#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h02 n LEU 9 N 0.00 0.00 -1.37 3.22 4.77 -1.26 -2.68 117.00 119.68 3h02 n LEU 9 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3h02 n LEU 9 Cb 0.00 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.42 3h02 n LEU 9 CO 0.00 0.00 0.78 -1.22 -1.33 0.00 0.00 177.39 175.62 3h02 n TYR 10 N 0.00 1.03 -1.10 -1.77 4.01 -1.26 -4.01 117.16 114.06 3h02 n TYR 10 Ca 0.00 -0.51 -0.34 0.00 -0.16 0.00 0.00 57.90 56.89 3h02 n TYR 10 Cb 0.00 -0.03 0.12 0.00 -0.31 0.00 0.00 39.34 39.12 3h02 n TYR 10 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h02 n ALA 11 N 1.58 -0.56 -0.87 -0.72 0.00 -1.09 -4.93 120.51 113.92 3h02 n ALA 11 Ca 0.25 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 3h02 n ALA 11 Cb 0.65 -2.13 0.15 0.00 0.00 0.00 0.00 19.45 18.12 3h02 n ALA 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h02 s PRO 12 N -3.82 1.29 -0.12 0.00 0.04 -1.26 -5.01 135.00 126.12 3h02 s PRO 12 Ca 0.70 1.61 0.02 0.00 0.04 0.00 0.00 61.00 63.37 3h02 s PRO 12 Cb -0.29 -1.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 3h02 s PRO 12 CO 0.54 -2.44 -0.19 0.14 0.04 0.00 0.00 177.00 175.09 3h02 s VAL 13 N -2.48 2.48 -0.40 -0.36 -7.23 -1.26 -5.10 120.40 106.05 3h02 s VAL 13 Ca 0.69 -0.86 -0.14 0.00 -1.81 0.00 0.00 61.98 59.86 3h02 s VAL 13 Cb -0.25 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.71 3h02 s VAL 13 CO 0.55 0.54 0.27 -1.61 -0.31 0.00 0.00 175.10 174.54 3h02 s GLU 14 N 0.47 2.98 -0.01 4.82 2.02 -1.26 -5.07 118.70 122.65 3h02 s GLU 14 Ca -0.13 -1.00 -0.17 0.00 0.02 0.00 0.00 54.97 53.69 3h02 s GLU 14 Cb -0.17 -3.90 -0.06 0.00 0.10 0.00 0.00 34.13 30.11 3h02 s GLU 14 CO 0.05 -0.71 0.48 -1.58 0.02 0.00 0.00 175.26 173.53 3h02 s TRP 15 N 1.65 3.69 -0.13 1.61 0.52 -1.26 -3.58 118.94 121.44 3h02 s TRP 15 Ca 0.04 1.06 -0.01 0.00 0.02 0.00 0.00 56.10 57.21 3h02 s TRP 15 Cb -0.19 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.67 3h02 s TRP 15 CO 0.09 0.49 -0.08 -1.01 0.02 0.00 0.00 176.95 176.45 3h02 s HIS 16 N -0.58 2.91 0.10 -1.98 3.76 0.73 -4.92 115.29 115.30 3h02 s HIS 16 Ca 0.26 -0.41 -0.30 0.00 -0.15 0.00 0.00 55.06 54.46 3h02 s HIS 16 Cb -0.17 -1.87 -0.06 0.00 1.11 0.00 0.00 32.58 31.59 3h02 s HIS 16 CO 0.14 -0.07 1.03 0.34 -0.85 0.00 0.00 174.74 175.34 3h02 s ASP 17 N 0.20 7.36 -0.09 1.40 2.15 -1.26 -1.23 116.67 125.20 3h02 s ASP 17 Ca -0.05 1.87 0.20 0.00 0.43 0.00 0.00 52.55 55.00 3h02 s ASP 17 Cb -0.14 -2.59 0.43 0.00 -0.30 0.00 0.00 42.92 40.32 3h02 s ASP 17 CO 0.04 -0.20 1.19 0.00 -0.17 0.00 0.00 175.17 176.03 3h02 n SER 19 N -0.13 0.75 -4.68 0.00 7.64 -1.03 -4.61 113.62 111.57 3h02 n SER 19 Ca 0.11 -1.12 -0.48 0.00 1.01 0.00 0.00 58.87 58.39 3h02 n SER 19 Cb 0.97 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 64.11 3h02 n SER 19 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3h02 n GLU 20 N -0.49 2.06 0.00 1.43 2.13 -1.26 -1.33 120.64 123.18 3h02 n GLU 20 Ca 0.20 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.77 3h02 n GLU 20 Cb 0.25 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.41 3h02 n GLU 20 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h02 n GLY 21 N 4.00 3.35 3.79 8.31 0.00 -1.26 -5.06 105.19 118.33 3h02 n GLY 21 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.79 3.78 -0.20 1.61 2.02 -0.44 -4.99 117.35 116.33 3h02 s TYR 22 Ca 0.00 1.58 -0.01 0.00 -0.37 0.00 0.00 57.07 58.27 3h02 s TYR 22 Cb 0.00 -2.75 -0.12 0.00 -0.40 0.00 0.00 41.96 38.69 3h02 s TYR 22 CO 0.00 0.39 -0.20 2.41 -1.57 0.00 0.00 175.55 176.58 3h02 n THR 23 N 1.07 1.15 1.00 -0.71 -1.04 -1.26 -4.74 114.28 109.76 3h02 n THR 23 Ca -0.03 -0.41 0.10 0.00 -2.04 0.00 0.00 64.05 61.68 3h02 n THR 23 Cb 0.50 -1.34 -0.07 0.00 -1.82 0.00 0.00 70.33 67.60 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 -3.28 1.06 -4.19 8.00 9.92 -1.26 -4.96 116.55 121.84 3h02 n ASP 24 Ca -0.37 -0.99 -0.11 0.00 -0.53 0.00 0.00 54.79 52.79 3h02 n ASP 24 Cb 0.86 0.87 -0.10 0.00 -0.64 0.00 0.00 41.12 42.11 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 -2.94 0.43 0.07 0.53 -4.36 -1.26 -0.41 121.20 113.26 3h02 s ILE 25 Ca 0.10 -1.93 0.05 0.00 -0.26 0.00 0.00 60.65 58.61 3h02 s ILE 25 Cb 0.16 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 3h02 s ILE 25 CO 0.82 -0.55 -0.07 -0.13 0.24 0.00 0.00 174.94 175.25 3h02 s ARG 26 N -3.96 2.35 -0.05 0.37 0.52 0.29 -4.79 118.95 113.68 3h02 s ARG 26 Ca 0.21 -0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 3h02 s ARG 26 Cb 0.07 -2.41 0.03 0.00 0.52 0.00 0.00 34.95 33.15 3h02 s ARG 26 CO 0.01 0.54 0.06 -0.47 0.02 0.00 0.00 175.30 175.47 3h02 s TYR 27 N -1.17 0.06 0.10 -0.53 5.04 -1.26 -0.96 117.35 118.64 3h02 s TYR 27 Ca 0.21 0.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.11 3h02 s TYR 27 Cb -0.11 -0.49 -0.04 0.00 0.35 0.00 0.00 41.96 41.67 3h02 s TYR 27 CO 0.13 -0.20 -0.08 -1.21 -1.34 0.00 0.00 175.55 172.84 3h02 s GLU 28 N 2.17 0.85 0.00 4.97 2.02 -0.51 0.09 118.70 128.29 3h02 s GLU 28 Ca 0.05 -1.25 0.01 0.00 0.02 0.00 0.00 54.97 53.80 3h02 s GLU 28 Cb -0.12 -0.38 -0.01 0.00 0.10 0.00 0.00 34.13 33.72 3h02 s GLU 28 CO -0.03 0.03 -0.05 0.15 0.02 0.00 0.00 175.26 175.38 3h02 s LYS 29 N -3.30 0.38 0.13 1.61 1.02 -0.36 -0.25 119.74 118.97 3h02 s LYS 29 Ca 0.09 -0.24 -0.04 0.00 0.02 0.00 0.00 55.97 55.80 3h02 s LYS 29 Cb 0.01 -0.34 -0.05 0.00 -0.52 0.00 0.00 37.83 36.93 3h02 s LYS 29 CO -0.02 0.09 0.35 -1.54 -0.92 0.00 0.00 175.35 173.31 3h02 s SER 30 N -0.31 6.47 0.61 2.83 1.04 0.81 -0.20 113.70 124.95 3h02 s SER 30 Ca -0.00 0.53 0.32 0.00 0.48 0.00 0.00 55.95 57.28 3h02 s SER 30 Cb -0.03 -2.07 1.87 0.00 0.10 0.00 0.00 66.02 65.89 3h02 s SER 30 CO -0.00 0.07 2.22 0.74 0.98 0.00 0.00 173.24 177.24 3h02 h THR 31 N 2.04 0.40 0.00 2.02 2.02 -1.89 -1.24 112.91 116.26 3h02 h THR 31 Ca -0.46 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 3h02 h THR 31 Cb 1.16 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 3h02 h THR 31 CO 0.73 0.00 -0.09 -0.78 0.37 0.00 0.00 175.52 175.75 3h02 h ASP 32 N 0.00 0.00 0.00 4.18 -0.00 -1.93 -3.47 116.42 115.21 3h02 h ASP 32 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.06 3h02 h ASP 32 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.50 3h02 h ASP 32 CO -0.00 0.09 0.00 0.61 -0.00 0.00 0.00 179.24 179.94 3h02 n GLY 33 N -0.03 1.57 3.40 -0.78 0.00 -0.47 -4.92 105.19 103.96 3h02 n GLY 33 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.26 -0.08 -0.61 1.01 -1.25 -0.77 121.20 120.76 3h02 s ILE 34 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 3h02 s ILE 34 Cb 0.00 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 3h02 s ILE 34 CO 0.00 0.51 0.02 0.00 0.00 0.00 0.00 174.94 175.47 3h02 s ALA 35 N 0.38 3.36 -0.11 9.38 0.00 -0.71 -0.13 121.76 133.92 3h02 s ALA 35 Ca -0.09 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 3h02 s ALA 35 Cb -0.15 -1.52 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3h02 s ALA 35 CO 0.05 0.60 -0.09 0.21 0.00 0.00 0.00 175.76 176.53 3h02 s LYS 36 N -1.00 1.66 -0.27 0.00 2.20 0.66 -0.38 119.74 122.61 3h02 s LYS 36 Ca 0.14 -0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 55.36 3h02 s LYS 36 Cb -0.11 -1.65 -0.03 0.00 -1.51 0.00 0.00 37.83 34.53 3h02 s LYS 36 CO 0.04 -0.23 0.11 0.42 -0.36 0.00 0.00 175.35 175.32 3h02 s ILE 37 N 1.56 4.50 -0.19 5.43 1.01 0.33 -1.43 121.20 132.42 3h02 s ILE 37 Ca 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 3h02 s ILE 37 Cb -0.13 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.19 3h02 s ILE 37 CO -0.07 0.25 -0.16 -0.89 0.00 0.00 0.00 174.94 174.07 3h02 s THR 38 N 1.63 2.39 0.01 2.92 2.01 -0.13 -1.68 115.64 122.79 3h02 s THR 38 Ca 0.06 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 3h02 s THR 38 Cb -0.16 -2.03 -0.06 0.00 0.01 0.00 0.00 72.50 70.26 3h02 s THR 38 CO 0.05 0.51 1.48 -0.63 -0.69 0.00 0.00 174.62 175.35 3h02 s ILE 39 N 1.33 3.54 -0.74 1.82 1.01 -0.29 -0.55 121.20 127.32 3h02 s ILE 39 Ca 0.05 0.92 0.03 0.00 0.00 0.00 0.00 60.65 61.65 3h02 s ILE 39 Cb -0.13 -3.59 0.30 0.00 0.01 0.00 0.00 42.46 39.05 3h02 s ILE 