#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7m n ASP 53 N 0.00 1.99 0.09 6.15 2.03 -1.26 -3.38 116.55 122.18 3h7m n ASP 53 Ca 0.00 0.07 0.12 0.00 0.52 0.00 0.00 54.79 55.50 3h7m n ASP 53 Cb 0.00 -0.53 0.18 0.00 -0.72 0.00 0.00 41.12 40.05 3h7m n ASP 53 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3h7m h ARG 54 N -0.40 0.00 -0.12 -0.67 2.47 -2.03 -3.21 114.38 110.42 3h7m h ARG 54 Ca -0.56 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.16 3h7m h ARG 54 Cb 1.68 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.00 3h7m h ARG 54 CO -0.22 0.00 0.00 0.72 0.56 0.00 0.00 179.97 181.03 3h7m n HIS 55 N -2.34 0.13 -2.17 3.04 8.25 -1.26 -4.75 115.22 116.12 3h7m n HIS 55 Ca 0.03 -0.07 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 3h7m n HIS 55 Cb 0.47 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 3h7m n HIS 55 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3h7m s ARG 56 N -1.76 3.60 -0.21 -0.41 3.52 -1.21 -4.18 118.95 118.29 3h7m s ARG 56 Ca 0.29 1.35 -0.42 0.00 -0.13 0.00 0.00 55.73 56.82 3h7m s ARG 56 Cb 0.20 -4.07 -0.20 0.00 -1.56 0.00 0.00 34.95 29.32 3h7m s ARG 56 CO 0.29 -1.53 1.28 2.41 -0.81 0.00 0.00 175.30 176.93 3h7m n THR 57 N 6.91 0.00 -3.21 4.11 -1.04 -1.26 -4.83 114.28 114.95 3h7m n THR 57 Ca 0.19 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.81 3h7m n THR 57 Cb 0.47 -0.21 -0.06 0.00 -1.82 0.00 0.00 70.33 68.70 3h7m n THR 57 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3h7m s ILE 58 N 1.29 5.12 -0.26 12.58 1.09 0.16 -4.92 121.20 136.26 3h7m s ILE 58 Ca 0.95 1.12 -0.14 0.00 -1.10 0.00 0.00 60.65 61.48 3h7m s ILE 58 Cb -1.35 -3.90 -0.04 0.00 -1.06 0.00 0.00 42.46 36.12 3h7m s ILE 58 CO 0.67 0.26 0.34 -0.69 -0.10 0.00 0.00 174.94 175.42 3h7m s VAL 59 N 0.93 5.20 -0.30 2.92 1.01 -1.26 -0.42 120.40 128.49 3h7m s VAL 59 Ca 0.29 0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 3h7m s VAL 59 Cb -0.16 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3h7m s VAL 59 CO 0.12 0.19 0.20 -0.69 0.00 0.00 0.00 175.10 174.92 3h7m s VAL 60 N 1.88 5.26 0.35 2.92 1.01 0.15 -0.00 120.40 131.97 3h7m s VAL 60 Ca 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 3h7m s VAL 60 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3h7m s VAL 60 CO 0.09 0.18 0.58 -0.83 0.00 0.00 0.00 175.10 175.13 3h7m s GLY 61 N 1.74 1.51 0.00 4.51 0.00 0.23 -0.11 107.32 115.20 3h7m s GLY 61 Ca 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.03 3h7m s GLY 61 CO 0.11 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.15 3h7m n GLY 62 N -1.61 -0.30 3.73 0.20 0.00 -1.23 -2.73 105.19 103.24 3h7m n GLY 62 Ca -0.03 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 3h7m n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h7m s ASP 63 N 0.00 7.14 0.16 1.61 -1.08 -1.26 -0.57 116.67 122.67 3h7m s ASP 63 Ca 0.00 1.37 0.23 0.00 -0.52 0.00 0.00 52.55 53.63 3h7m s ASP 63 Cb 0.00 -2.46 0.89 0.00 -1.46 0.00 0.00 42.92 39.89 3h7m s ASP 63 CO 0.00 -0.09 1.69 -2.11 0.52 0.00 0.00 175.17 175.18 3h7m n ARG 64 N 3.44 0.14 -3.14 4.34 1.85 0.99 -3.96 116.66 120.32 3h7m n ARG 64 Ca -0.00 0.29 -0.22 0.00 -1.00 0.00 0.00 57.85 56.92 3h7m n ARG 64 Cb 0.51 -1.73 -0.04 0.00 -1.05 0.00 0.00 32.46 30.15 3h7m n ARG 64 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3h7m n ASP 65 N -1.99 1.89 -3.05 2.89 8.00 -1.26 -2.17 116.55 120.86 3h7m n ASP 65 Ca 0.04 -3.17 -0.18 0.00 0.71 0.00 0.00 54.79 52.19 3h7m n ASP 65 Cb 0.27 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 3h7m n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h7m n TYR 66 N 0.33 0.83 -2.20 1.24 9.36 -0.10 -4.69 117.16 121.93 3h7m n TYR 66 Ca 0.26 -3.64 -0.34 0.00 3.32 0.00 0.00 57.90 57.51 3h7m n TYR 66 Cb 0.56 -0.41 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 3h7m n TYR 66 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3h7m s PRO 67 N -2.69 3.35 0.00 2.98 0.04 -1.19 -1.38 135.00 136.12 3h7m s PRO 67 Ca 0.39 1.44 0.10 0.00 0.04 0.00 0.00 61.00 62.97 3h7m s PRO 67 Cb 0.36 -2.02 0.31 0.00 0.04 0.00 0.00 34.50 33.19 3h7m s PRO 67 CO -0.07 -0.81 1.25 -0.35 0.04 0.00 0.00 177.00 177.06 3h7m n PRO 68 N -1.56 1.71 -0.02 0.56 -0.04 -1.26 -4.13 135.00 130.26 3h7m n PRO 68 Ca 0.10 -1.09 -0.13 0.00 -0.04 0.00 0.00 63.50 62.34 3h7m n PRO 68 Cb 0.52 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.63 3h7m n PRO 68 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3h7m h TYR 69 N 1.80 -0.03 -2.23 0.54 0.05 -1.63 -0.70 116.97 114.78 3h7m h TYR 69 Ca 0.00 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 3h7m h TYR 69 Cb 0.41 0.01 -0.22 0.00 1.01 0.00 0.00 36.73 37.94 3h7m h TYR 69 CO 0.20 0.56 0.02 -1.83 -1.05 0.00 0.00 178.16 176.06 3h7m s GLU 70 N -3.74 0.74 -0.27 4.88 -1.05 -0.48 0.58 118.70 119.36 3h7m s GLU 70 Ca -0.16 0.84 -0.30 0.00 -0.15 0.00 0.00 54.97 55.19 3h7m s GLU 70 Cb 0.01 0.36 0.18 0.00 -0.44 0.00 0.00 34.13 34.24 3h7m s GLU 70 CO 0.65 -0.10 1.31 -0.59 0.95 0.00 0.00 175.26 177.49 3h7m s PHE 71 N 0.26 -0.08 -0.13 4.83 -0.12 -0.15 -0.92 117.98 121.68 3h7m s PHE 71 Ca -0.01 0.12 -0.27 0.00 -0.05 0.00 0.00 56.93 56.73 3h7m s PHE 71 Cb -0.04 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 3h7m s PHE 71 CO 0.01 -0.07 0.89 0.42 -0.05 0.00 0.00 175.22 176.42 3h7m s ILE 72 N -1.16 4.86 0.81 -4.49 1.01 -0.92 0.25 121.20 121.56 3h7m s ILE 72 Ca 0.08 1.78 -0.08 0.00 0.00 0.00 0.00 60.65 62.43 3h7m s ILE 72 Cb -0.01 -4.20 0.13 0.00 0.01 0.00 0.00 42.46 38.39 3h7m s ILE 72 CO -0.06 0.05 1.13 1.51 0.00 0.00 0.00 174.94 177.56 3h7m s ASP 73 N 1.09 4.04 0.45 3.58 1.47 0.16 -4.85 116.67 122.62 3h7m s ASP 73 Ca 0.42 0.16 0.24 0.00 1.18 0.00 0.00 52.55 54.55 3h7m s ASP 73 Cb -0.17 -0.50 1.26 0.00 -0.34 0.00 0.00 42.92 43.17 3h7m s ASP 73 CO 0.16 -2.10 1.79 0.06 0.68 0.00 0.00 175.17 175.76 3h7m h GLN 74 N -0.98 0.24 -0.06 2.11 -0.00 -1.96 0.83 115.11 115.30 3h7m h GLN 74 Ca -0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 3h7m h GLN 74 Cb 1.27 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.70 3h7m h GLN 74 CO 0.46 0.16 0.00 0.09 -0.00 0.00 0.00 178.83 179.55 3h7m n ASN 75 N -4.47 0.57 0.00 0.06 3.02 -1.26 -4.87 115.26 108.30 3h7m n ASN 75 Ca 0.24 -1.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 3h7m n ASN 75 Cb 0.98 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 3h7m n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h7m n GLY 76 N 0.89 0.52 3.89 7.41 0.00 0.29 -5.05 105.19 113.13 3h7m n GLY 76 Ca 0.14 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3h7m n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h7m s LYS 77 N -0.40 3.55 0.23 1.61 1.02 -1.24 -4.72 119.74 119.78 3h7m s LYS 77 Ca 0.00 -0.12 -0.30 0.00 0.02 0.00 0.00 55.97 55.57 3h7m s LYS 77 Cb 0.00 -3.09 -0.10 0.00 -0.52 0.00 0.00 37.83 34.12 3h7m s LYS 77 CO 0.00 0.66 1.47 -2.14 -0.92 0.00 0.00 175.35 174.42 3h7m s PRO 78 N -1.75 4.25 0.19 -1.68 0.02 -1.26 0.38 135.00 135.15 3h7m s PRO 78 Ca 0.27 2.32 -0.10 0.00 0.02 0.00 0.00 61.00 63.50 3h7m s PRO 78 Cb -0.13 -3.12 -0.00 0.00 0.02 0.00 0.00 34.50 31.27 3h7m s PRO 78 CO 0.16 -0.47 0.35 0.00 -0.33 0.00 0.00 177.00 176.71 3h7m s ALA 79 N 0.26 -0.11 0.00 -1.55 0.00 0.14 -4.85 121.76 115.65 3h7m s ALA 79 Ca 0.62 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3h7m s ALA 79 Cb -0.42 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.63 3h7m s ALA 79 CO 0.41 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3h7m n GLY 80 N -0.27 2.32 0.28 0.00 0.00 -1.26 -0.98 105.19 105.28 3h7m n GLY 80 Ca -0.06 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 3h7m n GLY 80 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3h7m h TYR 81 N 0.00 -0.61 -0.35 1.61 5.03 -0.68 -0.55 116.97 121.41 3h7m h TYR 81 Ca 0.00 0.05 0.05 0.00 2.58 0.00 0.00 58.73 61.41 3h7m h TYR 81 Cb 0.00 0.33 -0.05 0.00 1.55 0.00 0.00 36.73 38.57 3h7m h TYR 81 CO 