#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h76 s ASN 2 N 0.00 6.97 0.77 1.61 0.01 -0.57 -4.41 114.94 119.32 3h76 s ASN 2 Ca 0.00 2.45 -0.15 0.00 -0.71 0.00 0.00 52.86 54.46 3h76 s ASN 2 Cb 0.00 -2.63 0.05 0.00 0.41 0.00 0.00 41.25 39.08 3h76 s ASN 2 CO 0.00 -0.41 1.16 -2.65 -1.51 0.00 0.00 177.10 173.69 3h76 n PRO 3 N 1.58 0.39 -4.44 -0.60 -0.02 -1.26 -3.33 135.00 127.33 3h76 n PRO 3 Ca 0.02 0.20 -0.25 0.00 -2.02 0.00 0.00 63.50 61.45 3h76 n PRO 3 Cb 0.43 -2.40 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 3h76 n PRO 3 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3h76 s ILE 4 N -1.94 2.48 -0.78 4.25 -4.36 -0.56 -1.49 121.20 118.80 3h76 s ILE 4 Ca 0.75 -2.19 -0.22 0.00 -0.26 0.00 0.00 60.65 58.73 3h76 s ILE 4 Cb -0.32 -2.25 0.08 0.00 1.25 0.00 0.00 42.46 41.23 3h76 s ILE 4 CO 0.49 -0.26 1.08 -0.76 0.24 0.00 0.00 174.94 175.73 3h76 s LEU 5 N -3.11 4.42 0.19 0.37 1.43 -1.26 -1.66 118.68 119.05 3h76 s LEU 5 Ca 0.26 -1.32 0.09 0.00 -1.03 0.00 0.00 54.13 52.14 3h76 s LEU 5 Cb -0.07 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 3h76 s LEU 5 CO 0.13 -1.36 1.39 0.00 0.23 0.00 0.00 176.35 176.74 3h76 h ALA 6 N 9.40 0.55 -2.45 4.21 0.00 -0.77 -3.47 119.26 126.74 3h76 h ALA 6 Ca -0.11 -0.75 -0.11 0.00 0.00 0.00 0.00 54.91 53.95 3h76 h ALA 6 Cb 1.05 -0.13 -0.20 0.00 0.00 0.00 0.00 17.79 18.51 3h76 h ALA 6 CO 1.19 1.03 -0.21 0.20 0.00 0.00 0.00 179.25 181.46 3h76 s GLY 7 N -4.61 -0.22 0.02 0.00 0.00 -1.15 -3.82 107.32 97.55 3h76 s GLY 7 Ca 0.01 0.51 0.02 0.00 0.00 0.00 0.00 44.72 45.26 3h76 s GLY 7 CO 0.79 0.29 -0.06 1.08 0.00 0.00 0.00 173.10 175.20 3h76 s LEU 8 N -1.22 2.17 0.04 0.66 1.02 -1.26 -0.24 118.68 119.84 3h76 s LEU 8 Ca -0.12 -0.38 -0.21 0.00 0.02 0.00 0.00 54.13 53.44 3h76 s LEU 8 Cb -0.04 -0.16 0.05 0.00 0.02 0.00 0.00 46.19 46.05 3h76 s LEU 8 CO 0.05 -0.12 0.48 -0.83 0.02 0.00 0.00 176.35 175.95 3h76 s GLY 9 N -1.05 -0.37 0.11 -3.19 0.00 0.04 -3.59 107.32 99.29 3h76 s GLY 9 Ca -0.06 0.51 -0.11 0.00 0.00 0.00 0.00 44.72 45.05 3h76 s GLY 9 CO 0.00 0.23 0.28 -0.11 0.00 0.00 0.00 173.10 173.50 3h76 s PHE 10 N -2.36 0.06 -0.21 1.90 -0.12 -1.26 -0.28 117.98 115.71 3h76 s PHE 10 Ca -0.06 -0.44 -0.10 0.00 -0.05 0.00 0.00 56.93 56.28 3h76 s PHE 10 Cb -0.01 0.06 0.07 0.00 -0.63 0.00 0.00 43.02 42.52 3h76 s PHE 10 CO -0.01 -0.63 0.48 0.45 -0.05 0.00 0.00 175.22 175.46 3h76 s SER 11 N -2.86 -0.58 0.09 1.98 0.15 -0.65 -4.48 113.70 107.35 3h76 s SER 11 Ca 0.06 1.08 0.06 0.00 0.70 0.00 0.00 55.95 57.86 3h76 s SER 11 Cb 0.03 1.13 -0.03 0.00 -1.71 0.00 0.00 66.02 65.44 3h76 s SER 11 CO -0.10 -0.21 -0.17 -0.76 1.20 0.00 0.00 173.24 