39 CO -0.10 -0.01 1.10 -3.20 0.00 0.00 0.00 174.94 172.72 3h02 n ASN 40 N 5.63 4.99 -2.85 3.58 5.15 0.45 -0.33 115.26 131.88 3h02 n ASN 40 Ca 0.14 -3.57 -0.14 0.00 -0.60 0.00 0.00 54.58 50.42 3h02 n ASN 40 Cb 0.43 -0.80 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 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 0.38 1.28 0.14 1.20 1.74 -1.26 -4.72 116.66 115.42 3h02 n ARG 41 Ca 0.32 -3.42 0.18 0.00 -0.77 0.00 0.00 57.85 54.16 3h02 n ARG 41 Cb 0.37 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 31.08 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 2.98 0.00 0.00 5.56 0.13 -1.86 -0.69 132.00 138.12 3h02 h PRO 42 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3h02 h PRO 42 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3h02 h PRO 42 CO 0.53 0.00 -0.11 0.37 -0.23 0.00 0.00 178.00 178.56 3h02 h GLN 43 N 0.00 0.00 -0.32 0.86 4.15 -1.97 -1.98 115.11 115.85 3h02 h GLN 43 Ca 0.14 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.35 3h02 h GLN 43 Cb 0.71 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.26 3h02 h GLN 43 CO -0.00 0.11 -0.41 1.33 -1.93 0.00 0.00 178.83 177.93 3h02 n VAL 44 N -3.70 2.44 -3.58 2.39 0.24 -0.40 -4.95 118.33 110.78 3h02 n VAL 44 Ca -0.02 -3.34 -0.26 0.00 -2.04 0.00 0.00 64.34 58.68 3h02 n VAL 44 Cb 0.22 -0.51 0.04 0.00 -1.47 0.00 0.00 33.84 32.11 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 -1.02 -5.66 -2.77 7.34 1.74 -0.75 -2.15 116.66 113.40 3h02 n ARG 45 Ca 0.31 0.70 -0.20 0.00 -0.77 0.00 0.00 57.85 57.89 3h02 n ARG 45 Cb 0.85 -5.60 0.01 0.00 -1.02 0.00 0.00 32.46 26.70 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 -2.73 -5.16 -4.77 0.55 3.02 -0.44 -1.66 115.26 104.07 3h02 n ASN 46 Ca -0.00 -0.11 -0.36 0.00 -0.03 0.00 0.00 54.58 54.07 3h02 n ASN 46 Cb 0.55 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.97 2.81 0.04 5.41 0.00 -0.91 -3.98 121.76 122.16 3h02 s ALA 47 Ca 0.16 0.92 -0.00 0.00 0.00 0.00 0.00 51.96 53.04 3h02 s ALA 47 Cb -0.08 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3h02 s ALA 47 CO 0.20 -0.79 0.19 -0.59 0.00 0.00 0.00 175.76 174.77 3h02 s PHE 48 N -1.63 3.49 0.41 0.00 -0.12 -0.08 -4.88 117.98 115.18 3h02 s PHE 48 Ca 0.69 0.26 0.07 0.00 -0.05 0.00 0.00 56.93 57.90 3h02 s PHE 48 Cb -0.28 -1.77 -0.07 0.00 -0.63 0.00 0.00 43.02 40.28 3h02 s PHE 48 CO 0.32 0.60 0.09 -0.98 -0.05 0.00 0.00 175.22 175.20 3h02 s ARG 49 N -2.34 2.08 0.34 1.99 1.70 -1.26 -4.36 118.95 117.10 3h02 s ARG 49 Ca 0.32 -1.98 0.09 0.00 -0.47 0.00 0.00 55.73 53.70 3h02 s ARG 49 Cb -0.13 -1.80 0.84 0.00 -0.57 0.00 0.00 34.95 33.29 3h02 s ARG 49 CO 0.25 -0.08 1.80 -1.35 -1.08 0.00 0.00 175.30 174.84 3h02 h PRO 50 N 1.61 0.64 -0.34 3.89 0.11 -2.00 0.82 132.00 136.74 3h02 h PRO 50 Ca -0.43 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3h02 h PRO 50 Cb 1.25 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3h02 h PRO 50 CO 0.76 0.42 -0.14 1.25 -0.21 0.00 0.00 178.00 180.08 3h02 h LEU 51 N 0.66 0.59 -0.79 2.35 5.85 -1.99 -1.70 115.31 120.29 3h02 h LEU 51 Ca 0.55 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 3h02 h LEU 51 Cb 1.00 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 3h02 h LEU 51 CO -0.33 0.76 0.46 0.74 -0.34 0.00 0.00 178.44 179.73 3h02 h THR 52 N 0.55 1.23 -0.48 1.05 2.02 -1.23 -1.27 112.91 114.78 3h02 h THR 52 Ca 0.10 -0.52 -0.11 0.00 0.77 0.00 0.00 66.41 66.65 3h02 h THR 52 Cb 0.56 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3h02 h THR 52 CO 0.04 0.24 -0.11 0.58 0.37 0.00 0.00 175.52 176.64 3h02 h VAL 53 N 1.08 1.27 -0.68 3.16 2.07 -1.12 -2.75 116.25 119.28 3h02 h VAL 53 Ca 0.28 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.57 3h02 h VAL 53 Cb -0.01 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3h02 h VAL 53 CO -0.05 0.43 0.45 0.50 0.02 0.00 0.00 177.57 178.92 3h02 h LYS 54 N 0.78 0.90 -1.21 1.57 3.64 -0.90 0.10 116.57 121.45 3h02 h LYS 54 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3h02 h LYS 54 Cb 0.66 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3h02 h LYS 54 CO 0.05 0.59 0.00 0.39 -2.27 0.00 0.00 179.45 178.21 3h02 n GLU 55 N -4.61 0.31 0.00 1.90 1.02 -0.52 -1.75 120.64 116.99 3h02 n GLU 55 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3h02 n GLU 55 Cb 0.02 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.67 0.00 -0.17 -3.67 5.41 0.35 -1.08 119.36 120.87 3h02 n ILE 57 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3h02 n ILE 57 Cb 0.13 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.07 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 0.71 -0.57 0.38 4.15 -1.59 -1.41 115.11 116.78 3h02 h GLN 58 Ca 0.00 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.22 3h02 h GLN 58 Cb 0.00 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3h02 h GLN 58 CO 0.00 0.57 -0.07 0.00 -1.93 0.00 0.00 178.83 177.40 3h02 h ALA 59 N 1.10 0.80 -0.20 3.38 0.00 -1.38 -1.38 119.26 121.56 3h02 h ALA 59 Ca 0.18 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3h02 h ALA 59 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h02 h ALA 59 CO -0.03 0.67 -0.24 1.25 0.00 0.00 0.00 179.25 180.91 3h02 h LEU 60 N 0.94 0.37 -0.45 0.00 5.85 -1.77 -0.88 115.31 119.37 3h02 h LEU 60 Ca 0.15 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 3h02 h LEU 60 Cb 0.64 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3h02 h LEU 60 CO 0.04 0.62 -0.20 0.00 -0.34 0.00 0.00 178.44 178.56 3h02 h ALA 61 N 1.42 0.63 -0.30 1.25 0.00 -1.00 -0.56 119.26 120.69 3h02 h ALA 61 Ca 0.05 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3h02 h ALA 61 Cb 0.61 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3h02 h ALA 61 CO 0.04 0.61 0.16 0.22 0.00 0.00 0.00 179.25 180.28 3h02 h ASP 62 N 0.77 0.25 -0.80 0.00 3.58 -0.65 -1.12 116.42 118.46 3h02 h ASP 62 Ca 0.10 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 3h02 h ASP 62 Cb 0.78 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 3h02 h ASP 62 CO 0.06 0.19 0.36 0.00 -2.88 0.00 0.00 179.24 176.97 3h02 h ALA 63 N 1.15 1.04 -0.75 -0.78 0.00 -0.96 0.78 119.26 119.74 3h02 h ALA 63 Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3h02 h ALA 63 Cb 0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3h02 h ALA 63 CO -0.07 0.63 0.48 -0.09 0.00 0.00 0.00 179.25 180.20 3h02 h ARG 64 N 1.15 0.93 -0.01 0.00 2.43 -0.80 -2.60 114.38 115.49 3h02 h ARG 64 Ca 0.27 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3h02 h ARG 64 Cb 0.16 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3h02 h ARG 64 CO -0.03 0.62 -0.10 0.66 -1.51 0.00 0.00 179.97 179.60 3h02 n TYR 65 N -4.60 0.00 -2.97 2.20 4.02 -0.45 -4.73 117.16 110.62 3h02 n TYR 65 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.54 3h02 n TYR 65 Cb 0.06 -0.10 -0.05 0.00 -0.02 0.00 0.00 39.34 39.22 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 -2.31 6.33 0.60 7.72 -1.08 0.21 -4.91 116.67 123.23 3h02 s ASP 66 Ca 0.32 -0.41 0.29 0.00 -0.52 0.00 0.00 52.55 52.23 3h02 s ASP 66 Cb 0.20 -2.38 1.54 0.00 -1.46 0.00 0.00 42.92 40.83 3h02 s ASP 66 CO 0.44 -1.02 1.94 -0.78 0.52 0.00 0.00 175.17 176.27 3h02 h ASP 67 N 9.11 0.00 0.40 -0.34 3.58 -1.85 0.23 116.42 127.56 3h02 h ASP 67 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3h02 h ASP 67 Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.13 3h02 h ASP 67 CO 1.01 0.00 -0.31 -3.20 -2.88 0.00 0.00 179.24 173.85 3h02 n ASN 68 N -3.58 0.68 -4.72 2.28 5.15 -1.26 -4.82 115.26 108.99 3h02 n ASN 68 Ca 0.05 -0.51 -0.37 0.00 -0.60 0.00 0.00 54.58 53.15 3h02 n ASN 68 Cb 0.55 0.11 -0.07 0.00 -0.53 0.00 0.00 39.78 39.84 3h02 n ASN 68 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3h02 s VAL 69 N -2.72 5.25 -0.05 3.44 1.01 0.07 -4.16 120.40 123.23 3h02 s VAL 69 Ca 0.19 0.74 0.08 0.00 0.00 0.00 0.00 61.98 62.99 3h02 s VAL 69 Cb 0.19 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 32.73 3h02 s VAL 69 CO 0.58 0.35 0.10 0.61 0.00 0.00 0.00 175.10 176.74 3h02 n GLY 70 N 3.38 -0.38 3.06 4.51 0.00 0.05 -4.91 105.19 110.90 3h02 n GLY 70 Ca -0.09 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.37 