0.00 -0.31 0.08 -0.91 -1.32 0.00 0.00 178.16 175.69 3h7m h ASN 82 N -0.16 0.03 -0.12 -2.11 2.35 -0.11 -0.08 115.58 115.38 3h7m h ASN 82 Ca 0.20 0.06 0.02 0.00 -0.55 0.00 0.00 56.30 56.02 3h7m h ASN 82 Cb 0.47 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 3h7m h ASN 82 CO -0.51 0.05 0.01 0.58 -1.65 0.00 0.00 177.43 175.91 3h7m h VAL 83 N 0.20 0.93 -0.80 2.81 2.07 -1.51 0.39 116.25 120.34 3h7m h VAL 83 Ca 0.17 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 3h7m h VAL 83 Cb 0.18 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3h7m h VAL 83 CO -0.21 0.01 0.43 -0.08 0.02 0.00 0.00 177.57 177.74 3h7m h GLU 84 N 0.06 1.13 0.05 1.57 4.81 -0.83 0.22 114.58 121.58 3h7m h GLU 84 Ca 0.05 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3h7m h GLU 84 Cb 0.06 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.22 3h7m h GLU 84 CO -0.08 0.84 -0.03 1.25 -0.73 0.00 0.00 179.01 180.26 3h7m h LEU 85 N 1.12 -0.06 -0.66 1.64 5.85 -0.34 0.08 115.31 122.94 3h7m h LEU 85 Ca 0.28 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3h7m h LEU 85 Cb 0.05 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3h7m h LEU 85 CO -0.04 0.10 0.43 0.74 -0.34 0.00 0.00 178.44 179.33 3h7m h THR 86 N -0.22 1.16 -0.68 1.05 2.02 0.07 0.36 112.91 116.67 3h7m h THR 86 Ca -0.01 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 3h7m h THR 86 Cb 0.19 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 3h7m h THR 86 CO 0.01 0.16 0.19 0.03 0.37 0.00 0.00 175.52 176.29 3h7m h ARG 87 N 0.89 1.06 -0.62 6.66 3.08 -0.41 0.35 114.38 125.38 3h7m h ARG 87 Ca 0.24 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 3h7m h ARG 87 Cb -0.09 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 3h7m h ARG 87 CO -0.06 0.92 0.05 0.00 -1.07 0.00 0.00 179.97 179.81 3h7m h ALA 88 N 1.19 0.83 -0.42 0.04 0.00 -0.34 -1.31 119.26 119.25 3h7m h ALA 88 Ca 0.22 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3h7m h ALA 88 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3h7m h ALA 88 CO -0.00 0.63 0.09 0.82 0.00 0.00 0.00 179.25 180.79 3h7m h ILE 89 N 0.96 1.23 -0.87 0.00 2.04 -0.51 -1.98 117.51 118.38 3h7m h ILE 89 Ca 0.18 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.31 3h7m h ILE 89 Cb 0.50 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3h7m h ILE 89 CO 0.02 0.28 0.56 0.00 0.00 0.00 0.00 178.15 179.02 3h7m h ALA 90 N 0.95 1.62 -0.31 1.87 0.00 -0.68 -0.13 119.26 122.58 3h7m h ALA 90 Ca 0.13 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3h7m h ALA 90 Cb 0.33 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h7m h ALA 90 CO 0.00 0.23 -0.42 1.49 0.00 0.00 0.00 179.25 180.55 3h7m h GLU 91 N 0.90 0.83 0.00 0.00 4.81 -0.70 0.12 114.58 120.54 3h7m h GLU 91 Ca 0.39 -0.48 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 3h7m h GLU 91 Cb 0.33 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3h7m h GLU 91 CO -0.16 1.11 -0.55 -0.39 -0.73 0.00 0.00 179.01 178.30 3h7m h VAL 92 N 0.60 1.00 -0.10 0.32 -1.51 -0.61 -3.18 116.25 112.78 3h7m h VAL 92 Ca 0.04 -2.25 0.00 0.00 -1.23 0.00 0.00 66.70 63.26 3h7m h VAL 92 Cb 1.01 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 32.55 3h7m h VAL 92 CO 0.10 0.54 0.00 0.23 -1.23 0.00 0.00 177.57 177.21 3h7m n MET 93 N -3.31 1.85 -2.86 5.19 2.81 -0.14 -4.94 117.12 115.71 3h7m n MET 93 Ca 0.01 -1.25 -0.18 0.00 -1.81 0.00 0.00 57.70 54.47 3h7m n MET 93 Cb 0.72 -1.45 0.03 0.00 -0.71 0.00 0.00 33.22 31.80 3h7m n MET 93 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h7m n GLY 94 N 1.21 -0.30 3.97 3.03 0.00 -0.62 -5.01 105.19 107.47 3h7m n GLY 94 Ca 0.17 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3h7m n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h7m s MET 95 N -5.46 3.24 -0.12 1.61 -1.94 0.34 -4.92 119.30 112.04 3h7m s MET 95 Ca 0.24 -0.68 0.03 0.00 -1.71 0.00 0.00 55.69 53.57 3h7m s MET 95 Cb -0.11 -2.73 0.01 0.00 2.01 0.00 0.00 34.83 34.01 3h7m s MET 95 CO 0.30 0.06 -0.22 0.99 -0.01 0.00 0.00 175.02 176.14 3h7m s THR 96 N -2.27 1.97 0.09 2.05 2.01 -1.26 -4.63 115.64 113.61 3h7m s THR 96 Ca 0.43 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.56 3h7m s THR 96 Cb -0.10 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 3h7m s THR 96 CO 0.34 0.54 -0.20 0.68 -0.69 0.00 0.00 174.62 175.28 3h7m s VAL 97 N 0.63 1.65 -0.09 3.82 -7.23 -1.26 0.39 120.40 118.30 3h7m s VAL 97 Ca -0.12 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 3h7m s VAL 97 Cb -0.17 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.28 3h7m s VAL 97 CO 0.03 -0.05 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.88 3h7m s GLU 98 N -1.81 2.51 -0.09 4.82 2.12 0.44 -4.90 118.70 121.79 3h7m s GLU 98 Ca 0.06 -0.69 -0.16 0.00 0.36 0.00 0.00 54.97 54.54 3h7m s GLU 98 Cb -0.10 -1.97 -0.05 0.00 0.26 0.00 0.00 34.13 32.27 3h7m s GLU 98 CO 0.04 0.08 0.41 -0.06 -0.54 0.00 0.00 175.26 175.19 3h7m s PHE 99 N 0.57 3.57 -0.48 5.30 0.08 -1.26 0.33 117.98 126.09 3h7m s PHE 99 Ca -0.15 0.86 0.03 0.00 0.12 0.00 0.00 56.93 57.79 3h7m s PHE 99 Cb -0.17 -2.42 0.16 0.00 -0.57 0.00 0.00 43.02 40.02 3h7m s PHE 99 CO 0.05 0.34 0.33 1.03 -0.10 0.00 0.00 175.22 176.88 3h7m s ARG 100 N 0.02 1.36 0.10 0.44 0.52 0.84 -4.91 118.95 117.32 3h7m s ARG 100 Ca 0.23 -2.29 -0.23 0.00 -0.52 0.00 0.00 55.73 52.92 3h7m s ARG 100 Cb -0.15 -2.17 -0.07 0.00 0.52 0.00 0.00 34.95 33.08 3h7m s ARG 100 CO 0.10 -1.27 0.70 -0.51 0.02 0.00 0.00 175.30 174.34 3h7m s LEU 101 N -0.10 4.54 0.00 2.53 1.43 -1.26 -3.47 118.68 122.34 3h7m s LEU 101 Ca 0.25 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 3h7m s LEU 101 Cb -0.10 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.98 3h7m s LEU 101 CO -0.11 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.27 3h7m n GLY 102 N 1.84 3.75 3.75 -3.19 0.00 0.26 -4.59 105.19 107.01 3h7m n GLY 102 Ca -0.06 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 3h7m n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7m s ALA 103 N -1.40 3.63 0.38 4.61 0.00 -1.26 -0.01 121.76 127.71 3h7m s ALA 103 Ca 0.00 1.35 0.11 0.00 0.00 0.00 0.00 51.96 53.42 3h7m s ALA 103 Cb 0.00 -3.56 0.75 0.00 0.00 0.00 0.00 23.12 20.31 3h7m s ALA 103 CO 0.00 -0.77 1.86 2.35 0.00 0.00 0.00 175.76 179.21 3h7m h TRP 104 N 4.86 0.12 0.00 0.00 7.01 -1.88 -3.03 115.95 123.04 3h7m h TRP 104 Ca -0.46 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.52 3h7m h TRP 104 Cb 1.22 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 3h7m h TRP 104 CO 0.59 0.38 0.00 -1.13 -2.79 0.00 0.00 178.44 175.49 3h7m n SER 105 N -4.18 0.00 0.00 2.65 3.41 -1.26 -2.42 113.62 111.81 3h7m n SER 105 Ca -0.02 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3h7m n SER 105 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3h7m n SER 105 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3h7m n GLU 106 N -0.88 0.00 0.13 4.33 0.28 -1.15 -4.83 120.64 118.53 3h7m n GLU 106 Ca 0.03 -0.06 -0.01 0.00 -0.16 0.00 0.00 57.16 56.96 3h7m n GLU 106 Cb 0.01 -0.50 0.15 0.00 1.43 0.00 0.00 31.44 32.53 3h7m n GLU 106 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 3h7m h MET 107 N 0.00 0.00 -0.21 3.44 2.86 -1.53 -0.67 114.93 118.81 3h7m h MET 107 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3h7m h MET 107 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3h7m h MET 107 CO 0.00 0.64 -0.04 0.35 1.06 0.00 0.00 176.91 178.91 3h7m h PHE 108 N 0.00 0.46 0.61 -0.22 3.57 -1.88 -2.14 116.94 117.34 3h7m h PHE 108 Ca -0.01 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3h7m h PHE 108 Cb 1.17 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3h7m h PHE 108 CO 0.00 0.64 -0.41 1.03 -2.23 0.00 0.00 178.31 177.34 3h7m h SER 109 N 0.14 -1.06 -0.38 0.41 0.87 -1.85 -2.45 113.55 109.24 3h7m h SER 109 Ca 0.05 0.07 0.11 0.00 -1.23 0.00 0.00 61.79 60.79 3h7m h SER 109 Cb 0.49 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 