 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.73 3h02 n THR 260 Cb 0.09 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.36 3h02 n THR 260 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3h02 h GLU 261 N -0.86 1.01 -0.64 -0.78 4.57 -1.96 -1.43 114.58 114.48 3h02 h GLU 261 Ca 0.00 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 57.95 3h02 h GLU 261 Cb 0.05 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 3h02 h GLU 261 CO 0.00 0.92 0.41 1.49 -1.18 0.00 0.00 179.01 180.65 3h02 h GLU 262 N 0.93 0.80 0.00 1.92 4.81 -1.99 -1.02 114.58 120.04 3h02 h GLU 262 Ca 0.20 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3h02 h GLU 262 Cb 0.37 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3h02 h GLU 262 CO 0.00 0.53 0.00 0.78 -0.73 0.00 0.00 179.01 179.59 3h02 h GLY 263 N 0.82 0.00 0.32 1.92 0.00 -1.53 -2.82 103.07 101.78 3h02 h GLY 263 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3h02 h GLY 263 CO -0.08 0.00 -1.40 -1.06 0.00 0.00 0.00 176.54 174.00 3h02 n GLN 264 N -2.56 0.42 0.13 4.80 6.02 -0.58 -4.25 117.38 121.37 3h02 n GLN 264 Ca 0.01 -0.06 0.06 0.00 -0.01 0.00 0.00 57.00 57.00 3h02 n GLN 264 Cb 0.24 -1.58 0.53 0.00 1.02 0.00 0.00 30.24 30.45 3h02 n GLN 264 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3h02 h GLU 265 N 0.00 0.28 0.81 -1.09 4.57 -0.95 -0.89 114.58 117.31 3h02 h GLU 265 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3h02 h GLU 265 Cb 0.83 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 29.37 3h02 h GLU 265 CO 0.00 0.19 -0.39 0.78 -1.18 0.00 0.00 179.01 178.41 3h02 h GLY 266 N 0.30 -1.14 1.30 1.92 0.00 -1.74 -0.44 103.07 103.27 3h02 h GLY 266 Ca 0.08 0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 3h02 h GLY 266 CO -0.02 -0.41 0.43 3.21 0.00 0.00 0.00 176.54 179.75 3h02 h ARG 267 N -1.12 0.93 -0.23 4.80 3.08 -1.72 -2.39 114.38 117.73 3h02 h ARG 267 Ca -0.11 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3h02 h ARG 267 Cb 0.84 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3h02 h ARG 267 CO 0.18 0.64 0.08 -0.91 -1.07 0.00 0.00 179.97 178.89 3h02 h ASN 268 N 0.95 0.33 -0.38 7.04 2.35 -1.09 0.64 115.58 125.41 3h02 h ASN 268 Ca 0.25 -0.19 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 3h02 h ASN 268 Cb -0.06 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.16 3h02 h ASN 268 CO -0.05 0.43 -0.07 0.00 -1.65 0.00 0.00 177.43 176.10 3h02 h ALA 269 N 0.91 0.28 0.97 -0.83 0.00 -0.74 0.42 119.26 120.27 3h02 h ALA 269 Ca 0.07 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3h02 h ALA 269 Cb 0.22 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3h02 h ALA 269 CO -0.00 -0.44 -0.48 0.35 0.00 0.00 0.00 179.25 178.68 3h02 h PHE 270 N 0.03 -1.24 -1.04 0.00 3.57 -1.23 1.91 116.94 118.94 3h02 h PHE 270 Ca 0.19 -0.03 0.30 0.00 3.53 0.00 0.00 57.97 61.96 3h02 h PHE 270 Cb 0.28 0.41 -0.13 0.00 2.79 0.00 0.00 35.95 39.30 3h02 h PHE 270 CO -0.32 -0.76 0.62 -0.91 -2.23 0.00 0.00 178.31 174.71 3h02 h ASN 271 N -1.31 0.52 -0.21 0.41 2.35 -0.50 1.85 115.58 118.69 3h02 h ASN 271 Ca -0.13 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3h02 h ASN 271 Cb 1.01 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.47 3h02 h ASN 271 CO 0.21 -0.04 0.00 0.00 -1.65 0.00 0.00 177.43 175.95 3h02 n GLN 272 N -4.90 2.00 -3.99 0.81 6.02 0.14 -4.98 117.38 112.49 3h02 n GLN 272 Ca 0.30 -1.50 -0.29 0.00 -0.01 0.00 0.00 57.00 55.50 3h02 n GLN 272 Cb 0.95 -1.44 -0.05 0.00 1.02 0.00 0.00 