0.06 -0.04 1.61 1.01 -1.13 -4.01 120.40 115.54 3h02 s VAL 71 Ca -0.03 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3h02 s VAL 71 Cb 0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 3h02 s VAL 71 CO 0.33 -0.29 -0.25 -0.63 0.00 0.00 0.00 175.10 174.26 3h02 s ILE 72 N -0.99 2.08 -0.12 2.22 1.09 -0.45 -1.74 121.20 123.31 3h02 s ILE 72 Ca -0.11 -1.08 -0.02 0.00 -1.10 0.00 0.00 60.65 58.35 3h02 s ILE 72 Cb -0.06 -1.73 -0.03 0.00 -1.06 0.00 0.00 42.46 39.58 3h02 s ILE 72 CO 0.01 0.58 -0.05 -0.63 -0.10 0.00 0.00 174.94 174.74 3h02 s ILE 73 N -0.42 3.81 -0.16 2.92 1.01 0.49 0.45 121.20 129.29 3h02 s ILE 73 Ca 0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 3h02 s ILE 73 Cb -0.12 -2.62 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 3h02 s ILE 73 CO 0.01 0.54 -0.14 -0.22 0.00 0.00 0.00 174.94 175.14 3h02 s LEU 74 N -0.16 2.55 0.30 2.97 2.96 -0.07 -0.52 118.68 126.72 3h02 s LEU 74 Ca 0.03 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3h02 s LEU 74 Cb -0.13 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 3h02 s LEU 74 CO 0.03 0.08 0.42 0.28 -1.32 0.00 0.00 176.35 175.83 3h02 s THR 75 N 0.86 0.00 0.08 3.68 -1.32 -0.67 -4.33 115.64 113.94 3h02 s THR 75 Ca -0.04 -1.63 0.07 0.00 -1.21 0.00 0.00 61.69 58.88 3h02 s THR 75 Cb -0.15 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.28 3h02 s THR 75 CO -0.00 0.00 -0.14 -0.83 -2.21 0.00 0.00 174.62 171.44 3h02 s GLY 76 N -3.19 1.71 0.33 6.08 0.00 -1.24 -1.14 107.32 109.87 3h02 s GLY 76 Ca 0.30 -1.24 -0.29 0.00 0.00 0.00 0.00 44.72 43.50 3h02 s GLY 76 CO 0.17 -1.18 1.41 1.85 0.00 0.00 0.00 173.10 175.35 3h02 s GLU 77 N -1.92 4.24 0.82 2.90 2.56 0.55 -4.79 118.70 123.06 3h02 s GLU 77 Ca 0.18 2.37 0.00 0.00 0.00 0.00 0.00 54.97 57.53 3h02 s GLU 77 Cb -0.11 -3.04 0.00 0.00 2.00 0.00 0.00 34.13 32.98 3h02 s GLU 77 CO 0.10 -0.37 0.00 0.41 -0.56 0.00 0.00 175.26 174.84 3h02 n GLY 78 N 1.00 -2.10 0.40 -1.50 0.00 -1.26 -4.58 105.19 97.14 3h02 n GLY 78 Ca 0.02 -1.50 0.06 0.00 0.00 0.00 0.00 46.02 44.60 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 0.75 1.73 0.01 1.61 8.00 -1.26 -4.67 116.55 122.72 3h02 n ASP 79 Ca 0.00 -1.36 0.02 0.00 0.71 0.00 0.00 54.79 54.16 3h02 n ASP 79 Cb 0.00 0.25 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.25 0.64 -3.69 -1.24 5.02 -1.26 -3.38 118.16 114.49 3h02 n LYS 80 Ca 0.06 0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 3h02 n LYS 80 Cb 0.30 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 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 -3.04 -1.34 -0.14 7.82 0.00 -1.18 -1.88 121.76 122.00 3h02 s ALA 81 Ca -0.05 1.47 -0.08 0.00 0.00 0.00 0.00 51.96 53.30 3h02 s ALA 81 Cb 0.09 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3h02 s ALA 81 CO 0.83 -0.26 -0.08 0.35 0.00 0.00 0.00 175.76 176.60 3h02 h PHE 82 N 5.14 0.00 -1.08 0.00 3.57 -0.55 -3.38 116.94 120.64 3h02 h PHE 82 Ca -0.28 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.39 3h02 h PHE 82 Cb 1.17 0.00 -0.24 0.00 2.79 0.00 0.00 35.95 39.67 3h02 h PHE 82 CO 0.40 0.14 0.24 0.00 -2.23 0.00 0.00 178.31 176.86 3h02 n ALA 84 N 4.82 2.46 0.00 0.00 0.00 -0.66 -1.76 120.51 125.38 3h02 n ALA 84 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3h02 n ALA 84 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 1.26 0.34 0.00 0.00 0.00 -1.04 -4.51 105.19 101.24 3h02 n GLY 85 Ca 0.17 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 1.45 0.00 -0.02 0.00 -1.26 -0.90 105.19 104.46 3h02 n GLY 86 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3h02 n GLY 86 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3h02 n HIS 104 N 0.00 0.00 -3.10 1.61 -0.00 -1.26 -4.43 115.22 108.04 3h02 n HIS 104 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 3h02 n HIS 104 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 3h02 n HIS 104 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3h02 s HIS 105 N -2.12 3.74 -0.61 -1.40 5.65 -1.26 -4.97 115.29 114.32 3h02 s HIS 105 Ca 0.00 1.43 0.01 0.00 0.25 0.00 0.00 55.06 56.74 3h02 s HIS 105 Cb 0.00 -2.63 0.43 0.00 -1.18 0.00 0.00 32.58 29.19 3h02 s HIS 105 CO 0.00 0.42 1.77 1.28 -0.65 0.00 0.00 174.74 177.56 3h02 n LEU 106 N 1.09 6.82 0.18 8.88 4.77 -1.26 -4.74 117.00 132.73 3h02 n LEU 106 Ca -0.04 -4.60 0.13 0.00 -0.03 0.00 0.00 56.01 51.47 3h02 n LEU 106 Cb 0.50 -0.82 0.64 0.00 -2.33 0.00 0.00 43.42 41.41 3h02 n LEU 106 CO 0.44 1.74 0.88 -0.55 -1.33 0.00 0.00 177.39 178.57 3h02 h ASN 107 N 2.32 0.00 0.20 -1.43 -1.07 -1.95 -1.49 115.58 112.16 3h02 h ASN 107 Ca 0.52 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.88 3h02 h ASN 107 Cb 0.79 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.04 3h02 h ASN 107 CO 1.32 0.00 -0.08 1.62 0.07 0.00 0.00 177.43 180.36 3h02 h VAL 108 N 0.00 0.61 -0.45 6.14 3.04 -1.95 0.29 116.25 123.93 3h02 h VAL 108 Ca 0.00 -0.32 -0.04 0.00 -1.01 0.00 0.00 66.70 65.33 3h02 h VAL 108 Cb 0.10 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 30.56 3h02 h VAL 108 CO 0.00 0.07 0.13 -0.07 -1.01 0.00 0.00 177.57 176.69 3h02 h LEU 109 N 0.00 0.61 -0.69 3.16 3.38 -1.68 -0.72 115.31 119.37 3h02 h LEU 109 Ca -0.00 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 3h02 h LEU 109 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3h02 h LEU 109 CO 0.01 0.60 -0.31 0.44 0.09 0.00 0.00 178.44 179.26 3h02 h ASP 110 N 0.65 0.68 -0.28 -0.43 3.32 -1.13 -2.83 116.42 116.41 3h02 h ASP 110 Ca 0.15 -0.27 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 3h02 h ASP 110 Cb 0.22 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3h02 h ASP 110 CO -0.01 0.95 -0.21 0.15 -1.72 0.00 0.00 179.24 178.40 3h02 h PHE 111 N 0.56 0.84 -0.61 4.55 3.57 -0.93 -2.07 116.94 122.86 3h02 h PHE 111 Ca 0.06 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 3h02 h PHE 111 Cb 0.82 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 3h02 h PHE 111 CO 0.04 0.89 0.35 1.96 -2.23 0.00 0.00 178.31 179.32 3h02 h GLN 112 N 0.65 0.83 -0.59 1.11 4.20 -1.07 -1.56 115.11 118.69 3h02 h GLN 112 Ca 0.09 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3h02 h GLN 112 Cb 0.71 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3h02 h GLN 112 CO 0.05 0.62 0.16 0.00 -0.67 0.00 0.00 178.83 178.99 3h02 h ARG 113 N 0.82 0.94 -0.81 1.46 3.08 -1.36 -2.22 114.38 116.29 3h02 h ARG 113 Ca 0.22 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3h02 h ARG 113 Cb 0.02 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3h02 h ARG 113 CO -0.04 0.86 0.45 0.37 -1.07 0.00 0.00 179.97 180.54 3h02 h GLN 114 N 0.85 1.12 -0.41 0.04 4.15 -0.89 0.22 115.11 120.19 3h02 h GLN 114 Ca 0.19 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 3h02 h GLN 114 Cb 0.33 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3h02 h GLN 114 CO -0.00 0.82 0.20 0.82 -1.93 0.00 0.00 178.83 178.73 3h02 h ILE 115 N 1.13 1.18 -0.42 2.39 2.04 -1.18 -1.36 117.51 121.28 3h02 h ILE 115 Ca 0.29 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.67 3h02 h ILE 115 Cb 0.02 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3h02 h ILE 115 CO -0.05 0.19 0.24 -0.09 0.00 0.00 0.00 178.15 178.44 3h02 h ARG 116 N 0.52 0.47 -0.01 2.37 9.65 -0.63 -2.88 114.38 123.87 3h02 h ARG 116 Ca 0.14 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3h02 h ARG 116 Cb 0.12 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 3h02 h ARG 116 CO -0.02 0.31 -0.13 0.25 2.80 0.00 0.00 179.97 183.18 3h02 n THR 117 N -4.87 0.00 -1.92 0.20 -2.24 0.65 -4.87 114.28 101.22 3h02 n THR 117 Ca 0.02 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3h02 n THR 117 Cb 0.08 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 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 5.03 0.65 -4.62 0.00 -0.04 -1.26 -4.70 135.00 130.06 3h02 n PRO 119 Ca 0.15 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 3h02 n PRO 119 Cb 0.40 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.17 2.66 0.50 0.54 1.02 -1.26 -4.08 119.74 116.96 3h02 s LYS 120 Ca 0.33 -0.61 -0.23 0.00 0.02 0.00 0.00 55.97 55.48 3h02 s LYS 120 Cb 0.17 -2.54 -0.07 0.00 -0.52 0.00 0.00 37.83 34.87 3h02 s LYS 120 CO 0.31 0.64 1.35 -2.30 -0.92 0.00 0.00 175.35 174.43 3h02 n PRO 121 N 2.07 1.86 -4.54 -1.68 -0.02 -1.26 -4.79 135.00 126.64 3h02 n PRO 121 Ca -0.17 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.66 3h02 n PRO 121 Cb 0.53 -2.54 -0.16 0.00 -0.02 0.00 0.00 33.50 31.30 3h02 n PRO 121 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h02 s VAL 122 N -1.26 1.96 -0.17 -1.45 1.01 -1.26 -1.33 120.40 117.89 3h02 s VAL 122 Ca 0.67 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3h02 s VAL 122 Cb -0.44 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3h02 s VAL 122 CO 0.53 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 175.38 3h02 s VAL 123 N 0.93 3.18 0.00 2.92 1.01 0.17 -0.65 120.40 127.96 3h02 s VAL 123 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3h02 s VAL 123 Cb -0.15 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.84 3h02 s VAL 123 CO -0.04 0.48 0.00 0.00 0.00 0.00 0.00 175.10 175.54 3h02 n ALA 124 N 4.14 0.00 0.00 5.51 0.00 -0.18 -0.89 120.51 129.09 3h02 n ALA 124 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 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 -1.57 0.00 -4.85 0.00 0.31 0.40 -0.27 118.33 112.35 3h02 n VAL 126 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 3h02 n VAL 126 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 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 2.58 0.00 3.52 0.00 -1.26 -0.73 121.76 125.86 3h02 s ALA 127 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3h02 s ALA 127 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 22.00 3h02 s ALA 127 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.48 3h02 n GLY 128 N 3.29 0.71 3.70 0.00 0.00 -1.22 -2.22 105.19 109.45 3h02 n GLY 128 Ca -0.18 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 3.13 -0.44 1.61 2.02 -0.79 -0.51 117.35 122.37 3h02 s TYR 129 Ca 0.00 0.97 0.02 0.00 -0.37 0.00 0.00 57.07 57.69 3h02 s TYR 129 Cb 0.00 -3.62 0.13 0.00 -0.40 0.00 0.00 41.96 38.07 3h02 s TYR 129 CO 0.00 -2.20 0.24 0.45 -1.57 0.00 0.00 175.55 172.47 3h02 s SER 130 N 1.40 3.68 0.05 2.29 0.15 0.55 -0.91 113.70 120.91 3h02 s SER 130 Ca 0.63 -2.63 0.05 0.00 0.70 0.00 0.00 55.95 54.70 3h02 s SER 130 Cb -0.33 -1.06 -0.02 0.00 -1.71 0.00 0.00 66.02 62.89 3h02 s SER 130 CO 0.29 -0.27 -0.15 -0.63 1.20 0.00 0.00 173.24 173.68 3h02 s ILE 131 N 0.34 1.18 0.00 6.45 -1.09 -0.72 -2.63 121.20 124.72 3h02 s ILE 131 Ca 0.17 -1.09 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 3h02 s ILE 131 Cb -0.25 -1.07 0.00 0.00 -1.58 0.00 0.00 42.46 39.56 3h02 s ILE 131 CO 0.00 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 3h02 n GLY 132 N 1.76 3.60 0.24 6.18 0.00 -0.49 -1.07 105.19 115.41 3h02 n GLY 132 Ca -0.19 -0.07 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 -1.88 -0.19 103.07 102.98 3h02 h GLY 133 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3h02 h GLY 133 CO 0.00 0.00 -0.38 -1.33 0.00 0.00 0.00 176.54 174.83 3h02 h GLY 134 N 0.57 0.00 0.85 4.60 0.00 -1.24 -1.82 103.07 106.03 3h02 h GLY 134 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3h02 h GLY 134 CO 0.02 0.00 -0.60 0.84 0.00 0.00 0.00 176.54 176.80 3h02 h HIS 135 N 0.00 0.67 -0.81 5.60 6.17 -0.98 -2.81 115.15 122.99 3h02 h HIS 135 Ca -0.00 -0.34 0.05 0.00 0.71 0.00 0.00 60.37 60.78 3h02 h HIS 135 Cb 0.81 -0.09 -0.05 0.00 2.52 0.00 0.00 27.41 30.61 3h02 h HIS 135 CO 0.00 1.15 0.53 0.28 0.71 0.00 0.00 177.93 180.60 3h02 h VAL 136 N 0.01 1.09 -0.42 5.26 2.07 -1.31 -2.64 116.25 120.31 3h02 h VAL 136 Ca -0.07 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3h02 h VAL 136 Cb 1.29 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3h02 h VAL 136 CO 0.12 0.17 0.24 -0.07 0.02 0.00 0.00 177.57 178.05 3h02 h LEU 137 N 0.95 0.52 -8.15 2.57 3.38 -1.22 -3.43 115.31 109.93 3h02 h LEU 137 Ca 0.33 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 58.00 3h02 h LEU 137 Cb 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3h02 h LEU 137 CO -0.11 0.45 0.62 -1.38 0.09 0.00 0.00 178.44 178.11 3h02 s HIS 138 N -5.89 1.65 0.00 1.13 -3.43 -1.00 -5.00 115.29 102.75 3h02 s HIS 138 Ca -0.13 1.06 0.00 0.00 -0.80 0.00 0.00 55.06 55.19 3h02 s HIS 138 Cb 0.11 -3.82 0.00 0.00 -1.43 0.00 0.00 32.58 27.44 3h02 s HIS 138 CO 0.74 -1.38 0.00 0.00 -2.00 0.00 0.00 174.74 172.09 3h02 h ASP 142 N 0.00 0.84 -4.21 0.00 3.32 -1.26 -3.44 116.42 111.66 3h02 h ASP 142 Ca 0.00 -0.06 -0.33 0.00 0.02 0.00 0.00 57.03 56.66 3h02 h ASP 142 Cb 0.00 -0.21 -0.17 0.00 0.22 0.00 0.00 39.33 39.17 3h02 h ASP 142 CO 0.00 0.65 -0.73 -0.76 -1.72 0.00 0.00 179.24 176.68 3h02 s LEU 143 N -10.04 2.45 -0.07 1.55 1.43 -1.17 -5.05 118.68 107.78 3h02 s LEU 143 Ca -0.13 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 3h02 s LEU 143 Cb 0.14 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 46.04 3h02 s LEU 143 CO 0.78 -0.28 -0.06 -0.89 0.23 0.00 0.00 176.35 176.14 3h02 s THR 144 N -2.73 0.75 -0.24 5.49 2.01 -1.26 -1.01 115.64 118.64 3h02 s THR 144 Ca 0.10 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 3h02 s THR 144 Cb -0.01 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 3h02 s THR 144 CO 0.00 0.30 0.02 -0.63 -0.69 0.00 0.00 174.62 173.62 3h02 s ILE 145 N 1.32 3.90 0.01 1.82 -1.09 0.63 -1.15 121.20 126.63 3h02 s ILE 145 Ca -0.04 -0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.09 3h02 s ILE 145 Cb -0.14 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 3h02 s ILE 145 CO -0.03 0.36 -0.10 0.00 -1.23 0.00 0.00 174.94 173.95 3h02 s ALA 146 N 1.55 2.90 0.59 9.38 0.00 -0.58 -0.45 121.76 135.15 3h02 s ALA 146 Ca 0.06 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 3h02 s ALA 146 Cb -0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 3h02 s ALA 146 CO 0.01 0.60 0.96 0.00 0.00 0.00 0.00 175.76 177.32 3h02 s ALA 147 N -0.96 3.18 0.63 0.00 0.00 0.09 -1.19 121.76 123.51 3h02 s ALA 147 Ca 0.16 -0.32 0.41 0.00 0.00 0.00 0.00 51.96 52.21 3h02 s ALA 147 Cb -0.11 -2.88 2.26 0.00 0.00 0.00 0.00 23.12 22.39 3h02 s ALA 147 CO 0.06 -0.68 2.33 1.49 0.00 0.00 0.00 175.76 178.97 3h02 h GLU 148 N -0.20 0.00 -0.60 0.00 4.22 -1.27 -1.22 114.58 115.51 3h02 h GLU 148 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 3h02 h GLU 148 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3h02 h GLU 148 CO 0.62 0.00 0.00 0.27 -2.18 0.00 0.00 179.01 177.72 3h02 n ASN 149 N -3.27 3.44 -4.77 1.04 6.94 -1.26 -4.47 115.26 112.92 3h02 n ASN 149 Ca -0.03 -2.16 -0.39 0.00 -0.02 0.00 0.00 54.58 51.98 3h02 n ASN 149 Cb 0.08 -0.44 -0.03 0.00 -2.36 0.00 0.00 39.78 37.03 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 -1.49 3.28 -0.07 -2.53 0.00 -0.46 -3.45 121.76 117.05 3h02 s ALA 150 Ca 0.39 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.31 3h02 s ALA 150 Cb 0.23 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 20.01 3h02 s ALA 150 CO 0.23 -0.34 -0.14 0.42 0.00 0.00 0.00 175.76 175.93 3h02 s ILE 151 N -1.32 1.26 0.13 0.00 -1.09 0.34 -2.38 121.20 118.13 3h02 s ILE 151 Ca 0.51 -0.56 0.10 0.00 -2.23 0.00 0.00 60.65 58.47 3h02 s ILE 151 Cb -0.31 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.40 3h02 s ILE 151 CO 0.39 0.38 -0.24 -0.36 -1.23 0.00 0.00 174.94 173.88 3h02 s PHE 152 N 0.55 2.09 0.00 3.97 0.08 0.21 -0.33 117.98 124.54 3h02 s PHE 152 Ca -0.14 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.52 3h02 s PHE 152 Cb -0.15 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 3h02 s PHE 152 CO 0.04 0.30 0.00 0.41 -0.10 0.00 0.00 175.22 175.87 3h02 n GLY 153 N 0.88 2.55 3.99 4.36 0.00 -1.08 -0.34 105.19 115.55 3h02 n GLY 153 Ca -0.18 -1.17 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.04 3.06 0.00 1.61 -1.52 -1.26 -1.39 119.66 118.11 3h02 s GLN 154 Ca 0.00 -1.06 0.00 0.00 -1.95 0.00 0.00 55.36 52.35 3h02 s GLN 154 Cb 0.00 -2.80 0.00 0.00 -0.22 0.00 0.00 33.01 29.99 3h02 s GLN 154 CO 0.00 0.00 0.00 0.25 -0.25 0.00 0.00 175.29 175.29 3h02 n THR 155 N -1.67 0.00 -0.15 -0.19 -2.24 -1.26 -4.57 114.28 104.20 3h02 n THR 155 Ca 