3h7m h SER 109 CO 0.02 -0.62 0.49 0.00 -0.53 0.00 0.00 176.83 176.18 3h7m h ALA 110 N -0.72 2.04 0.42 6.23 0.00 -1.07 0.86 119.26 127.02 3h7m h ALA 110 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3h7m h ALA 110 Cb 0.81 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3h7m h ALA 110 CO 0.05 -0.68 -0.20 1.25 0.00 0.00 0.00 179.25 179.66 3h7m h LEU 111 N 0.00 -0.48 -0.92 0.00 6.46 -0.90 0.75 115.31 120.22 3h7m h LEU 111 Ca 0.18 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 3h7m h LEU 111 Cb 1.15 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 41.15 3h7m h LEU 111 CO -0.00 -0.05 0.60 0.11 -0.62 0.00 0.00 178.44 178.48 3h7m h LYS 112 N -1.12 1.13 0.00 1.25 1.57 -0.96 0.52 116.57 118.96 3h7m h LYS 112 Ca -0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3h7m h LYS 112 Cb 0.48 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3h7m h LYS 112 CO 0.10 0.75 0.00 1.03 -0.57 0.00 0.00 179.45 180.76 3h7m h SER 113 N 1.17 0.00 0.00 0.86 0.87 0.66 -3.45 113.55 113.65 3h7m h SER 113 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 3h7m h SER 113 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3h7m h SER 113 CO -0.11 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.80 3h7m n GLY 114 N -0.82 0.80 0.28 5.77 0.00 0.17 -4.88 105.19 106.51 3h7m n GLY 114 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 3h7m n GLY 114 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h7m h ARG 115 N 2.23 0.00 -4.55 1.61 3.08 -1.13 -3.41 114.38 112.21 3h7m h ARG 115 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3h7m h ARG 115 Cb 0.01 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.88 3h7m h ARG 115 CO 0.00 0.06 -0.71 0.14 -1.07 0.00 0.00 179.97 178.39 3h7m s VAL 116 N -4.45 0.56 -0.68 2.04 -7.23 -0.99 -4.99 120.40 104.67 3h7m s VAL 116 Ca -0.04 -1.47 0.23 0.00 -1.81 0.00 0.00 61.98 58.88 3h7m s VAL 116 Cb 0.14 -1.10 -0.15 0.00 0.56 0.00 0.00 36.38 35.83 3h7m s VAL 116 CO 0.57 -0.63 0.98 0.47 -0.31 0.00 0.00 175.10 176.18 3h7m n ASP 117 N 0.75 0.63 -3.53 4.85 8.00 1.00 -4.50 116.55 123.75 3h7m n ASP 117 Ca -0.18 -0.38 -0.11 0.00 0.71 0.00 0.00 54.79 54.83 3h7m n ASP 117 Cb 0.58 0.91 -0.04 0.00 -0.02 0.00 0.00 41.12 42.55 3h7m n ASP 117 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h7m s VAL 118 N -3.16 0.00 -0.17 2.53 0.11 -1.06 -4.45 120.40 114.19 3h7m s VAL 118 Ca 0.04 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 3h7m s VAL 118 Cb 0.15 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 3h7m s VAL 118 CO 0.82 0.00 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.71 3h7m s LEU 119 N -1.73 2.64 0.42 2.54 1.43 0.08 0.78 118.68 124.84 3h7m s LEU 119 Ca -0.01 -0.42 0.25 0.00 -1.03 0.00 0.00 54.13 52.92 3h7m s LEU 119 Cb -0.01 -1.62 0.58 0.00 0.03 0.00 0.00 46.19 45.17 3h7m s LEU 119 CO -0.02 0.07 1.69 0.06 0.23 0.00 0.00 176.35 178.38 3h7m h GLN 120 N 7.42 0.00 -2.21 1.70 3.07 -1.78 -0.53 115.11 122.79 3h7m h GLN 120 Ca -0.35 0.00 -0.42 0.00 0.09 0.00 0.00 58.65 57.98 3h7m h GLN 120 Cb 1.18 0.00 -0.34 0.00 0.08 0.00 0.00 27.48 28.40 3h7m h GLN 120 CO 0.58 0.00 -0.72 0.20 0.09 0.00 0.00 178.83 178.99 3h7m s GLY 121 N -4.09 0.18 -0.01 0.06 0.00 -1.22 -3.71 107.32 98.52 3h7m s GLY 121 Ca 0.07 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 3h7m s GLY 121 CO 0.63 2.52 0.03 -1.50 0.00 0.00 0.00 173.10 174.79 3h7m s ILE 122 N 1.65 -0.00 0.27 0.90 2.07 -0.16 -4.86 121.20 121.07 3h7m s ILE 122 Ca 0.15 0.02 -0.29 0.00 -1.41 0.00 0.00 60.65 59.11 3h7m s ILE 122 Cb -0.17 -0.06 -0.09 0.00 0.13 0.00 0.00 42.46 42.27 3h7m s ILE 122 CO -0.13 0.01 1.03 -0.44 -1.91 0.00 0.00 174.94 173.49 3h7m s SER 123 N 0.10 7.40 0.40 4.50 0.01 -1.26 -1.34 113.70 123.51 3h7m s SER 123 Ca -0.01 2.11 -0.23 0.00 1.31 0.00 0.00 55.95 59.14 3h7m s SER 123 Cb -0.01 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.50 3h7m s SER 123 CO -0.00 -0.04 0.96 0.86 0.41 0.00 0.00 173.24 175.43 3h7m s TRP 124 N -1.22 3.39 -0.06 2.43 -0.00 0.56 -4.98 118.94 119.07 3h7m s TRP 124 Ca 0.44 1.66 -0.29 0.00 -0.00 0.00 0.00 56.10 57.91 3h7m s TRP 124 Cb -0.28 -2.90 0.10 0.00 -0.00 0.00 0.00 33.47 30.38 3h7m s TRP 124 CO 0.36 -0.11 0.85 -1.54 -0.00 0.00 0.00 176.95 176.51 3h7m s SER 125 N -1.97 -0.46 0.10 5.86 1.04 -1.26 -4.72 113.70 112.29 3h7m s SER 125 Ca 0.59 0.33 -0.26 0.00 0.48 0.00 0.00 55.95 57.08 3h7m s SER 125 Cb -0.13 0.41 -0.10 0.00 0.10 0.00 0.00 66.02 66.30 3h7m s SER 125 CO 0.17 -0.55 1.66 -0.33 0.98 0.00 0.00 173.24 175.18 3h7m h GLU 126 N 2.46 -0.39 -0.64 4.02 4.39 -1.99 0.44 114.58 122.87 3h7m h GLU 126 Ca -0.23 0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.61 3h7m h GLU 126 Cb 1.19 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 3h7m h GLU 126 CO 0.34 -0.26 0.43 0.87 -1.16 0.00 0.00 179.01 179.23 3h7m h LYS 127 N -0.40 0.38 -0.01 2.33 1.57 -2.00 -2.29 116.57 116.14 3h7m h LYS 127 Ca 0.01 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3h7m h LYS 127 Cb 0.40 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.64 3h7m h LYS 127 CO -0.08 0.25 -0.46 0.00 -0.57 0.00 0.00 179.45 178.59 3h7m h ARG 128 N 0.39 0.33 -0.17 3.15 3.08 -1.67 -3.24 114.38 116.25 3h7m h ARG 128 Ca 0.30 -0.34 0.05 0.00 0.07 0.00 0.00 59.98 60.06 3h7m h ARG 128 Cb 0.66 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3h7m h ARG 128 CO -0.08 1.03 0.12 0.00 -1.07 0.00 0.00 179.97 179.97 3h7m h ALA 129 N 0.31 2.13 0.00 0.04 0.00 0.37 -2.01 119.26 120.11 3h7m h ALA 129 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h7m h ALA 129 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h7m h ALA 129 CO 0.09 -0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.67 3h7m n ARG 130 N -4.44 0.19 0.00 0.00 1.74 -0.96 -3.22 116.66 109.97 3h7m n ARG 130 Ca 0.01 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3h7m n ARG 130 Cb 0.26 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3h7m n ARG 130 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3h7m n GLN 131 N -1.07 1.15 -3.83 5.56 6.02 -0.77 -5.09 117.38 119.34 3h7m n GLN 131 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.95 3h7m n GLN 131 Cb 0.03 -0.10 -0.07 0.00 1.02 0.00 0.00 30.24 31.13 3h7m n GLN 131 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3h7m s ILE 132 N -0.06 0.13 -0.12 5.09 -4.36 -1.12 -3.40 121.20 117.37 3h7m s ILE 132 Ca 0.00 -1.10 -0.03 0.00 -0.26 0.00 0.00 60.65 59.26 3h7m s ILE 132 Cb 0.00 -1.32 -0.03 0.00 1.25 0.00 0.00 42.46 42.36 3h7m s ILE 132 CO 0.00 -0.61 -0.01 -1.81 0.24 0.00 0.00 174.94 172.76 3h7m s ASP 133 N -2.85 5.12 -0.02 4.36 1.01 -0.13 -4.41 116.67 119.75 3h7m s ASP 133 Ca 0.05 0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.33 3h7m s ASP 133 Cb 0.04 -1.63 -0.04 0.00 1.01 0.00 0.00 42.92 42.31 3h7m s ASP 133 CO -0.11 0.28 0.10 -0.36 0.21 0.00 0.00 175.17 175.29 3h7m s PHE 134 N -0.29 3.34 0.74 4.23 0.40 -1.26 -1.48 117.98 123.67 3h7m s PHE 134 Ca 0.06 0.25 -0.04 0.00 -0.60 0.00 0.00 56.93 56.60 3h7m s PHE 134 Cb -0.12 -1.77 0.12 0.00 0.51 0.00 0.00 43.02 41.76 3h7m s PHE 134 CO 0.02 0.58 1.03 0.95 0.70 0.00 0.00 175.22 178.50 3h7m s THR 135 N -1.19 2.18 0.96 0.64 -4.23 -0.89 -5.00 115.64 108.11 3h7m s THR 135 Ca 0.23 -0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 60.17 3h7m s THR 135 Cb -0.12 -2.72 0.17 0.00 1.34 0.00 0.00 72.50 71.17 3h7m s THR 135 CO 0.14 0.00 1.11 -2.84 -0.54 0.00 0.00 174.62 172.49 3h7m s PRO 136 N -5.24 0.67 0.44 3.99 0.02 -1.26 -4.73 135.00 128.88 3h7m s PRO 136 Ca 0.66 1.32 -0.21 0.00 0.02 0.00 0.00 61.00 62.79 3h7m s PRO 136 Cb -0.06 -1.70 -0.10 0.00 0.02 0.00 0.00 34.50 32.65 3h7m s PRO 136 CO 0.45 -2.79 0.98 -1.25 -0.33 0.00 0.00 177.00 174.06 3h7m s PRO 137 N -4.64 4.11 0.00 5.54 0.04 -1.26 -4.46 135.00 134.33 3h7m s PRO 137 Ca 0.66 1.23 0.22 0.00 0.04 0.00 0.00 61.00 63.15 3h7m s PRO 137 Cb -0.23 -2.20 -0.11 0.00 0.04 0.00 0.00 