173.21 3h76 s LEU 12 N 1.82 2.30 0.86 3.45 1.43 -1.26 -1.54 118.68 125.74 3h76 s LEU 12 Ca -0.08 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 3h76 s LEU 12 Cb -0.09 -0.66 0.11 0.00 0.03 0.00 0.00 46.19 45.59 3h76 s LEU 12 CO -0.15 -0.04 1.15 -2.84 0.23 0.00 0.00 176.35 174.71 3h76 s PRO 13 N -1.91 1.41 0.07 1.29 0.02 -1.26 -4.99 135.00 129.62 3h76 s PRO 13 Ca 0.02 1.52 0.08 0.00 0.02 0.00 0.00 61.00 62.64 3h76 s PRO 13 Cb -0.09 -1.77 -0.22 0.00 0.02 0.00 0.00 34.50 32.43 3h76 s PRO 13 CO 0.03 -2.34 1.09 0.87 -0.33 0.00 0.00 177.00 176.33 3h76 h LYS 14 N -1.50 0.02 -6.15 5.54 1.57 -1.96 -3.43 116.57 110.66 3h76 h LYS 14 Ca -0.44 -0.04 -0.58 0.00 -1.87 0.00 0.00 60.65 57.73 3h76 h LYS 14 Cb 1.27 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.53 3h76 h LYS 14 CO 0.44 0.88 0.84 0.50 -0.57 0.00 0.00 179.45 181.55 3h76 s ARG 15 N -2.67 4.20 0.07 3.15 3.52 -1.25 -4.98 118.95 120.99 3h76 s ARG 15 Ca -0.01 1.38 -0.28 0.00 -0.13 0.00 0.00 55.73 56.69 3h76 s ARG 15 Cb 0.09 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.73 3h76 s ARG 15 CO 0.82 -0.72 0.87 -1.14 -0.81 0.00 0.00 175.30 174.32 3h76 s GLN 16 N 3.40 4.59 -0.22 5.12 0.74 -1.26 -1.50 119.66 130.53 3h76 s GLN 16 Ca 0.47 1.26 0.01 0.00 0.05 0.00 0.00 55.36 57.16 3h76 s GLN 16 Cb -0.16 -3.38 0.05 0.00 1.10 0.00 0.00 33.01 30.61 3h76 s GLN 16 CO 0.10 0.22 -0.12 0.08 -0.55 0.00 0.00 175.29 175.03 3h76 s VAL 17 N 0.07 1.85 0.70 1.34 1.01 0.92 -4.95 120.40 121.35 3h76 s VAL 17 Ca 0.43 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 3h76 s VAL 17 Cb -0.22 -1.91 0.08 0.00 0.00 0.00 0.00 36.38 34.33 3h76 s VAL 17 CO 0.26 0.15 1.00 -0.94 0.00 0.00 0.00 175.10 175.57 3h76 s SER 18 N 1.29 4.69 0.31 3.32 1.04 -1.26 -2.20 113.70 120.90 3h76 s SER 18 Ca -0.03 0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.67 3h76 s SER 18 Cb -0.17 -0.87 0.51 0.00 0.10 0.00 0.00 66.02 65.60 3h76 s SER 18 CO -0.08 -1.65 1.90 0.78 0.98 0.00 0.00 173.24 175.17 3h76 h ASN 19 N -0.57 0.72 0.19 7.02 2.35 -1.80 -2.93 115.58 120.56 3h76 h ASN 19 Ca -0.43 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.17 3h76 h ASN 19 Cb 1.30 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 3h76 h ASN 19 CO 0.55 0.65 -0.25 0.45 -1.65 0.00 0.00 177.43 177.18 3h76 h HIS 20 N 0.79 0.11 0.00 1.19 3.86 -1.93 -1.84 115.15 117.33 3h76 h HIS 20 Ca 0.19 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.34 3h76 h HIS 20 Cb 0.14 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3h76 h HIS 20 CO 0.01 0.35 -0.22 -0.44 0.86 0.00 0.00 177.93 178.49 3h76 h ASP 21 N 0.10 0.00 0.58 2.45 3.32 -1.88 -3.18 116.42 117.80 3h76 