0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 3h02 n THR 155 Cb 0.58 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.00 -1.92 0.33 3.38 0.00 -1.26 0.21 105.19 105.93 3h02 n GLY 156 Ca 0.00 0.61 0.18 0.00 0.00 0.00 0.00 46.02 46.80 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 0.00 -0.17 1.61 0.11 -1.71 1.02 132.00 132.86 3h02 h PRO 157 Ca 0.06 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 3h02 h PRO 157 Cb 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3h02 h PRO 157 CO -0.33 0.00 -0.16 -0.22 -0.21 0.00 0.00 178.00 177.08 3h02 h LYS 158 N 0.00 0.28 0.00 1.05 3.64 -0.55 -2.76 116.57 118.24 3h02 h LYS 158 Ca 0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3h02 h LYS 158 Cb 0.29 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3h02 h LYS 158 CO -0.00 0.45 -1.16 0.28 -2.27 0.00 0.00 179.45 176.74 3h02 n VAL 159 N -4.23 0.00 0.00 2.00 0.31 0.14 -4.99 118.33 111.56 3h02 n VAL 159 Ca -0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3h02 n VAL 159 Cb 0.30 0.71 0.00 0.00 -0.91 0.00 0.00 33.84 33.95 3h02 n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h02 n GLY 160 N 1.43 0.60 3.96 2.92 0.00 0.30 -5.07 105.19 109.33 3h02 n GLY 160 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3h02 n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h02 s SER 161 N -1.83 4.50 -0.18 1.61 0.15 -0.13 -4.80 113.70 113.01 3h02 s SER 161 Ca 0.00 0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.45 3h02 s SER 161 Cb 0.00 -0.62 0.14 0.00 -1.71 0.00 0.00 66.02 63.83 3h02 s SER 161 CO 0.00 -1.77 1.08 0.72 1.20 0.00 0.00 173.24 174.46 3h02 s PHE 162 N -3.23 -0.28 -0.58 3.44 -0.71 -1.26 -2.07 117.98 113.29 3h02 s PHE 162 Ca 0.64 0.45 -0.05 0.00 -1.04 0.00 0.00 56.93 56.93 3h02 s PHE 162 Cb -0.08 0.47 0.15 0.00 -1.21 0.00 0.00 43.02 42.35 3h02 s PHE 162 CO 0.45 -0.29 0.41 0.34 -1.34 0.00 0.00 175.22 174.79 3h02 s ASP 163 N -1.27 5.43 -0.08 1.98 -1.08 -1.26 -4.93 116.67 115.46 3h02 s ASP 163 Ca 0.02 -2.54 0.14 0.00 -0.52 0.00 0.00 52.55 49.64 3h02 s ASP 163 Cb -0.01 -1.90 0.54 0.00 -1.46 0.00 0.00 42.92 40.10 3h02 s ASP 163 CO -0.02 -0.47 1.42 0.61 0.52 0.00 0.00 175.17 177.24 3h02 n GLY 164 N 3.95 2.05 0.00 2.66 0.00 -1.26 -3.08 105.19 109.51 3h02 n GLY 164 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.96 0.66 0.30 -0.02 0.00 -1.26 -4.57 105.19 101.26 3h02 n GLY 165 Ca 0.19 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.04 1.61 6.55 -1.97 -2.45 115.95 119.64 3h02 h TRP 166 Ca 0.00 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.85 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 0.00 0.04 0.78 -1.05 0.00 0.00 178.44 178.21 3h02 h GLY 167 N 1.20 0.00 0.00 1.49 0.00 -1.87 -1.94 103.07 101.95 3h02 h GLY 167 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3h02 h GLY 167 CO 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 176.54 175.86 3h02 n ALA 168 N -2.43 1.97 -0.15 3.60 0.00 -0.97 -4.74 120.51 117.80 3h02 n ALA 168 Ca -0.02 -0.43 -0.06 0.00 0.00 0.00 0.00 53.44 52.93 3h02 n ALA 168 Cb 0.13 0.17 0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.49 0.46 0.00 0.00 4.64 -1.58 -1.91 113.55 114.67 3h02 h SER 169 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3h02 h SER 169 Cb 0.61 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3h02 h SER 169 CO -0.03 0.33 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 3h02 n TYR 170 N -4.82 0.00 0.00 4.77 9.36 -0.73 -2.34 117.16 123.41 3h02 n TYR 170 Ca 0.02 -0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.01 3h02 n TYR 170 Cb 0.06 -0.22 0.00 0.00 -0.63 0.00 0.00 39.34 38.55 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 1.19 0.00 0.67 2.98 0.00 -0.72 -2.22 120.51 122.41 3h02 n ALA 172 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3h02 n ALA 172 Cb 0.17 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.03 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 0.04 -0.11 0.00 5.12 -0.99 -0.76 116.66 119.95 3h02 n ARG 173 Ca 0.00 0.17 -0.19 0.00 -1.93 0.00 0.00 57.85 55.90 3h02 n ARG 173 Cb 0.00 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.74 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 -1.47 1.50 0.66 0.55 5.41 -0.94 -4.80 119.36 120.27 3h02 n ILE 174 Ca 0.05 -0.12 0.07 0.00 1.00 0.00 0.00 62.75 63.76 3h02 n ILE 174 Cb 0.21 -2.11 -0.02 0.00 -0.71 0.00 0.00 39.64 37.01 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 -4.34 0.00 0.00 1.39 0.24 -1.24 -4.79 118.33 109.59 3h02 n VAL 175 Ca -0.34 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3h02 n VAL 175 Cb 0.70 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.21 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 1.15 0.43 0.30 7.63 0.00 0.06 -4.45 105.19 110.30 3h02 n GLY 176 Ca 0.05 -1.75 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 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 0.97 -0.07 1.61 1.08 -2.00 -1.33 115.11 115.37 3h02 h GLN 177 Ca 0.00 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 56.91 3h02 h GLN 177 Cb 0.00 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3h02 h GLN 177 CO 0.00 0.94 0.01 0.87 -0.95 0.00 0.00 178.83 179.70 3h02 h LYS 178 N 0.89 0.11 -0.26 1.46 1.79 -1.97 -2.11 116.57 116.48 3h02 h LYS 178 Ca 0.17 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.53 3h02 h LYS 178 Cb 0.50 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 3h02 h LYS 178 CO 0.02 0.34 -0.18 0.87 -1.08 0.00 0.00 179.45 179.42 3h02 h LYS 179 N -0.13 0.47 -0.32 3.15 1.79 -1.76 -2.02 116.57 117.75 3h02 h LYS 179 Ca 0.02 -0.15 -0.08 0.00 -2.18 0.00 0.00 60.65 58.26 3h02 h LYS 179 Cb 0.28 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 3h02 h LYS 179 CO 0.00 0.63 -0.11 0.00 -1.08 0.00 0.00 179.45 178.90 3h02 h ALA 180 N 1.39 0.45 -0.66 3.86 0.00 -1.18 -0.69 119.26 122.43 3h02 h ALA 180 Ca 0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3h02 h ALA 180 Cb 0.56 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3h02 h ALA 180 CO 0.04 0.31 0.26 0.00 0.00 0.00 0.00 179.25 179.86 3h02 h ARG 181 N 0.42 0.97 -0.01 0.00 3.08 -1.32 -1.81 114.38 115.70 3h02 h ARG 181 Ca 0.08 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3h02 h ARG 181 Cb 0.62 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3h02 h ARG 181 CO 0.04 0.80 0.00 1.49 -1.07 0.00 0.00 179.97 181.23 3h02 h GLU 182 N 0.95 0.01 -0.61 0.04 4.81 -1.10 0.95 114.58 119.63 3h02 h GLU 182 Ca 0.22 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 3h02 h GLU 182 Cb 0.19 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 3h02 h GLU 182 CO -0.02 0.13 0.26 0.82 -0.73 0.00 0.00 179.01 179.47 3h02 h ILE 183 N -0.11 0.83 0.15 2.32 2.04 -0.80 -2.25 117.51 119.70 3h02 h ILE 183 Ca 0.00 -0.16 -0.22 0.00 1.00 0.00 0.00 64.86 65.48 3h02 h ILE 183 Cb 0.12 0.31 0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3h02 h ILE 183 CO -0.00 0.09 -0.96 -0.50 0.00 0.00 0.00 178.15 176.78 3h02 h TRP 184 N 0.48 0.68 -0.23 1.37 4.06 -1.27 -2.70 115.95 118.34 3h02 h TRP 184 Ca 0.30 -0.48 -0.15 0.00 2.06 0.00 0.00 58.89 60.62 3h02 h TRP 184 Cb 0.32 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3h02 h TRP 184 CO -0.14 1.36 -0.48 0.74 -3.56 0.00 0.00 178.44 176.36 3h02 h PHE 185 N -0.19 0.73 0.00 0.49 -1.00 -0.77 -3.34 116.94 112.86 3h02 h PHE 185 Ca -0.16 -0.24 -0.11 0.00 2.81 0.00 0.00 57.97 60.27 3h02 h PHE 185 Cb 1.74 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 41.13 3h02 h PHE 185 CO 0.17 0.96 -2.05 1.28 -1.61 0.00 0.00 178.31 177.07 3h02 n LEU 186 N -4.00 0.07 -3.60 1.54 4.32 -0.85 -5.01 117.00 109.46 3h02 n LEU 186 Ca -0.03 0.03 -0.26 0.00 -0.02 0.00 0.00 56.01 55.73 3h02 n LEU 186 Cb 0.57 0.14 0.05 0.00 -1.62 0.00 0.00 43.42 42.56 3h02 n LEU 186 CO 0.46 0.14 0.16 0.00 -1.22 0.00 0.00 177.39 176.93 3h02 s ARG 188 N -6.31 0.91 -0.03 0.00 0.52 -1.26 -4.79 118.95 107.97 3h02 s ARG 188 Ca 0.57 -0.02 -0.01 0.00 -0.52 0.00 0.00 55.73 55.75 3h02 s ARG 188 Cb -0.26 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 3h02 s ARG 188 CO 0.70 -2.30 0.03 -0.65 0.02 0.00 0.00 175.30 173.10 3h02 s GLN 189 N -5.56 2.96 -0.04 3.54 -0.21 -1.26 -4.33 119.66 114.76 3h02 s GLN 189 Ca 0.67 -0.48 0.06 0.00 0.02 0.00 0.00 55.36 55.63 3h02 s GLN 189 Cb -0.10 -2.79 -0.01 0.00 1.00 0.00 0.00 33.01 31.11 3h02 s GLN 189 CO 0.52 0.66 -0.23 0.71 -2.12 0.00 0.00 175.29 174.84 3h02 s TYR 190 N -1.05 2.18 0.89 0.91 2.02 0.54 -4.95 117.35 117.88 3h02 s TYR 190 Ca 0.18 -0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 3h02 s TYR 190 Cb -0.12 -1.43 0.18 0.00 -0.40 0.00 0.00 41.96 40.20 3h02 s TYR 190 CO 0.08 -0.15 1.22 0.16 -1.57 0.00 0.00 175.55 175.29 3h02 s ASP 191 N -0.25 3.46 0.27 2.29 1.47 -1.26 -0.62 116.67 122.02 3h02 s ASP 191 Ca 0.00 -0.00 -0.04 0.00 1.18 0.00 0.00 52.55 53.69 3h02 s ASP 191 Cb -0.12 -0.12 0.33 0.00 -0.34 0.00 0.00 42.92 42.67 3h02 s ASP 191 CO 0.02 -2.49 1.90 0.00 0.68 0.00 0.00 175.17 175.28 3h02 h ALA 192 N -1.29 1.28 -0.35 2.11 0.00 -1.69 -1.48 119.26 117.84 3h02 h ALA 192 Ca -0.41 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 3h02 h ALA 192 Cb 1.