34.50 32.01 3h7m s PRO 137 CO 0.59 -0.15 0.96 -2.39 0.04 0.00 0.00 177.00 176.05 3h7m n HIS 138 N -0.66 0.02 -3.50 0.56 1.44 0.72 -4.84 115.22 108.96 3h7m n HIS 138 Ca 0.07 0.01 -0.11 0.00 -2.01 0.00 0.00 57.72 55.68 3h7m n HIS 138 Cb 0.53 -0.10 -0.02 0.00 0.12 0.00 0.00 29.99 30.52 3h7m n HIS 138 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 3h7m s THR 139 N -3.05 0.01 -0.19 0.61 -1.32 -0.83 -4.57 115.64 106.29 3h7m s THR 139 Ca 0.07 -0.19 -0.03 0.00 -1.21 0.00 0.00 61.69 60.33 3h7m s THR 139 Cb 0.16 -1.15 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 3h7m s THR 139 CO 0.84 -0.03 -0.05 -0.63 -2.21 0.00 0.00 174.62 172.55 3h7m s ILE 140 N -3.78 3.51 -0.36 5.08 -1.09 -1.26 -0.56 121.20 122.74 3h7m s ILE 140 Ca 0.03 -0.47 -0.11 0.00 -2.23 0.00 0.00 60.65 57.87 3h7m s ILE 140 Cb -0.01 -2.57 0.02 0.00 -1.58 0.00 0.00 42.46 38.32 3h7m s ILE 140 CO -0.10 0.45 0.20 -0.69 -1.23 0.00 0.00 174.94 173.57 3h7m s VAL 141 N 1.04 4.64 0.46 2.92 1.01 0.44 -4.55 120.40 126.36 3h7m s VAL 141 Ca 0.01 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 3h7m s VAL 141 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3h7m s VAL 141 CO 0.00 -0.18 0.78 -0.31 0.00 0.00 0.00 175.10 175.39 3h7m s TYR 142 N 1.58 3.54 0.49 5.22 2.02 -1.26 -0.07 117.35 128.87 3h7m s TYR 142 Ca 0.03 0.86 0.06 0.00 -0.37 0.00 0.00 57.07 57.65 3h7m s TYR 142 Cb -0.19 -2.33 -0.00 0.00 -0.40 0.00 0.00 41.96 39.04 3h7m s TYR 142 CO 0.07 -0.23 0.28 -1.01 -1.57 0.00 0.00 175.55 173.09 3h7m s HIS 143 N -2.65 2.05 0.10 2.71 3.76 -0.67 -1.76 115.29 118.84 3h7m s HIS 143 Ca 0.48 -0.75 -0.25 0.00 -0.15 0.00 0.00 55.06 54.40 3h7m s HIS 143 Cb -0.10 -1.91 0.07 0.00 1.11 0.00 0.00 32.58 31.74 3h7m s HIS 143 CO 0.42 -0.15 0.61 0.00 -0.85 0.00 0.00 174.74 174.77 3h7m s ALA 144 N -2.71 -1.61 -0.20 -1.40 0.00 -0.68 -2.92 121.76 112.24 3h7m s ALA 144 Ca 0.33 0.69 -0.09 0.00 0.00 0.00 0.00 51.96 52.89 3h7m s ALA 144 Cb 0.00 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 3h7m s ALA 144 CO 0.20 -0.65 0.12 0.42 0.00 0.00 0.00 175.76 175.84 3h7m s ILE 145 N -3.04 5.21 0.05 0.00 1.01 0.34 -2.47 121.20 122.30 3h7m s ILE 145 Ca -0.02 0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.79 3h7m s ILE 145 Cb -0.01 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 3h7m s ILE 145 CO -0.07 0.42 -0.04 -0.36 0.00 0.00 0.00 174.94 174.90 3h7m s PHE 146 N 0.54 2.92 0.14 3.97 0.08 0.53 0.10 117.98 126.26 3h7m s PHE 146 Ca 0.07 -0.04 -0.16 0.00 0.12 0.00 0.00 56.93 56.91 3h7m s PHE 146 Cb -0.12 -1.56 0.03 0.00 -0.57 0.00 0.00 43.02 40.80 3h7m s PHE 146 CO 0.00 0.43 0.42 0.00 -0.10 0.00 0.00 175.22 175.97 3h7m s ALA 147 N -1.15 -0.89 0.45 5.36 0.00 -0.32 -2.00 121.76 123.21 3h7m s ALA 147 Ca 0.21 -0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 3h7m s ALA 147 Cb -0.11 0.74 -0.08 0.00 0.00 0.00 0.00 23.12 23.67 3h7m s ALA 147 CO 0.13 -0.68 1.10 1.03 0.00 0.00 0.00 175.76 177.34 3h7m s ARG 148 N -3.83 3.87 0.21 0.00 0.52 -1.26 -0.84 118.95 117.63 3h7m s ARG 148 Ca 0.05 1.61 -0.09 0.00 -0.52 0.00 0.00 55.73 56.77 3h7m s ARG 148 Cb 0.01 -2.37 0.31 0.00 0.52 0.00 0.00 34.95 33.42 3h7m s ARG 148 CO -0.09 -0.42 1.70 0.00 0.02 0.00 0.00 175.30 176.51 3h7m h ARG 149 N 2.06 0.25 0.68 3.54 3.08 -1.04 -2.73 114.38 120.23 3h7m h ARG 149 Ca -0.49 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 3h7m h ARG 149 Cb 1.23 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 3h7m h ARG 149 CO 0.60 0.17 -0.49 0.38 -1.07 0.00 0.00 179.97 179.57 3h7m h ASP 150 N 0.26 -1.26 -0.97 7.04 2.03 -1.92 -3.46 116.42 118.15 3h7m h ASP 150 Ca 0.33 0.08 -0.28 0.00 -0.73 0.00 0.00 57.03 56.43 3h7m h ASP 150 Cb 0.49 0.39 0.10 0.00 -0.83 0.00 0.00 39.33 39.47 3h7m h ASP 150 CO -0.41 -0.71 -0.70 -1.20 -1.03 0.00 0.00 179.24 175.19 3h7m n SER 151 N -5.48 -2.25 -4.67 4.15 7.64 -1.03 -4.83 113.62 107.15 3h7m n SER 151 Ca -0.14 0.22 -0.42 0.00 1.01 0.00 0.00 58.87 59.55 3h7m n SER 151 Cb 0.48 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 3h7m n SER 151 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3h7m s PRO 152 N -0.68 4.21 0.76 1.43 0.02 -1.26 -4.92 135.00 134.55 3h7m s PRO 152 Ca 0.24 2.17 -0.12 0.00 0.02 0.00 0.00 61.00 63.31 3h7m s PRO 152 Cb -0.18 -3.77 0.05 0.00 0.02 0.00 0.00 34.50 30.62 3h7m s PRO 152 CO 0.35 -0.75 1.11 -1.25 -0.33 0.00 0.00 177.00 176.13 3h7m s PRO 153 N 3.24 2.26 -0.02 5.54 0.04 -1.26 -5.05 135.00 139.75 3h7m s PRO 153 Ca 0.71 1.29 0.05 0.00 0.04 0.00 0.00 61.00 63.09 3h7m s PRO 153 Cb -0.35 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 3h7m s PRO 153 CO 0.29 -1.66 -0.17 0.00 0.04 0.00 0.00 177.00 175.50 3h7m s ALA 154 N -2.69 1.46 -1.69 8.56 0.00 -1.26 -5.03 121.76 121.11 3h7m s ALA 154 Ca 0.64 -0.72 0.23 0.00 0.00 0.00 0.00 51.96 52.11 3h7m s ALA 154 Cb -0.19 -0.41 0.09 0.00 0.00 0.00 0.00 23.12 22.60 3h7m s ALA 154 CO 0.52 0.32 1.14 0.00 0.00 0.00 0.00 175.76 177.74 3h7m n ALA 155 N 2.84 3.78 -3.64 0.00 0.00 -1.26 -3.90 120.51 118.32 3h7m n ALA 155 Ca -0.16 -0.58 -0.05 0.00 0.00 0.00 0.00 53.44 52.65 3h7m n ALA 155 Cb 0.54 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 3h7m n ALA 155 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h7m s GLY 156 N -2.64 -0.34 0.01 0.00 0.00 -1.26 -4.88 107.32 98.21 3h7m s GLY 156 Ca 0.16 0.61 0.14 0.00 0.00 0.00 0.00 44.72 45.64 3h7m s GLY 156 CO 0.64 0.17 1.44 1.47 0.00 0.00 0.00 173.10 176.82 3h7m n LEU 157 N -0.37 0.02 0.12 0.66 -0.00 -1.26 -1.78 117.00 114.40 3h7m n LEU 157 Ca -0.07 0.51 -0.02 0.00 -0.00 0.00 0.00 56.01 56.43 3h7m n LEU 157 Cb 0.61 -0.50 0.11 0.00 -0.00 0.00 0.00 43.42 43.64 3h7m n LEU 157 CO 0.12 -0.28 0.43 1.05 -0.00 0.00 0.00 177.39 178.71 3h7m h GLU 158 N 0.00 0.00 0.00 1.47 9.09 -2.00 -2.60 114.58 120.54 3h7m h GLU 158 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3h7m h GLU 158 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 3h7m h GLU 158 CO 0.00 0.68 0.00 -0.25 0.05 0.00 0.00 179.01 179.49 3h7m n ASP 159 N -3.65 0.00 -0.57 3.06 10.43 -0.74 -2.13 116.55 122.96 3h7m n ASP 159 Ca -0.01 -0.16 0.13 0.00 2.57 0.00 0.00 54.79 57.32 3h7m n ASP 159 Cb 0.69 -0.17 0.33 0.00 1.84 0.00 0.00 41.12 43.80 3h7m n ASP 159 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3h7m n LEU 160 N -1.17 1.87 -4.71 0.64 4.32 -0.98 -4.85 117.00 112.12 3h7m n LEU 160 Ca 0.09 -0.62 -0.42 0.00 -0.02 0.00 0.00 56.01 55.04 3h7m n LEU 160 Cb 0.10 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 41.85 3h7m n LEU 160 CO 0.11 0.32 1.12 -0.13 -1.22 0.00 0.00 177.39 177.59 3h7m s ARG 161 N -2.14 4.28 0.00 3.23 1.81 -0.90 -1.96 118.95 123.27 3h7m s ARG 161 Ca 0.31 2.17 0.00 0.00 -1.72 0.00 0.00 55.73 56.48 3h7m s ARG 161 Cb 0.20 -3.25 0.00 0.00 -0.45 0.00 0.00 34.95 31.46 3h7m s ARG 161 CO 0.38 -0.50 0.00 0.41 -0.68 0.00 0.00 175.30 174.91 3h7m n GLY 162 N 3.60 1.36 3.74 -3.53 0.00 -1.26 -5.04 105.19 104.06 3h7m n GLY 162 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3h7m n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h7m s ARG 163 N -0.42 2.70 -0.00 1.61 0.52 -0.83 -5.07 118.95 117.46 3h7m s ARG 163 Ca 0.00 -0.93 -0.30 0.00 -0.52 0.00 0.00 55.73 53.98 3h7m s ARG 163 Cb 0.00 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 3h7m s ARG 163 CO 0.00 0.49 1.05 0.21 0.02 0.00 0.00 175.30 177.07 3h7m s LYS 164 N -2.93 4.50 -0.05 3.54 2.20 -1.26 -4.71 119.74 121.03 3h7m s LYS 164 Ca 0.29 1.52 0.01 0.00 -0.36 0.00 0.00 55.97 57.43 3h7m s LYS 164 Cb -0.10 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.79 3h7m s LYS 164 CO 0.21 -0.16 -0.04 0.08 -0.36 0.00 0.00 175.35 175.08 3h7m s VAL 165 N 1.22 0.53 0.11 4.02 1.01 -0.70 -1.28 120.40 125.32 3h7m s VAL 165 Ca 0.53 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 3h7m s VAL 165 Cb -0.23 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 3h7m s VAL 165 CO 0.27 0.23 0.29 0.00 0.00 0.00 0.00 175.10 