30.24 30.71 3h02 n GLN 272 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3h02 n LYS 273 N 0.74 -0.78 -4.50 -1.09 5.02 0.63 -4.97 118.16 113.21 3h02 n LYS 273 Ca 0.17 0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.26 3h02 n LYS 273 Cb 0.43 -2.59 -0.09 0.00 -0.02 0.00 0.00 35.03 32.76 3h02 n LYS 273 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3h02 s ARG 274 N -6.70 1.81 0.33 1.97 1.70 0.16 -4.98 118.95 113.24 3h02 s ARG 274 Ca 0.11 -2.07 -0.23 0.00 -0.47 0.00 0.00 55.73 53.07 3h02 s ARG 274 Cb -0.06 -0.80 -0.10 0.00 -0.57 0.00 0.00 34.95 33.42 3h02 s ARG 274 CO 0.81 -0.33 0.90 -0.65 -1.08 0.00 0.00 175.30 174.95 3h02 s GLN 275 N -3.81 4.43 0.37 3.89 -1.52 -1.26 -4.33 119.66 117.42 3h02 s GLN 275 Ca 0.29 1.18 -0.28 0.00 -1.95 0.00 0.00 55.36 54.60 3h02 s GLN 275 Cb 0.05 -2.66 -0.10 0.00 -0.22 0.00 0.00 33.01 30.09 3h02 s GLN 275 CO 0.14 0.22 1.38 -2.14 -0.25 0.00 0.00 175.29 174.64 3h02 s PRO 276 N -2.34 4.16 -0.32 2.91 0.02 -1.26 -4.91 135.00 133.26 3h02 s PRO 276 Ca 0.52 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.89 3h02 s PRO 276 Cb -0.16 -2.95 0.10 0.00 0.02 0.00 0.00 34.50 31.51 3h02 s PRO 276 CO 0.21 -0.40 0.08 0.34 -0.33 0.00 0.00 177.00 176.89 3h02 s ASP 277 N -0.42 4.24 0.00 2.53 2.15 -1.26 -4.95 116.67 118.97 3h02 s ASP 277 Ca 0.52 -1.78 0.20 0.00 0.43 0.00 0.00 52.55 51.92 3h02 s ASP 277 Cb -0.42 -1.11 0.53 0.00 -0.30 0.00 0.00 42.92 41.63 3h02 s ASP 277 CO 0.56 -0.40 1.45 0.49 -0.17 0.00 0.00 175.17 177.10 3h02 n PHE 278 N 4.66 0.69 -0.26 -5.34 3.01 -1.26 -4.44 117.46 114.52 3h02 n PHE 278 Ca -0.00 -0.35 0.08 0.00 1.01 0.00 0.00 57.45 58.19 3h02 n PHE 278 Cb 0.42 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.21 3h02 n PHE 278 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3h02 h SER 279 N 3.62 0.76 0.68 4.37 4.64 -2.03 -2.10 113.55 123.50 3h02 h SER 279 Ca 0.00 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3h02 h SER 279 Cb 0.82 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 3h02 h SER 279 CO 0.00 0.45 -0.23 0.07 -0.87 0.00 0.00 176.83 176.25 3h02 h LYS 280 N 0.84 0.00 -6.65 4.77 -0.00 -2.04 -3.44 116.57 110.05 3h02 h LYS 280 Ca 0.40 0.00 -0.51 0.00 -0.00 0.00 0.00 60.65 60.54 3h02 h LYS 280 Cb 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.65 3h02 h LYS 280 CO -0.17 0.23 0.43 -0.06 -0.00 0.00 0.00 179.45 179.88 3h02 s PHE 281 N -3.86 3.69 0.65 0.07 0.40 -0.79 -5.01 117.98 113.13 3h02 s PHE 281 Ca -0.01 1.69 -0.16 0.00 -0.60 0.00 0.00 56.93 57.85 3h02 s PHE 281 Cb 0.12 -3.19 -0.00 0.00 0.51 0.00 0.00 43.02 40.46 3h02 s PHE 281 CO 0.63 -0.28 1.16 0.15 0.70 0.00 0.00 175.22 177.58 3h02 s LYS 282 N -0.41 2.72 -0.85 0.44 -0.14 -1.26 -4.98 119.74 115.26 3h02 s LYS 282 Ca 0.48 1.60 -0.01 0.00 -1.36 0.00 0.00 55.97 56.67 3h02 s LYS 282 Cb -0.28 -1.92 0.21 0.00 -1.68 0.00 0.00 37.83 34.16 3h02 s LYS 282 CO 0.34 -1.35 0.72 1.03 -0.76 0.00 0.00 175.35 175.33 3h02 s ARG 283 N -3.80 3.13 0.84 1.68 0.52 -1.26 -5.08 118.95 114.99 3h02 s ARG 283 Ca 0.72 -3.22 -0.13 0.00 -0.52 0.00 0.00 55.73 52.58 3h02 s ARG 283 Cb -0.25 -3.89 0.09 0.00 0.52 0.00 0.00 34.95 31.42 3h02 s ARG 283 CO 0.39 -1.26 1.08 0.09 0.02 0.00 0.00 175.30 175.62 3h02 n ASN 284 N 2.40 0.45 0.00 0.23 3.02 -1.26 -5.34 115.26 114.76 3h02 n ASN 284 Ca 0.20 0.52 0.16 0.00 -0.03 0.00 0.00 54.58 55.43 3h02 n ASN 284 Cb 0.37 -1.46 0.93 0.00 -0.61 0.00 0.00 39.78 39.02 3h02 n ASN 284 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83