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3h02 h ALA 192 CO 0.37 0.61 -0.06 0.37 0.00 0.00 0.00 179.25 180.53 3h02 h GLN 193 N 1.16 0.65 -0.75 0.00 5.75 -1.90 -1.90 115.11 118.13 3h02 h GLN 193 Ca 0.30 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3h02 h GLN 193 Cb -0.02 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 3h02 h GLN 193 CO -0.05 0.81 0.44 1.96 -2.65 0.00 0.00 178.83 179.33 3h02 h GLN 194 N 0.44 1.02 -0.79 1.69 4.20 -1.87 0.69 115.11 120.49 3h02 h GLN 194 Ca 0.09 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3h02 h GLN 194 Cb 0.56 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 3h02 h GLN 194 CO 0.03 0.74 0.41 0.00 -0.67 0.00 0.00 178.83 179.33 3h02 h ALA 195 N 1.23 1.22 -0.21 3.87 0.00 -1.11 -2.94 119.26 121.32 3h02 h ALA 195 Ca 0.27 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3h02 h ALA 195 Cb -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3h02 h ALA 195 CO -0.05 0.61 -0.21 1.25 0.00 0.00 0.00 179.25 180.85 3h02 h LEU 196 N 1.12 0.55 -2.11 0.00 5.85 -0.84 -0.11 115.31 119.77 3h02 h LEU 196 Ca 0.28 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3h02 h LEU 196 Cb 0.07 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3h02 h LEU 196 CO -0.04 0.91 0.00 0.47 -0.34 0.00 0.00 178.44 179.44 3h02 n ASP 197 N -4.42 0.01 -0.20 1.25 8.00 0.19 -4.53 116.55 116.84 3h02 n ASP 197 Ca -0.05 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.39 3h02 n ASP 197 Cb 0.41 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 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 1.05 0.17 0.17 0.44 0.00 -1.08 -5.10 105.19 100.85 3h02 n GLY 199 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.32 -8.98 0.99 5.85 -1.25 -3.45 115.31 108.78 3h02 h LEU 200 Ca 0.00 -0.19 -0.52 0.00 0.84 0.00 0.00 57.88 58.01 3h02 h LEU 200 Cb 1.05 -0.09 -0.15 0.00 0.37 0.00 0.00 40.66 41.84 3h02 h LEU 200 CO 0.00 0.86 -0.76 0.68 -0.34 0.00 0.00 178.44 178.88 3h02 s VAL 201 N -3.76 2.01 0.03 1.05 -7.23 -1.17 -4.86 120.40 106.46 3h02 s VAL 201 Ca -0.04 -2.21 -0.09 0.00 -1.81 0.00 0.00 61.98 57.83 3h02 s VAL 201 Cb 0.12 -2.09 -0.31 0.00 0.56 0.00 0.00 36.38 34.66 3h02 s VAL 201 CO 0.81 -0.46 0.96 0.78 -0.31 0.00 0.00 175.10 176.87 3h02 h ASN 202 N 2.63 0.58 -5.04 4.85 4.21 -1.45 -3.43 115.58 117.93 3h02 h ASN 202 Ca -0.40 -0.69 -0.03 0.00 1.21 0.00 0.00 56.30 56.39 3h02 h ASN 202 Cb 1.23 -0.19 -0.12 0.00 -1.12 0.00 0.00 38.32 38.12 3h02 h ASN 202 CO 0.59 1.55 0.08 0.28 -1.29 0.00 0.00 177.43 178.64 3h02 s THR 203 N -2.62 0.03 -0.09 2.81 -1.32 -1.22 -5.07 115.64 108.16 3h02 s THR 203 Ca -0.08 -0.39 0.01 0.00 -1.21 0.00 0.00 61.69 60.02 3h02 s THR 203 Cb 0.06 -1.21 0.02 0.00 -1.51 0.00 0.00 72.50 69.86 3h02 s THR 203 CO 0.89 -0.13 -0.12 -0.69 -2.21 0.00 0.00 174.62 172.36 3h02 s VAL 204 N -3.80 1.25 0.15 5.08 1.01 -1.26 -1.53 120.40 121.30 3h02 s VAL 204 Ca 0.04 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3h02 s VAL 204 Cb -0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3h02 s VAL 204 CO -0.10 0.39 -0.07 0.68 0.00 0.00 0.00 175.10 176.00 3h02 s VAL 205 N 1.01 0.97 0.62 2.92 -7.23 -0.33 -4.93 120.40 113.43 3h02 s VAL 205 Ca -0.07 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 57.89 3h02 s VAL 205 Cb -0.15 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 3h02 s VAL 205 CO -0.01 -0.70 1.16 -2.65 -0.31 0.00 0.00 175.10 172.59 3h02 n PRO 206 N -0.19 1.08 -0.25 4.82 -0.02 -1.26 -0.84 135.00 138.35 3h02 n PRO 206 Ca -0.10 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.84 3h02 n PRO 206 Cb 0.61 -2.38 0.16 0.00 -0.02 0.00 0.00 33.50 31.87 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 0.60 0.31 -2.22 2.45 5.85 -1.93 -0.27 115.31 120.10 3h02 h LEU 207 Ca -0.50 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 3h02 h LEU 207 Cb 1.35 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 3h02 h LEU 207 CO 0.52 0.15 -0.06 0.00 -0.34 0.00 0.00 178.44 178.71 3h02 h ALA 208 N 1.50 1.27 -0.03 1.25 0.00 -2.03 -2.35 119.26 118.86 3h02 h ALA 208 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3h02 h ALA 208 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3h02 h ALA 208 CO -0.36 0.07 -0.05 -0.25 0.00 0.00 0.00 179.25 178.67 3h02 n ASP 209 N -3.55 2.71 -0.11 0.00 8.00 -0.16 -4.63 116.55 118.81 3h02 n ASP 209 Ca -0.02 -1.88 -0.06 0.00 0.71 0.00 0.00 54.79 53.54 3h02 n ASP 209 Cb 0.17 0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 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 4.19 -0.70 -0.25 0.64 5.85 -0.87 -0.10 115.31 124.07 3h02 h LEU 210 Ca 0.00 0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 3h02 h LEU 210 Cb 0.91 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3h02 h LEU 210 CO 0.00 -0.24 -0.19 -0.08 -0.34 0.00 0.00 178.44 177.59 3h02 h GLU 211 N -0.14 0.57 -0.30 1.25 4.81 -1.82 -1.09 114.58 117.86 3h02 h GLU 211 Ca 0.19 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3h02 h GLU 211 Cb 0.43 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3h02 h GLU 211 CO -0.47 0.86 -0.10 1.57 -0.73 0.00 0.00 179.01 180.13 3h02 h LYS 212 N 0.29 0.50 -0.10 1.92 2.10 -1.80 0.50 116.57 119.98 3h02 h LYS 212 Ca 0.05 -0.14 -0.03 0.00 -2.00 0.00 0.00 60.65 58.53 3h02 h LYS 212 Cb 0.73 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.00 3h02 h LYS 212 CO 0.05 0.61 -0.07 1.49 -2.00 0.00 0.00 179.45 179.53 3h02 h GLU 213 N 0.47 0.22 -0.62 0.07 4.57 -0.94 -1.21 114.58 117.13 3h02 h GLU 213 Ca 0.09 -0.10 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 3h02 h GLU 213 Cb 0.47 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 3h02 h GLU 213 CO 0.03 0.60 0.36 1.15 -1.18 0.00 0.00 179.01 179.97 3h02 h THR 214 N -0.17 1.03 -0.70 0.32 2.02 -0.91 -1.16 112.91 113.34 3h02 h THR 214 Ca 0.02 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3h02 h THR 214 Cb 0.55 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3h02 h THR 214 CO 0.02 0.13 0.32 0.58 0.37 0.00 0.00 175.52 176.94 3h02 h VAL 215 N 0.70 1.24 -0.21 3.16 2.07 -0.90 -0.88 116.25 121.43 3h02 h VAL 215 Ca 0.26 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.13 3h02 h VAL 215 Cb 0.08 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3h02 h VAL 215 CO -0.13 0.28 0.02 -0.09 0.02 0.00 0.00 177.57 177.67 3h02 h ARG 216 N 0.98 0.09 -0.67 1.57 2.43 -0.50 0.82 114.38 119.10 3h02 h ARG 216 Ca 0.24 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3h02 h ARG 216 Cb 0.14 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 3h02 h ARG 216 CO -0.03 0.06 0.44 -1.49 -1.51 0.00 0.00 179.97 177.44 3h02 h TRP 217 N 0.09 0.83 -0.51 2.20 4.06 -0.86 -1.09 115.95 120.67 3h02 h TRP 217 Ca 0.10 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.08 3h02 h TRP 217 Cb 0.11 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 27.96 3h02 h TRP 217 CO -0.16 0.51 0.31 0.00 -3.56 0.00 0.00 178.44 175.54 3h02 h ARG 219 N 0.63 0.15 -1.22 0.00 3.08 -0.35 0.15 114.38 116.82 3h02 h ARG 219 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3h02 h ARG 219 