175.89 3h7m s ALA 166 N 1.04 3.91 -0.04 5.51 0.00 -0.37 -0.40 121.76 131.40 3h7m s ALA 166 Ca -0.09 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 3h7m s ALA 166 Cb -0.14 -1.95 0.11 0.00 0.00 0.00 0.00 23.12 21.14 3h7m s ALA 166 CO -0.01 0.71 1.05 -0.48 0.00 0.00 0.00 175.76 177.04 3h7m s LEU 167 N -2.69 -0.22 0.18 0.00 0.05 -0.85 -1.88 118.68 113.26 3h7m s LEU 167 Ca 0.38 -0.08 -0.32 0.00 0.05 0.00 0.00 54.13 54.15 3h7m s LEU 167 Cb -0.12 1.76 -0.11 0.00 -2.05 0.00 0.00 46.19 45.66 3h7m s LEU 167 CO 0.27 -0.50 1.77 1.57 -0.55 0.00 0.00 176.35 178.91 3h7m n HIS 168 N -0.27 2.71 -1.54 3.48 -0.00 -1.26 -1.88 115.22 116.46 3h7m n HIS 168 Ca -0.05 -0.04 -0.31 0.00 -0.00 0.00 0.00 57.72 57.31 3h7m n HIS 168 Cb 0.61 -2.70 -0.08 0.00 -0.00 0.00 0.00 29.99 27.82 3h7m n HIS 168 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 3h7m n ARG 169 N 4.67 0.65 -1.22 1.57 3.00 0.55 -2.03 116.66 123.86 3h7m n ARG 169 Ca 0.17 -0.20 -0.02 0.00 -0.00 0.00 0.00 57.85 57.81 3h7m n ARG 169 Cb 0.36 -2.95 -0.01 0.00 0.00 0.00 0.00 32.46 29.86 3h7m n ARG 169 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3h7m n ASP 170 N 14.75 -2.89 -4.59 6.15 8.00 -1.26 -4.82 116.55 131.89 3h7m n ASP 170 Ca 0.47 0.03 -0.29 0.00 0.71 0.00 0.00 54.79 55.71 3h7m n ASP 170 Cb 0.39 -0.84 0.13 0.00 -0.02 0.00 0.00 41.12 40.78 3h7m n ASP 170 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3h7m s GLY 171 N -2.97 1.68 0.47 0.44 0.00 -0.86 -4.75 107.32 101.32 3h7m s GLY 171 Ca 0.00 -0.91 0.27 0.00 0.00 0.00 0.00 44.72 44.08 3h7m s GLY 171 CO 0.00 -0.31 1.78 -2.22 0.00 0.00 0.00 173.10 172.35 3h7m h ILE 172 N -1.26 0.46 0.00 0.90 5.03 -1.97 0.19 117.51 120.86 3h7m h ILE 172 Ca -0.45 -0.07 -0.09 0.00 -0.12 0.00 0.00 64.86 64.13 3h7m h ILE 172 Cb 1.29 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 35.31 3h7m h ILE 172 CO 0.54 0.04 -0.44 0.24 -0.68 0.00 0.00 178.15 177.85 3h7m h MET 173 N 0.19 0.00 0.34 2.37 2.86 -1.90 -0.60 114.93 118.19 3h7m h MET 173 Ca 0.58 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.21 3h7m h MET 173 Cb 1.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.55 3h7m h MET 173 CO -0.17 0.44 -0.17 1.25 1.06 0.00 0.00 176.91 179.33 3h7m h HIS 174 N 0.00 -0.43 -0.71 -0.22 -0.00 -0.84 -0.27 115.15 112.68 3h7m h HIS 174 Ca -0.00 -0.01 0.15 0.00 -0.00 0.00 0.00 60.37 60.50 3h7m h HIS 174 Cb 1.33 0.14 -0.13 0.00 -0.00 0.00 0.00 27.41 28.75 3h7m h HIS 174 CO 0.00 -0.27 -0.11 0.93 -0.00 0.00 0.00 177.93 178.48 3h7m h GLU 175 N -0.58 0.03 -0.67 5.26 5.08 -1.54 -0.30 114.58 121.85 3h7m h GLU 175 Ca -0.05 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3h7m h GLU 175 Cb 0.35 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3h7m h GLU 175 CO 0.08 0.02 0.45 -0.92 -1.00 0.00 0.00 179.01 177.64 3h7m h TYR 176 N 0.04 0.82 0.00 4.33 5.03 -1.03 -2.17 116.97 123.99 3h7m h TYR 176 Ca 0.36 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.69 3h7m h TYR 176 Cb 0.58 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.58 3h7m h TYR 176 CO -0.51 0.51 -0.76 -0.07 -1.32 0.00 0.00 178.16 176.01 3h7m h LEU 177 N 0.88 0.00 0.38 2.82 3.38 0.37 -3.33 115.31 119.80 3h7m h LEU 177 Ca 0.25 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3h7m h LEU 177 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3h7m h LEU 177 CO -0.06 0.03 -0.18 0.00 0.09 0.00 0.00 178.44 178.31 3h7m h ALA 178 N 2.13 -0.51 0.00 1.53 0.00 -0.72 -2.21 119.26 119.47 3h7m h ALA 178 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3h7m h ALA 178 Cb 0.94 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3h7m h ALA 178 CO 0.00 -0.60 0.00 0.39 0.00 0.00 0.00 179.25 179.04 3h7m n GLU 179 N -5.17 0.00 -0.29 0.00 1.02 -0.85 0.12 120.64 115.47 3h7m n GLU 179 Ca -0.10 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.09 3h7m n GLU 179 Cb 0.28 -1.21 0.06 0.00 -0.02 0.00 0.00 31.44 30.55 3h7m n GLU 179 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3h7m n ARG 180 N -0.58 0.61 -1.04 3.49 1.74 -0.96 -5.01 116.66 114.91 3h7m n ARG 180 Ca 0.00 -1.67 -0.01 0.00 -0.77 0.00 0.00 57.85 55.40 3h7m n ARG 180 Cb 0.00 -0.94 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 3h7m n ARG 180 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h7m n GLY 181 N -0.62 0.47 0.07 -0.13 0.00 0.12 -4.92 105.19 100.17 3h7m n GLY 181 Ca 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 3h7m n GLY 181 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3h7m h TYR 182 N 0.00 0.06 -0.32 1.61 0.05 -1.56 -3.40 116.97 113.42 3h7m h TYR 182 Ca -0.03 -0.05 0.12 0.00 0.05 0.00 0.00 58.73 58.83 3h7m h TYR 182 Cb 0.27 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.96 3h7m h TYR 182 CO 0.15 1.04 0.19 0.41 -1.05 0.00 0.00 178.16 178.90 3h7m n GLY 183 N 1.40 -0.22 0.22 3.88 0.00 -1.26 0.45 105.19 109.66 3h7m n GLY 183 Ca -0.03 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 3h7m n GLY 183 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h7m h LYS 184 N 0.00 0.74 -1.15 1.61 2.10 -1.97 -3.23 116.57 114.67 3h7m h LYS 184 Ca 0.24 -0.48 -0.22 0.00 -2.00 0.00 0.00 60.65 58.20 3h7m h LYS 184 Cb 0.69 0.06 -0.12 0.00 -0.90 0.00 0.00 32.23 31.96 3h7m h LYS 184 CO -0.19 1.10 0.28 -0.25 -2.00 0.00 0.00 179.45 178.39 3h7m n ASP 185 N -4.14 4.00 -3.79 7.07 10.43 0.17 -4.90 116.55 125.40 3h7m n ASP 185 Ca -0.05 -2.70 -0.13 0.00 2.57 0.00 0.00 54.79 54.48 3h7m n ASP 185 Cb 0.58 -0.74 -0.13 0.00 1.84 0.00 0.00 41.12 42.67 3h7m n ASP 185 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 3h7m s LEU 186 N -1.33 1.10 -0.14 0.64 0.05 -1.22 -1.72 118.68 116.06 3h7m s LEU 186 Ca 0.23 0.30 -0.11 0.00 0.05 0.00 0.00 54.13 54.59 3h7m s LEU 186 Cb 0.19 0.43 -0.05 0.00 -2.05 0.00 0.00 46.19 44.72 3h7m s LEU 186 CO 0.03 -0.10 0.24 0.54 -0.55 0.00 0.00 176.35 176.51 3h7m s VAL 187 N 0.61 5.34 -0.20 1.48 0.11 0.46 -4.94 120.40 123.25 3h7m s VAL 187 Ca -0.04 0.43 -0.09 0.00 -2.93 0.00 0.00 61.98 59.34 3h7m s VAL 187 Cb -0.06 -3.55 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 3h7m s VAL 187 CO -0.03 0.48 0.12 -0.76 -3.33 0.00 0.00 175.10 171.58 3h7m s LEU 188 N -0.13 4.08 0.12 2.54 1.43 -1.26 -2.00 118.68 123.45 3h7m s LEU 188 Ca 0.15 0.17 0.11 0.00 -1.03 0.00 0.00 54.13 53.53 3h7m s LEU 188 Cb -0.13 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3h7m s LEU 188 CO 0.04 0.16 -0.27 0.42 0.23 0.00 0.00 176.35 176.93 3h7m s THR 189 N 0.49 2.24 0.53 5.49 -4.23 -0.79 -4.86 115.64 114.50 3h7m s THR 189 Ca 0.07 -1.71 0.18 0.00 -1.18 0.00 0.00 61.69 59.05 3h7m s THR 189 Cb -0.12 -1.97 0.29 0.00 1.34 0.00 0.00 72.50 72.04 3h7m s THR 189 CO -0.00 0.13 2.15 -0.65 -0.54 0.00 0.00 174.62 175.71 3h7m h PRO 190 N 4.01 0.00 -4.05 3.99 0.11 -1.95 0.16 132.00 134.27 3h7m h PRO 190 Ca -0.50 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 3h7m h PRO 190 Cb 1.17 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 3h7m h PRO 190 CO 0.40 0.00 -0.59 0.95 -0.21 0.00 0.00 178.00 178.55 3h7m s THR 191 N -5.01 0.18 0.35 -1.15 -4.23 -1.26 -4.72 115.64 99.80 3h7m s THR 191 Ca -0.05 -1.48 0.06 0.00 -1.18 0.00 0.00 61.69 59.05 3h7m s THR 191 Cb 0.17 -1.27 0.15 0.00 1.34 0.00 0.00 72.50 72.89 3h7m s THR 191 CO 0.66 -0.82 1.88 1.55 -0.54 0.00 0.00 174.62 177.35 3h7m h PRO 192 N 3.27 0.41 -0.81 3.99 0.13 -1.84 -2.26 132.00 134.88 3h7m h PRO 192 Ca -0.34 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 3h7m h PRO 192 Cb 1.17 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 3h7m h PRO 192 CO 0.59 0.50 0.42 0.00 -0.23 0.00 0.00 178.00 179.28 3h7m h ALA 193 N 1.54 1.21 -0.25 -0.56 0.00 -1.95 0.29 119.26 119.54 3h7m h ALA 193 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3h7m h ALA 193 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h7m h ALA 193 CO 0.02 0.62 0.01 -0.44 0.00 0.00 0.00 179.25 179.45 3h7m h ASP 194 N 1.14 0.34 -0.16 0.00 3.32 -1.82 0.18 116.42 119.42 3h7m h ASP 194 Ca 0.28 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 3h7m h ASP 194 Cb 0.06 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3h7m h ASP 194 CO -0.04 0.40 0.04 0.00 -1.72 0.00 0.00 179.24 177.92 3h7m h ALA 195 N 1.65 0.21 0.00 3.45 0.00 -0.69 -2.55 119.26 121.33 3h7m h ALA 195 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3h7m h ALA 195 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3h7m h ALA 195 CO 0.00 -0.16 -0.29 -0.07 0.00 0.00 0.00 179.25 178.74 3h7m h LEU 196 N 0.07 0.00 -0.38 0.00 3.38 -0.11 -2.31 115.31 115.96 3h7m h LEU 196 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3h7m h LEU 196 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3h7m h LEU 196 CO -0.00 0.29 -0.15 0.03 0.09 0.00 0.00 178.44 178.70 3h7m h ARG 197 N 0.00 0.77 -0.54 1.13 3.08 -0.53 -0.39 114.38 117.90 3h7m h ARG 197 Ca -0.00 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 3h7m h ARG 197 Cb 0.53 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3h7m h ARG 197 CO 0.04 0.94 0.21 1.25 -1.07 0.00 0.00 179.97 181.34 3h7m h LEU 198 N 0.57 0.75 -0.35 3.04 5.85 -1.16 0.24 115.31 124.26 3h7m h LEU 198 Ca 0.09 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3h7m h LEU 198 Cb 0.68 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3h7m h LEU 198 CO 0.05 0.72 0.22 0.25 -0.34 0.00 0.00 178.44 179.34 3h7m h LEU 199 N 0.74 0.41 -1.27 2.25 5.85 -1.29 0.31 115.31 122.31 3h7m h LEU 199 Ca 0.18 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3h7m h LEU 199 Cb 0.21 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3h7m h LEU 199 CO -0.01 0.33 0.49 0.00 -0.34 0.00 0.00 178.44 178.91 3h7m h ALA 200 N 1.10 1.48 -0.05 1.25 0.00 -0.44 -1.32 119.26 121.28 3h7m h ALA 200 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3h7m h ALA 200 Cb -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3h7m h ALA 200 CO -0.02 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.71 3h7m n ALA 201 N -2.42 2.49 -1.85 0.00 0.00 0.80 -4.86 120.51 114.66 3h7m n ALA 201 Ca 0.08 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3h7m n ALA 201 Cb 0.04 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 3h7m n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h7m n GLY 202 N 0.57 0.98 0.40 0.00 0.00 -0.50 -4.88 105.19 101.76 3h7m n GLY 202 Ca 0.02 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3h7m n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h7m n GLY 203 N -0.80 -0.17 3.83 -0.02 0.00 0.10 -4.94 105.19 103.19 3h7m n GLY 203 Ca -0.20 -0.41 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 3h7m n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7m n ASP 205 N -0.99 0.98 -3.96 0.00 8.00 -0.40 -4.75 116.55 115.42 3h7m n ASP 205 Ca -0.06 0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.52 3h7m n ASP 205 Cb 0.60 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.72 3h7m n ASP 205 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3h7m s TYR 206 N -2.55 0.36 -0.01 1.24 2.02 -0.63 -4.73 117.35 113.05 3h7m s TYR 206 Ca -0.14 -0.71 -0.04 0.00 -0.37 0.00 0.00 57.07 55.81 3h7m s TYR 206 Cb 0.07 0.08 0.00 0.00 -0.40 0.00 0.00 41.96 41.71 3h7m s TYR 206 CO 0.79 -0.85 0.09 0.00 -1.57 0.00 0.00 175.55 174.01 3h7m s ALA 207 N -3.99 -0.22 -0.15 3.71 0.00 -0.85 -1.24 121.76 119.02 3h7m s ALA 207 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3h7m s ALA 207 Cb 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3h7m s ALA 207 CO 0.04 -0.13 -0.10 0.54 0.00 0.00 0.00 175.76 176.12 3h7m s VAL 208 N -0.73 1.34 0.24 0.00 0.11 -0.79 -0.35 120.40 120.22 3h7m s VAL 208 Ca -0.08 -0.62 -0.08 0.00 -2.93 0.00 0.00 61.98 58.26 3h7m s VAL 208 Cb -0.05 -1.37 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 3h7m s VAL 208 CO 0.00 0.30 0.36 0.68 -3.33 0.00 0.00 175.10 173.12 3h7m s VAL 209 N 1.56 0.00 0.20 2.04 -7.23 -1.03 -4.42 120.40 111.52 3h7m s VAL 209 Ca 0.03 -1.62 -0.32 0.00 -1.81 0.00 0.00 61.98 58.26 3h7m s VAL 209 Cb -0.14 -2.33 -0.11 0.00 0.56 0.00 0.00 36.38 34.36 3h7m s VAL 209 CO -0.09 0.00 1.65 0.00 -0.31 0.00 0.00 175.10 176.36 3h7m s ALA 210 N -4.00 3.87 0.10 1.32 0.00 -1.26 -1.68 121.76 120.10 3h7m s ALA 210 Ca 0.28 1.51 -0.25 0.00 0.00 0.00 0.00 51.96 53.50 3h7m s ALA 210 Cb 0.02 -3.66 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 3h7m s ALA 210 CO 0.11 -0.88 1.41 1.98 0.00 0.00 0.00 175.76 178.38 3h7m h MET 211 N 6.62 -0.31 0.18 0.00 4.05 -1.58 -0.09 114.93 123.79 3h7m h MET 211 Ca -0.43 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.01 3h7m h MET 211 Cb 1.20 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.07 3h7m h MET 211 CO 0.93 -0.21 -0.14 0.28 0.23 0.00 0.00 176.91 178.00 3h7m h VAL 212 N -0.33 0.69 -0.65 -5.77 2.07 -1.91 0.39 116.25 110.75 3h7m h VAL 212 Ca 0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.67 3h7m h VAL 212 Cb 0.46 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3h7m h VAL 212 CO -0.43 0.00 0.44 -0.65 0.02 0.00 0.00 177.57 176.95 3h7m h PRO 213 N -0.33 0.44 0.40 1.57 0.11 -1.70 -0.39 132.00 132.10 3h7m h PRO 213 Ca -0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3h7m h PRO 213 Cb 0.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3h7m h PRO 213 CO -0.01 0.29 -0.29 0.78 -0.21 0.00 0.00 178.00 178.56 3h7m h GLY 214 N 0.45 -0.73 0.97 -0.55 0.00 0.96 0.34 103.07 104.51 3h7m h GLY 214 Ca 0.30 0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.97 3h7m h GLY 214 CO -0.09 -0.27 0.36 -0.33 0.00 0.00 0.00 176.54 176.21 3h7m h MET 215 N -0.68 0.71 -0.77 4.80 2.86 -0.29 0.53 114.93 122.10 3h7m h MET 215 Ca -0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3h7m h MET 215 Cb 0.58 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 3h7m h MET 215 CO 0.01 0.47 0.42 1.88 1.06 0.00 0.00 176.91 180.76 3h7m h TYR 216 N 0.74 1.04 -0.26 -0.22 -1.99 -0.74 -2.13 116.97 113.40 3h7m h TYR 216 Ca 0.21 -0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.77 3h7m h TYR 216 Cb -0.06 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.33 3h7m h TYR 216 CO -0.04 0.72 -0.45 0.82 -0.00 0.00 0.00 178.16 179.21 3h7m h ILE 217 N 1.07 1.30 -0.81 -2.88 2.04 0.25 -1.31 117.51 117.17 3h7m h ILE 217 Ca 0.27 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 3h7m h ILE 217 Cb 0.02 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3h7m h ILE 217 CO -0.04 0.52 0.41 0.40 0.00 0.00 0.00 178.15 179.44 3h7m h ILE 218 N 0.54 1.25 -0.03 -0.67 2.04 -0.35 0.19 117.51 120.48 3h7m h ILE 218 Ca 0.04 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 3h7m h ILE 218 Cb 0.99 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3h7m h ILE 218 CO 0.09 0.29 -0.09 -0.09 0.00 0.00 0.00 178.15 178.35 3h7m h ARG 219 N 1.14 0.12 -0.41 2.37 2.43 -1.26 -0.75 114.38 118.03 3h7m h ARG 219 Ca 0.28 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3h7m h ARG 219 Cb 0.08 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3h7m h ARG 219 CO -0.04 0.69 0.07 1.49 -1.51 0.00 0.00 179.97 180.67 3h7m h GLU 220 N -0.44 0.67 -0.59 0.20 4.81 -1.02 -2.82 114.58 115.40 3h7m h GLU 220 Ca -0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3h7m h GLU 220 Cb 0.70 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3h7m h GLU 220 CO 0.02 0.71 0.00 0.09 -0.73 0.00 0.00 179.01 179.10 3h7m n ASN 221 N -4.52 3.35 -4.02 1.04 5.03 0.04 -4.95 115.26 111.22 3h7m n ASN 221 Ca -0.00 -2.16 -0.29 0.00 0.87 0.00 0.00 54.58 53.00 3h7m n ASN 221 Cb 0.23 -0.43 -0.02 0.00 -1.02 0.00 0.00 39.78 38.54 3h7m n ASN 221 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3h7m n ARG 222 N 0.98 -3.51 -2.30 3.52 1.74 -0.71 -4.85 116.66 111.53 3h7m n ARG 222 Ca 0.19 0.42 -0.42 0.00 -0.77 0.00 0.00 57.85 57.27 3h7m n ARG 222 Cb 0.58 -4.80 0.00 0.00 -1.02 0.00 0.00 32.46 27.22 3h7m n ARG 222 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h7m n LEU 223 N -4.42 