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3h02 h ARG 219 CO -0.08 0.34 0.00 0.39 -1.07 0.00 0.00 179.97 179.55 3h02 n GLU 220 N -4.25 0.44 0.00 0.04 1.02 -0.46 -2.15 120.64 115.28 3h02 n GLU 220 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3h02 n GLU 220 Cb 0.29 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.63 0.00 -0.03 -4.62 4.77 0.54 -3.81 117.00 114.47 3h02 n LEU 222 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3h02 n LEU 222 Cb 0.19 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.70 3h02 n LEU 222 CO 0.00 0.00 0.68 0.00 -1.33 0.00 0.00 177.39 176.74 3h02 n GLN 223 N 0.00 0.15 -3.03 3.23 1.13 -0.91 -4.91 117.38 113.04 3h02 n GLN 223 Ca 0.00 -0.07 -0.20 0.00 -1.94 0.00 0.00 57.00 54.79 3h02 n GLN 223 Cb 0.00 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 28.86 3h02 n GLN 223 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3h02 s ASN 224 N -2.89 5.69 0.02 1.08 0.01 -1.25 -5.03 114.94 112.58 3h02 s ASN 224 Ca 0.15 -0.07 -0.30 0.00 -0.71 0.00 0.00 52.86 51.93 3h02 s ASN 224 Cb 0.18 -1.09 -0.08 0.00 0.41 0.00 0.00 41.25 40.67 3h02 s ASN 224 CO 0.60 -0.75 1.92 -0.55 -1.51 0.00 0.00 177.10 176.81 3h02 s SER 225 N -4.29 6.48 0.00 -1.22 0.15 -1.26 -4.99 113.70 108.58 3h02 s SER 225 Ca 0.51 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.77 3h02 s SER 225 Cb -0.10 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 3h02 s SER 225 CO 0.35 -1.03 0.43 -0.81 1.20 0.00 0.00 173.24 173.38 3h02 n PRO 226 N 7.46 0.28 0.00 5.44 -0.04 -1.26 -1.85 135.00 145.03 3h02 n PRO 226 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3h02 n PRO 226 Cb 0.41 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.40 0.00 -0.17 0.55 0.00 -1.26 -1.54 120.51 119.49 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 0.14 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 0.67 -0.63 0.00 3.38 -1.75 -0.62 115.31 116.37 3h02 h LEU 229 Ca 0.00 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3h02 h LEU 229 Cb 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3h02 h LEU 229 CO 0.00 0.66 0.12 0.08 0.09 0.00 0.00 178.44 179.40 3h02 h ARG 230 N 0.65 1.02 -0.64 1.13 0.11 -1.43 0.75 114.38 115.97 3h02 h ARG 230 Ca 0.16 -0.26 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 3h02 h ARG 230 Cb 0.20 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.13 3h02 h ARG 230 CO -0.01 0.94 0.32 0.00 0.10 0.00 0.00 179.97 181.31 3h02 h LEU 232 N 0.88 0.62 -0.50 0.00 3.38 -0.84 -0.37 115.31 118.49 3h02 h LEU 232 Ca 0.22 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3h02 h LEU 232 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3h02 h LEU 232 CO -0.03 0.95 0.10 0.50 0.09 0.00 0.00 178.44 180.05 3h02 h LYS 233 N 0.49 0.82 -0.51 1.13 3.64 -0.64 -0.85 116.57 120.64 3h02 h LYS 233 Ca 0.04 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 3h02 h LYS 233 Cb 0.90 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3h02 h LYS 233 CO 0.08 0.81 0.05 0.00 -2.27 0.00 0.00 179.45 178.11 3h02 h ALA 234 N 0.98 1.12 -0.47 5.00 0.00 -1.10 -0.63 119.26 124.16 3h02 h ALA 234 Ca 0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3h02 h ALA 234 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3h02 h ALA 234 CO 0.01 0.57 0.10 0.00 0.00 0.00 0.00 179.25 179.93 3h02 h ALA 235 N 1.27 0.62 -0.45 0.00 0.00 -0.78 0.60 119.26 120.52 3h02 h ALA 235 Ca 0.16 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3h02 h ALA 235 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3h02 h ALA 235 CO 0.01 0.33 -0.18 -0.07 0.00 0.00 0.00 179.25 179.34 3h02 h LEU 236 N 0.64 0.87 -1.13 0.00 3.38 -0.96 -2.70 115.31 115.41 3h02 h LEU 236 Ca 0.15 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3h02 h LEU 236 Cb 0.35 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3h02 h LEU 236 CO 0.00 1.04 -0.13 0.78 0.09 0.00 0.00 178.44 180.22 3h02 h ASN 237 N 0.76 0.44 0.33 -0.43 2.35 -0.85 -2.84 115.58 115.34 3h02 h ASN 237 Ca 0.11 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3h02 h ASN 237 Cb 0.71 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 3h02 h ASN 237 CO 0.05 0.61 -0.05 0.00 -1.65 0.00 0.00 177.43 176.39 3h02 h ALA 238 N 1.44 1.19 0.00 -0.83 0.00 -0.55 0.98 119.26 121.50 3h02 h ALA 238 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h02 h ALA 238 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3h02 h ALA 238 CO 0.03 0.07 0.00 -3.47 0.00 0.00 0.00 179.25 175.88 3h02 n ASP 239 N -3.43 0.36 -0.03 0.00 2.03 -1.07 -4.05 116.55 110.37 3h02 n ASP 239 Ca -0.02 0.56 -0.04 0.00 0.52 0.00 0.00 54.79 55.81 3h02 n ASP 239 Cb 0.19 -0.65 -0.02 0.00 -0.72 0.00 0.00 41.12 39.91 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 -2.79 4.05 0.00 0.00 8.00 0.11 -5.04 116.55 120.88 3h02 n ASP 241 Ca -0.10 -2.86 0.00 0.00 0.71 0.00 0.00 54.79 52.54 3h02 n ASP 241 Cb 0.59 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.01 2.68 0.22 0.44 0.00 -1.26 -1.41 105.19 105.85 3h02 n GLY 242 Ca 0.29 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 0.02 -0.77 1.61 4.20 -1.96 -1.07 115.11 117.15 3h02 h GLN 243 Ca 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3h02 h GLN 243 Cb 0.00 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3h02 h GLN 243 CO 0.00 0.22 0.42 0.00 -0.67 0.00 0.00 178.83 178.80 3h02 h ALA 244 N 1.78 1.30 -0.02 3.87 0.00 -1.67 0.16 119.26 124.69 3h02 h ALA 244 Ca 0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 3h02 h ALA 244 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h02 h ALA 244 CO 0.03 0.57 -0.81 0.78 0.00 0.00 0.00 179.25 179.81 3h02 h GLY 245 N 1.10 0.25 1.34 0.00 0.00 -0.42 -2.98 103.07 102.37 3h02 h GLY 245 Ca 0.27 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 3h02 h GLY 245 CO -0.04 0.36 0.06 1.41 0.00 0.00 0.00 176.54 178.33 3h02 h LEU 246 N 0.14 0.77 -0.47 3.11 3.38 -0.56 -1.94 115.31 119.73 3h02 h LEU 246 Ca -0.04 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3h02 h LEU 246 Cb 1.41 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3h02 h LEU 246 CO 0.13 0.80 0.28 -0.61 0.09 0.00 0.00 178.44 179.12 3h02 h GLN 247 N 0.77 0.54 -0.15 1.13 4.15 -0.58 0.59 115.11 121.56 3h02 h GLN 247 Ca 0.16 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 3h02 h GLN 247 Cb 0.37 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3h02 h GLN 247 CO 0.01 0.36 0.06 0.93 -1.93 0.00 0.00 178.83 178.26 3h02 h GLU 248 N 0.56 0.23 0.09 1.69 5.08 -1.35 -0.87 114.58 120.01 3h02 h GLU 248 Ca 0.19 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3h02 h GLU 248 Cb 0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3h02 h GLU 248 CO -0.09 0.31 -0.04 1.25 -1.00 0.00 0.00 179.01 179.44 3h02 h LEU 249 N 0.09 -0.11 -1.15 1.33 5.85 -1.08 -1.54 115.31 118.70 3h02 h LEU 249 Ca 0.05 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3h02 h LEU 249 Cb 0.17 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3h02 h LEU 249 CO -0.00 0.11 0.57 0.00 -0.34 0.00 0.00 178.44 178.78 3h02 h ALA 250 N 0.56 1.39 -0.68 1.25 0.00 -0.94 -0.85 119.26 120.00 3h02 h ALA 250 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h02 h ALA 250 Cb 0.27 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3h02 h ALA 250 CO 0.02 0.57 0.41 0.78 0.00 0.00 0.00 179.25 181.02 3h02 h GLY 251 N 1.17 0.98 1.65 0.00 0.00 -0.92 0.33 103.07 106.28 3h02 h GLY 251 Ca 0.32 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 3h02 h GLY 251 CO -0.07 0.39 -0.60 3.43 0.00 0.00 0.00 176.54 179.69 3h02 h ASN 252 N 0.94 0.40 -0.65 0.19 2.35 -0.36 -3.00 115.58 115.45 3h02 h ASN 252 Ca 0.25 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3h02 h ASN 252 Cb -0.03 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3h02 h ASN 252 CO -0.05 0.91 0.19 0.00 -1.65 0.00 0.00 177.43 176.84 3h02 h ALA 253 N 1.10 0.85 0.00 -0.83 0.00 0.25 0.37 119.26 120.99 3h02 h ALA 253 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3h02 h ALA 253 Cb 1.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3h02 h ALA 253 CO 0.10 0.53 0.00 2.41 0.00 0.00 0.00 179.25 182.29 3h02 n THR 254 N -4.34 0.07 0.00 0.00 -1.04 1.00 -0.66 114.28 109.30 3h02 n THR 254 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3h02 n THR 254 Cb 0.22 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 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 0.61 0.00 -0.29 -4.42 4.77 0.12 -1.95 117.00 115.84 3h02 n LEU 256 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3h02 n LEU 256 Cb 0.06 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3h02 n LEU 256 CO 0.00 0.00 1.05 0.15 -1.33 0.00 0.00 177.39 177.26 3h02 h PHE 257 N 0.00 1.19 0.00 -1.77 3.57 -1.14 -3.24 116.94 115.56 3h02 h PHE 257 Ca 0.00 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 3h02 h PHE 257 Cb 0.00 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 3h02 h PHE 257 CO 0.00 0.90 0.12 0.66 -2.23 0.00 0.00 178.31 177.76 3h02 n TYR 258 N -4.29 0.00 -0.35 0.41 4.02 -0.82 -3.50 117.16 112.62 3h02 n TYR 258 Ca 0.07 -0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 3h02 n TYR 258 Cb 0.18 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 3h02 n TYR 258 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3h02 n THR 260 N 2.25 0.00 -0.09 -0.72 -2.24 -1.22 -4.55 114.28 107.70 3h02 n THR 260 Ca 0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 3h02 n THR 260 Cb 0.09 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.33 3h02 n THR 260 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3h02 h GLU 261 N -0.70 0.23 -0.66 -0.78 4.39 -1.96 -1.47 114.58 113.64 3h02 h GLU 261 Ca 0.00 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 3h02 h GLU 261 Cb 0.09 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 3h02 h GLU 261 CO 0.00 0.15 0.27 1.49 -1.16 0.00 0.00 179.01 179.76 3h02 h GLU 262 N 0.24 0.97 0.00 2.33 4.81 -1.99 -1.54 114.58 119.40 3h02 h GLU 262 Ca 0.15 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3h02 h GLU 262 Cb 0.14 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3h02 h GLU 262 CO -0.17 0.78 0.00 0.41 -0.73 0.00 0.00 179.01 179.31 3h02 n GLY 263 N -1.00 -0.99 0.45 1.92 0.00 -0.91 -2.60 105.19 102.06 3h02 n GLY 263 Ca 0.06 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.98 3h02 n GLY 263 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h02 n GLN 264 N -1.15 1.46 -0.02 1.61 6.02 -0.60 -4.49 117.38 120.21 3h02 n GLN 264 Ca 0.16 -1.47 -0.07 0.00 -0.01 0.00 0.00 57.00 55.61 3h02 n GLN 264 Cb 0.15 -1.20 0.11 0.00 1.02 0.00 0.00 30.24 30.32 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 1.80 0.60 -0.01 -1.09 4.57 -1.21 -1.67 114.58 117.56 3h02 h GLU 265 Ca 0.00 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3h02 h GLU 265 Cb 0.53 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3h02 h GLU 265 CO 0.00 0.86 0.00 0.78 -1.18 0.00 0.00 179.01 179.48 3h02 h GLY 266 N 1.03 0.01 1.28 1.92 0.00 -1.82 0.23 103.07 105.72 3h02 h GLY 266 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 3h02 h GLY 266 CO 0.07 0.01 -0.18 -0.09 0.00 0.00 0.00 176.54 176.34 3h02 h ARG 267 N -0.10 0.83 -0.32 4.80 1.12 -1.87 -2.13 114.38 116.71 3h02 h ARG 267 Ca 0.00 -0.32 -0.15 0.00 -1.11 0.00 0.00 59.98 58.41 3h02 h ARG 267 Cb 0.11 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.02 3h02 h ARG 267 CO -0.00 0.95 -0.39 -0.91 -3.11 0.00 0.00 179.97 176.51 3h02 h ASN 268 N 0.73 0.80 -0.39 -3.80 2.35 -1.22 -1.99 115.58 112.07 3h02 h ASN 268 Ca 0.11 -0.36 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 3h02 h ASN 268 Cb 0.70 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 3h02 h ASN 268 CO 0.05 1.10 0.15 0.00 -1.65 0.00 0.00 177.43 177.08 3h02 h ALA 269 N 0.94 0.51 0.09 -0.83 0.00 -0.37 -1.21 119.26 118.40 3h02 h ALA 269 Ca 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h02 h ALA 269 Cb 0.94 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3h02 h ALA 269 CO 0.09 0.12 -0.04 0.35 0.00 0.00 0.00 179.25 179.76 3h02 h PHE 270 N 0.49 -0.11 -0.08 0.00 3.57 -1.32 0.14 116.94 119.62 3h02 h PHE 270 Ca 0.13 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3h02 h PHE 270 Cb 0.20 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 3h02 h PHE 270 CO 0.00 0.01 0.06 -0.91 -2.23 0.00 0.00 178.31 175.23 3h02 h ASN 271 N -0.21 0.08 -0.53 0.41 2.35 -1.30 -0.71 115.58 115.67 3h02 h ASN 271 Ca -0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3h02 h ASN 271 Cb 0.17 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3h02 h ASN 271 CO 0.02 0.05 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 3h02 n GLN 272 N -4.52 3.92 -3.95 0.81 6.02 -0.46 -4.94 117.38 114.26 3h02 n GLN 272 Ca -0.02 -2.61 -0.35 0.00 -0.01 0.00 0.00 57.00 54.02 3h02 n GLN 272 Cb 0.10 -2.01 0.00 0.00 1.02 0.00 0.00 30.24 29.36 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 0.73 -1.33 -3.76 -1.09 4.76 -0.27 -4.94 118.16 112.25 3h02 n LYS 273 Ca 0.23 0.28 -0.09 0.00 -2.87 0.00 0.00 58.31 55.85 3h02 n LYS 273 Cb 0.94 -3.64 -0.04 0.00 -1.84 0.00 0.00 35.03 30.46 3h02 n LYS 273 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3h02 s ARG 274 N -6.75 1.39 0.36 1.97 1.70 0.38 -5.03 118.95 112.96 3h02 s ARG 274 Ca 0.32 -0.90 -0.26 0.00 -0.47 0.00 0.00 55.73 54.42 3h02 s ARG 274 Cb -0.14 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 3h02 s ARG 274 CO 0.92 -0.59 1.05 -0.65 -1.08 0.00 0.00 175.30 174.95 3h02 s GLN 275 N -3.88 4.35 0.40 3.89 -1.52 -1.26 -3.99 119.66 117.65 3h02 s GLN 275 Ca 0.10 1.56 -0.27 0.00 -1.95 0.00 0.00 55.36 54.80 3h02 s GLN 275 Cb -0.01 -2.75 -0.10 0.00 -0.22 0.00 0.00 33.01 29.92 3h02 s GLN 275 CO -0.02 0.02 1.48 -2.14 -0.25 0.00 0.00 175.29 174.38 3h02 s PRO 276 N -2.14 3.99 -0.28 2.91 0.02 -1.26 -4.91 135.00 133.32 3h02 s PRO 276 Ca 0.53 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 64.09 3h02 s PRO 276 Cb -0.24 -2.88 0.09 0.00 0.02 0.00 0.00 34.50 31.48 3h02 s PRO 276 CO 0.31 -0.63 0.08 0.34 -0.33 0.00 0.00 177.00 176.77 3h02 s ASP 277 N -0.22 3.77 0.00 2.53 2.15 -1.26 -4.99 116.67 118.66 3h02 s ASP 277 Ca 0.55 -1.43 0.27 0.00 0.43 0.00 0.00 52.55 52.37 3h02 s ASP 277 Cb -0.46 -0.81 0.82 0.00 -0.30 0.00 0.00 42.92 42.17 3h02 s ASP 277 CO 0.62 -0.38 1.60 0.49 -0.17 0.00 0.00 175.17 177.33 3h02 n PHE 278 N 4.90 0.00 0.29 -5.34 3.01 -1.26 -3.90 117.46 115.16 3h02 n PHE 278 Ca -0.04 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.59 3h02 n PHE 278 Cb 0.43 -0.07 0.86 0.00 -0.01 0.00 0.00 39.48 40.69 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 1.82 0.00 -0.49 4.37 4.64 -2.02 -2.24 113.55 119.63 3h02 h SER 279 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3h02 h SER 279 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 3h02 h SER 279 CO 0.00 0.05 0.33 0.11 -0.87 0.00 0.00 176.83 176.45 3h02 h LYS 280 N 0.00 0.54 -6.45 4.77 1.57 -2.02 -3.44 116.57 111.54 3h02 h LYS 280 Ca -0.00 -0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 58.21 3h02 h LYS 280 Cb 0.29 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3h02 h LYS 280 CO 0.01 0.36 -0.12 -0.06 -0.57 0.00 0.00 179.45 179.06 3h02 s PHE 281 N -5.50 3.44 0.58 -1.35 0.40 -0.85 -5.08 117.98 109.62 3h02 s PHE 281 Ca -0.08 0.82 -0.15 0.00 -0.60 0.00 0.00 56.93 56.91 3h02 s PHE 281 Cb 0.18 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 3h02 s PHE 281 CO 0.74 0.24 1.03 0.15 0.70 0.00 0.00 175.22 178.09 3h02 s LYS 282 N -2.99 3.48 -0.72 0.44 1.02 -1.26 -5.02 119.74 114.68 3h02 s LYS 282 Ca 0.46 1.08 0.02 0.00 0.02 0.00 0.00 55.97 57.55 3h02 s LYS 282 Cb -0.11 -2.06 0.18 0.00 -0.52 0.00 0.00 37.83 35.31 3h02 s LYS 282 CO 0.23 -0.67 0.53 1.03 -0.92 0.00 0.00 175.35 175.56 3h02 s ARG 283 N -4.25 2.62 0.84 1.68 0.52 -1.26 -5.09 118.95 114.02 3h02 s ARG 283 Ca 0.61 -3.16 -0.13 0.00 -0.52 0.00 0.00 55.73 52.53 3h02 s ARG 283 Cb -0.14 -3.58 0.08 0.00 0.52 0.00 0.00 34.95 31.83 3h02 s ARG 283 CO 0.38 -1.25 0.99 0.09 0.02 0.00 0.00 175.30 175.54 3h02 n ASN 284 N 2.35 0.16 0.00 0.23 4.13 -1.26 -5.34 115.26 115.53 3h02 n ASN 284 Ca 0.17 0.51 0.15 0.00 1.68 0.00 0.00 54.58 57.09 3h02 n ASN 284 Cb 0.35 -1.42 0.89 0.00 -1.54 0.00 0.00 39.78 38.05 3h02 n ASN 284 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73