6.89 0.00 0.55 4.77 -0.37 -4.79 117.00 119.63 3h7m n LEU 223 Ca -0.16 -4.71 0.07 0.00 -0.03 0.00 0.00 56.01 51.19 3h7m n LEU 223 Cb 0.61 -1.45 0.44 0.00 -2.33 0.00 0.00 43.42 40.69 3h7m n LEU 223 CO 0.78 1.51 0.71 0.35 -1.33 0.00 0.00 177.39 179.41 3h7m n THR 224 N 2.99 0.00 1.06 -5.08 -2.24 -1.26 -2.18 114.28 107.57 3h7m n THR 224 Ca 0.43 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.33 3h7m n THR 224 Cb 0.34 -0.38 0.14 0.00 -2.10 0.00 0.00 70.33 68.33 3h7m n THR 224 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3h7m n ASN 225 N -0.78 2.59 -4.85 3.42 6.94 -1.26 -4.95 115.26 116.36 3h7m n ASN 225 Ca 0.11 -1.82 -0.37 0.00 -0.02 0.00 0.00 54.58 52.48 3h7m n ASN 225 Cb 0.05 0.10 -0.06 0.00 -2.36 0.00 0.00 39.78 37.51 3h7m n ASN 225 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3h7m s LEU 226 N -2.11 4.43 0.03 -4.53 1.43 -0.93 -0.35 118.68 116.66 3h7m s LEU 226 Ca 0.27 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 3h7m s LEU 226 Cb 0.20 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 3h7m s LEU 226 CO 0.36 0.31 -0.06 0.68 0.23 0.00 0.00 176.35 177.87 3h7m s VAL 227 N -1.14 0.34 -0.32 -1.59 -7.23 -0.02 -4.89 120.40 105.54 3h7m s VAL 227 Ca 0.24 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 59.21 3h7m s VAL 227 Cb -0.15 -0.44 -0.00 0.00 0.56 0.00 0.00 36.38 36.34 3h7m s VAL 227 CO 0.13 -0.43 0.70 -2.16 -0.31 0.00 0.00 175.10 173.03 3h7m s PRO 228 N -1.50 3.86 -0.22 4.82 0.04 -1.26 -1.17 135.00 139.56 3h7m s PRO 228 Ca -0.13 0.34 -0.19 0.00 0.04 0.00 0.00 61.00 61.07 3h7m s PRO 228 Cb -0.10 -3.75 -0.16 0.00 0.04 0.00 0.00 34.50 30.53 3h7m s PRO 228 CO -0.00 -0.67 0.02 1.55 0.04 0.00 0.00 177.00 177.94 3h7m n VAL 229 N 5.53 1.53 -3.45 -0.36 3.14 0.29 -4.80 118.33 120.19 3h7m n VAL 229 Ca 0.01 -0.11 -0.43 0.00 -2.96 0.00 0.00 64.34 60.85 3h7m n VAL 229 Cb 0.48 -2.03 -0.10 0.00 -1.06 0.00 0.00 33.84 31.14 3h7m n VAL 229 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3h7m s ALA 230 N -2.44 3.48 0.32 1.55 0.00 -0.97 -4.92 121.76 118.79 3h7m s ALA 230 Ca -0.31 -1.73 0.05 0.00 0.00 0.00 0.00 51.96 49.97 3h7m s ALA 230 Cb 0.08 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 20.35 3h7m s ALA 230 CO 0.54 -1.48 0.41 0.54 0.00 0.00 0.00 175.76 175.77 3h7m n ARG 231 N 5.18 0.82 -1.91 0.00 1.74 -1.26 0.13 116.66 121.36 3h7m n ARG 231 Ca -0.11 -1.79 -0.07 0.00 -0.77 0.00 0.00 57.85 55.11 3h7m n ARG 231 Cb 0.47 -0.08 -0.01 0.00 -1.02 0.00 0.00 32.46 31.82 3h7m n ARG 231 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3h7m n SER 232 N -2.50 -0.54 -4.83 0.55 7.64 -1.22 -4.88 113.62 107.84 3h7m n SER 232 Ca 0.07 -0.11 -0.35 0.00 1.01 0.00 0.00 58.87 59.50 3h7m n SER 232 Cb 0.34 -0.50 -0.07 0.00 -1.01 0.00 0.00 64.21 62.98 3h7m n SER 232 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3h7m s ILE 233 N -1.27 5.12 -0.84 0.44 -4.36 -1.15 -4.73 121.20 114.42 3h7m s ILE 233 Ca 0.15 -0.06 -0.02 0.00 -0.26 0.00 0.00 60.65 60.45 3h7m s ILE 233 Cb -0.08 -3.27 -0.02 0.00 1.25 0.00 0.00 42.46 40.34 3h7m s ILE 233 CO 0.18 0.51 0.75 0.00 0.24 0.00 0.00 174.94 176.63 3h7m n ALA 234 N 1.68 -2.52 -1.77 2.27 0.00 -1.26 -1.68 120.51 117.24 3h7m n ALA 234 Ca -0.17 0.01 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 3h7m n ALA 234 Cb 0.54 -2.66 -0.02 0.00 0.00 0.00 0.00 19.45 17.31 3h7m n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h7m s ALA 235 N -3.12 3.35 0.12 0.00 0.00 -1.26 -3.90 121.76 116.96 3h7m s ALA 235 Ca 0.14 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.36 3h7m s ALA 235 Cb -0.02 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3h7m s ALA 235 CO 0.76 -0.64 -0.25 -0.65 0.00 0.00 0.00 175.76 174.99 3h7m s GLN 236 N -1.99 1.30 -0.33 0.00 -1.52 0.90 -4.92 119.66 113.09 3h7m s GLN 236 Ca 0.52 -1.28 -0.16 0.00 -1.95 0.00 0.00 55.36 52.50 3h7m s GLN 236 Cb -0.37 -1.70 -0.01 0.00 -0.22 0.00 0.00 33.01 30.71 3h7m s GLN 236 CO 0.48 0.40 0.39 1.03 -0.25 0.00 0.00 175.29 177.34 3h7m s ARG 237 N -2.02 3.63 -0.12 2.91 0.52 -1.26 -0.42 118.95 122.19 3h7m s ARG 237 Ca 0.11 -0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 3h7m s ARG 237 Cb -0.10 -3.79 -0.01 0.00 0.52 0.00 0.00 34.95 31.57 3h7m s ARG 237 CO 0.05 -0.51 -0.16 -0.47 0.02 0.00 0.00 175.30 174.23 3h7m s TYR 238 N 2.09 2.74 0.00 -0.53 5.04 0.27 -0.32 117.35 126.64 3h7m s TYR 238 Ca 0.13 -0.75 0.00 0.00 -2.44 0.00 0.00 57.07 54.01 3h7m s TYR 238 Cb -0.16 -1.80 0.00 0.00 0.35 0.00 0.00 41.96 40.34 3h7m s TYR 238 CO 0.12 -0.27 0.00 0.41 -1.34 0.00 0.00 175.55 174.47 3h7m n GLY 239 N 3.51 1.54 3.85 8.97 0.00 -0.45 -0.20 105.19 122.41 3h7m n GLY 239 Ca -0.18 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 3h7m n GLY 239 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h7m s TYR 240 N -2.74 3.24 -0.15 1.61 1.51 -1.24 -0.99 117.35 118.59 3h7m s TYR 240 Ca 0.00 1.19 -0.23 0.00 -1.01 0.00 0.00 57.07 57.01 3h7m s TYR 240 Cb 0.00 -2.98 0.06 0.00 -0.11 0.00 0.00 41.96 38.93 3h7m s TYR 240 CO 0.00 -1.22 0.60 0.00 -1.11 0.00 0.00 175.55 173.81 3h7m s ALA 241 N -3.22 -1.50 0.21 3.71 0.00 -0.21 -2.09 121.76 118.66 3h7m s ALA 241 Ca 0.58 1.44 0.01 0.00 0.00 0.00 0.00 51.96 54.00 3h7m s ALA 241 Cb -0.12 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 3h7m s ALA 241 CO 0.53 -0.31 0.05 0.14 0.00 0.00 0.00 175.76 176.18 3h7m s VAL 242 N -0.31 0.59 0.31 0.00 -7.23 -0.55 -0.74 120.40 112.47 3h7m s VAL 242 Ca -0.05 -1.99 -0.28 0.00 -1.81 0.00 0.00 61.98 57.85 3h7m s VAL 242 Cb -0.03 -2.38 -0.13 0.00 0.56 0.00 0.00 36.38 34.39 3h7m s VAL 242 CO 0.04 -0.23 1.14 0.54 -0.31 0.00 0.00 175.10 176.28 3h7m n ARG 243 N -0.35 1.68 -1.58 4.82 1.74 -1.26 -0.95 116.66 120.75 3h7m n ARG 243 Ca -0.03 0.59 -0.52 0.00 -0.77 0.00 0.00 57.85 57.12 3h7m n ARG 243 Cb 0.65 -2.06 -0.06 0.00 -1.02 0.00 0.00 32.46 29.97 3h7m n ARG 243 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3h7m n GLN 244 N 0.73 1.11 -2.16 5.56 -0.06 -1.22 -2.21 117.38 119.13 3h7m n GLN 244 Ca 0.08 0.40 -0.06 0.00 -2.00 0.00 0.00 57.00 55.42 3h7m n GLN 244 Cb 0.33 -2.01 -0.00 0.00 -4.06 0.00 0.00 30.24 24.51 3h7m n GLN 244 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3h7m n GLY 245 N 2.39 0.16 2.00 1.69 0.00 -1.26 -4.95 105.19 105.22 3h7m n GLY 245 Ca 0.18 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 3h7m n GLY 245 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h7m n ASP 246 N 0.85 5.31 -0.13 1.61 4.64 -0.94 -4.86 116.55 123.03 3h7m n ASP 246 Ca -0.06 -3.77 0.20 0.00 -1.38 0.00 0.00 54.79 49.78 3h7m n ASP 246 Cb 0.55 -0.50 0.31 0.00 -1.04 0.00 0.00 41.12 40.44 3h7m n ASP 246 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3h7m n ALA 247 N -0.79 0.71 0.10 -1.67 0.00 -1.26 -1.21 120.51 116.39 3h7m n ALA 247 Ca 0.47 0.25 -0.04 0.00 0.00 0.00 0.00 53.44 54.12 3h7m n ALA 247 Cb 0.90 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 3h7m n ALA 247 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3h7m h GLU 248 N 0.00 -0.25 -0.62 0.00 4.22 -1.99 -1.04 114.58 114.91 3h7m h GLU 248 Ca 0.35 0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.92 3h7m h GLU 248 Cb 2.23 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 31.46 3h7m h GLU 248 CO -0.00 -0.16 0.18 1.25 -2.18 0.00 0.00 179.01 178.10 3h7m h LEU 249 N -0.37 0.12 -0.49 1.64 5.85 -1.59 0.11 115.31 120.58 3h7m h LEU 249 Ca -0.03 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.89 3h7m h LEU 249 Cb 0.20 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.24 3h7m h LEU 249 CO 0.04 0.07 -0.16 0.25 -0.34 0.00 0.00 178.44 178.29 3h7m h LEU 250 N 0.33 -0.59 -1.03 2.25 5.85 -1.45 -0.71 115.31 119.96 3h7m h LEU 250 Ca 0.32 0.16 -0.09 0.00 0.84 0.00 0.00 57.88 59.11 3h7m h LEU 250 Cb 0.46 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3h7m h LEU 250 CO -0.37 -0.20 -0.44 0.00 -0.34 0.00 0.00 178.44 177.10 3h7m h ALA 251 N 1.37 1.12 -0.15 1.25 0.00 0.31 -1.29 119.26 121.86 3h7m h ALA 251 Ca 0.23 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h7m h ALA 251 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3h7m h ALA 251 CO -0.53 0.55 0.07 -0.09 0.00 0.00 0.00 179.25 179.25 3h7m h ARG 252 N 0.00 0.22 -0.26 0.00 9.65 0.55 -1.50 114.38 123.05 3h7m h ARG 252 Ca -0.00 -0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 58.66 3h7m h ARG 252 Cb 0.86 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 3h7m h ARG 252 CO 0.06 0.28 -0.55 0.74 2.80 0.00 0.00 179.97 183.29 3h7m h PHE 253 N 0.11 1.05 -0.81 2.20 0.04 -1.03 -2.47 116.94 116.03 3h7m h PHE 253 Ca 0.05 -0.39 -0.01 0.00 2.80 0.00 0.00 57.97 60.43 3h7m h PHE 253 Cb 0.13 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.05 3h7m h PHE 253 CO -0.02 1.21 0.48 0.77 -0.60 0.00 0.00 178.31 180.14 3h7m h SER 254 N 0.59 0.99 -0.36 2.17 0.02 -1.19 0.13 113.55 115.91 3h7m h SER 254 Ca 0.00 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3h7m h SER 254 Cb 1.17 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 3h7m h SER 254 CO 0.12 0.78 0.09 -0.08 -1.14 0.00 0.00 176.83 176.60 3h7m h GLU 255 N 1.12 0.57 -0.42 3.45 4.81 -1.27 0.45 114.58 123.29 3h7m h GLU 255 Ca 0.29 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3h7m h GLU 255 Cb -0.02 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3h7m h GLU 255 CO -0.05 0.61 0.27 0.78 -0.73 0.00 0.00 179.01 179.89 3h7m h GLY 256 N 0.43 0.60 0.99 1.92 0.00 -0.92 0.16 103.07 106.25 3h7m h GLY 256 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3h7m h GLY 256 CO 0.00 0.20 0.16 -2.00 0.00 0.00 0.00 176.54 174.90 3h7m h LEU 257 N 0.55 0.28 -1.14 3.11 5.85 -0.76 0.32 115.31 123.52 3h7m h LEU 257 Ca 0.16 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3h7m h LEU 257 Cb -0.04 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3h7m h LEU 257 CO -0.05 0.20 0.59 0.00 -0.34 0.00 0.00 178.44 178.84 3h7m h ALA 258 N 1.10 1.42 0.02 1.25 0.00 -0.54 -1.34 119.26 121.17 3h7m h ALA 258 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h7m h ALA 258 Cb -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3h7m h ALA 258 CO -0.03 0.51 -0.01 0.82 0.00 0.00 0.00 179.25 180.54 3h7m h ILE 259 N 1.14 1.19 -0.98 0.00 2.04 0.23 -2.19 117.51 118.95 3h7m h ILE 259 Ca 0.35 -0.65 0.16 0.00 1.00 0.00 0.00 64.86 65.71 3h7m h ILE 259 Cb -0.03 1.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 3h7m h ILE 259 CO -0.10 0.17 0.61 -0.07 0.00 0.00 0.00 178.15 178.77 3h7m h LEU 260 N -0.31 0.78 -0.66 1.44 3.38 -0.57 -1.41 115.31 117.97 3h7m h LEU 260 Ca -0.00 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3h7m h LEU 260 Cb 0.30 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3h7m h LEU 260 CO 0.00 0.35 -0.14 0.03 0.09 0.00 0.00 178.44 178.77 3h7m h ARG 261 N 0.80 0.90 0.00 1.13 3.08 -1.00 -2.00 114.38 117.29 3h7m h ARG 261 Ca 0.52 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3h7m h ARG 261 Cb 0.76 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3h7m h ARG 261 CO -0.30 0.98 0.00 0.87 -1.07 0.00 0.00 179.97 180.45 3h7m h LYS 262 N 0.80 0.00 0.00 0.04 1.57 -0.66 -3.24 116.57 115.08 3h7m h LYS 262 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3h7m h LYS 262 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3h7m h LYS 262 CO 0.05 0.00 -1.12 0.25 -0.57 0.00 0.00 179.45 178.06 3h7m n THR 263 N -2.72 0.14 -0.04 -0.16 -2.24 -0.69 -4.96 114.28 103.61 3h7m n THR 263 Ca 0.04 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3h7m n THR 263 Cb 0.43 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3h7m n THR 263 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h7m n GLY 264 N 1.37 0.47 0.20 3.38 0.00 -1.02 -4.93 105.19 104.66 3h7m n GLY 264 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 3h7m n GLY 264 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3h7m h GLN 265 N 4.01 0.32 0.08 1.61 4.15 -1.81 -2.21 115.11 121.26 3h7m h GLN 265 Ca 0.00 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.27 3h7m h GLN 265 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3h7m h GLN 265 CO 0.00 0.69 -0.13 -0.92 -1.93 0.00 0.00 178.83 176.53 3h7m h TYR 266 N 0.26 -0.34 -0.47 3.99 3.20 -1.70 -0.37 116.97 121.54 3h7m h TYR 266 Ca 0.02 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 3h7m h TYR 266 Cb 0.86 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 3h7m h TYR 266 CO 0.02 -0.20 0.01 0.93 -1.64 0.00 0.00 178.16 177.28 3h7m h GLU 267 N -0.27 0.77 -0.72 1.82 4.39 -1.80 0.48 114.58 119.26 3h7m h GLU 267 Ca 0.02 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.55 3h7m h GLU 267 Cb 0.28 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 3h7m h GLU 267 CO -0.08 0.77 0.46 0.00 -1.16 0.00 0.00 179.01 179.00 3h7m h ALA 268 N 1.29 0.93 -0.22 3.43 0.00 -1.00 0.43 119.26 124.12 3h7m h ALA 268 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3h7m h ALA 268 Cb 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3h7m h ALA 268 CO 0.02 0.25 -0.30 0.82 0.00 0.00 0.00 179.25 180.04 3h7m h ILE 269 N 0.90 1.32 -0.74 0.00 2.04 -0.65 -3.23 117.51 117.15 3h7m h ILE 269 Ca 0.28 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.59 3h7m h ILE 269 Cb -0.01 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3h7m h ILE 269 CO -0.10 0.47 0.25 -0.09 0.00 0.00 0.00 178.15 178.68 3h7m h ARG 270 N 0.29 1.13 -0.10 2.37 2.43 -0.29 -2.45 114.38 117.77 3h7m h ARG 270 Ca 0.03 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 58.99 3h7m h ARG 270 Cb 0.88 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3h7m h ARG 270 CO 0.07 0.95 0.09 0.00 -1.51 0.00 0.00 179.97 179.57 3h7m h ALA 271 N 1.13 1.85 -0.61 2.80 0.00 -0.17 -1.97 119.26 122.28 3h7m h ALA 271 Ca 0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3h7m h ALA 271 Cb 0.28 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3h7m h ALA 271 CO -0.01 -0.14 0.38 -0.22 0.00 0.00 0.00 179.25 179.26 3h7m h LYS 272 N 0.00 0.82 -4.41 0.00 3.64 -1.46 -3.37 116.57 111.80 3h7m h LYS 272 Ca 0.05 -0.07 -0.74 0.00 -1.27 0.00 0.00 60.65 58.62 3h7m h LYS 272 Cb 0.22 -0.18 -0.22 0.00 -0.41 0.00 0.00 32.23 31.65 3h7m h LYS 272 CO -0.00 0.58 0.24 -1.58 -2.27 0.00 0.00 179.45 176.42 3h7m s TRP 273 N -6.02 3.31 0.17 1.91 0.52 -0.74 -5.03 118.94 113.06 3h7m s TRP 273 Ca -0.13 -1.45 -0.33 0.00 0.02 0.00 0.00 56.10 54.21 3h7m s TRP 273 Cb 0.13 -3.99 -0.16 0.00 -1.15 0.00 0.00 33.47 28.31 3h7m s TRP 273 CO 0.76 -1.21 1.17 1.28 0.02 0.00 0.00 176.95 178.98 3h7m n LEU 274 N 5.46 1.58 0.00 2.99 4.77 -1.26 -1.91 117.00 128.63 3h7m n LEU 274 Ca 0.06 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 3h7m n LEU 274 Cb 0.45 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 3h7m n LEU 274 CO 0.47 -1.27 0.00 0.61 -1.33 0.00 0.00 177.39 175.87 3h7m n GLY 275 N 2.02 2.81 3.67 -0.72 0.00 -1.26 -5.01 105.19 106.70 3h7m n GLY 275 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3h7m n GLY 275 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h7m s VAL 276 N -2.06 3.76 0.49 1.61 1.01 -0.80 -4.98 120.40 119.43 3h7m s VAL 276 Ca 0.00 0.97 0.02 0.00 0.00 0.00 0.00 61.98 62.97 3h7m s VAL 276 Cb 0.00 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3h7m s VAL 276 CO 0.00 -0.07 0.70 -0.76 0.00 0.00 0.00 175.10 174.97 3h7m s LEU 277 N 3.60 3.49 0.06 3.92 1.43 -1.26 -4.94 118.68 124.98 3h7m s LEU 277 Ca 0.67 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.88 3h7m s LEU 277 Cb -0.30 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 3h7m s LEU 277 CO 0.25 -0.90 -0.20 -1.83 0.23 0.00 0.00 176.35 173.90 3h7m s GLU 278 N -4.61 1.31 0.00 1.70 -1.05 -1.26 -4.02 118.70 110.77 3h7m s GLU 278 Ca 0.53 -0.98 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 3h7m s GLU 278 Cb -0.10 -1.45 0.00 0.00 -0.44 0.00 0.00 34.13 32.14 3h7m s GLU 278 CO 0.37 0.36 0.28 -2.30 0.95 0.00 0.00 175.26 174.93