h ASP 21 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3h76 h ASP 21 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3h76 h ASP 21 CO 0.03 0.22 -1.08 0.18 -1.72 0.00 0.00 179.24 176.88 3h76 n LEU 22 N -3.89 0.62 -0.36 1.55 4.32 -0.72 -4.00 117.00 114.51 3h76 n LEU 22 Ca -0.02 0.10 -0.02 0.00 -0.02 0.00 0.00 56.01 56.05 3h76 n LEU 22 Cb 0.31 -0.09 0.11 0.00 -1.62 0.00 0.00 43.42 42.13 3h76 n LEU 22 CO 0.34 -0.03 1.27 0.58 -1.22 0.00 0.00 177.39 178.33 3h76 h VAL 23 N 0.00 1.23 -1.24 4.08 2.07 -1.45 0.90 116.25 121.84 3h76 h VAL 23 Ca 0.00 -0.44 0.37 0.00 0.82 0.00 0.00 66.70 67.45 3h76 h VAL 23 Cb 0.83 -0.16 -0.11 0.00 -1.52 0.00 0.00 31.29 30.33 3h76 h VAL 23 CO 0.00 0.23 0.81 1.23 0.02 0.00 0.00 177.57 179.86 3h76 h GLY 24 N 1.28 1.12 0.00 2.17 0.00 -1.72 -3.29 103.07 102.62 3h76 h GLY 24 Ca 0.36 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 3h76 h GLY 24 CO -0.09 -0.26 -1.25 0.54 0.00 0.00 0.00 176.54 175.49 3h76 n ARG 25 N -4.60 3.22 -4.42 4.80 1.74 -0.92 -5.01 116.66 111.46 3h76 n ARG 25 Ca 0.32 -0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 57.06 3h76 n ARG 25 Cb 1.25 -1.09 -0.11 0.00 -1.02 0.00 0.00 32.46 31.49 3h76 n ARG 25 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3h76 s ILE 26 N -2.10 4.07 -0.96 0.55 1.01 0.26 -4.84 121.20 119.19 3h76 s ILE 26 Ca -0.02 -0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 3h76 s ILE 26 Cb 0.01 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.77 3h76 s ILE 26 CO 0.15 0.56 1.60 0.21 0.00 0.00 0.00 174.94 177.46 3h76 s ASN 27 N -0.43 6.05 0.22 3.58 2.47 -1.26 -4.39 114.94 121.18 3h76 s ASN 27 Ca 0.07 -1.13 -0.21 0.00 0.42 0.00 0.00 52.86 52.02 3h76 s ASN 27 Cb -0.12 -2.57 0.07 0.00 -1.45 0.00 0.00 41.25 37.19 3h76 s ASN 27 CO 0.02 -1.91 1.01 0.28 -3.72 0.00 0.00 177.10 172.78 3h76 s THR 28 N 6.62 0.00 0.22 -5.21 -1.32 -1.26 -5.03 115.64 109.66 3h76 s THR 28 Ca 0.53 -0.65 -0.00 0.00 -1.21 0.00 0.00 61.69 60.36 3h76 s THR 28 Cb -0.03 -2.98 -0.04 0.00 -1.51 0.00 0.00 72.50 67.94 3h76 s THR 28 CO -0.05 0.00 0.12 -0.94 -2.21 0.00 0.00 174.62 171.54 3h76 s SER 29 N -3.41 0.43 0.33 8.08 1.04 -1.26 -4.81 113.70 114.11 3h76 s SER 29 Ca 0.22 -1.39 0.03 0.00 0.48 0.00 0.00 55.95 55.29 3h76 s SER 29 Cb -0.03 0.33 0.59 0.00 0.10 0.00 0.00 66.02 67.01 3h76 s SER 29 CO 0.07 -0.81 1.89 -0.78 0.98 0.00 0.00 173.24 174.58 3h76 h ASP 30 N 2.55 0.55 0.38 7.02 3.58 -2.00 -2.22 116.42 126.29 3h76 h ASP 30 Ca -0.36 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 3h76 h ASP 30 Cb 1.25 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.16 3h76 h ASP 30 CO 0.55 0.57 -0.18 -0.33 -2.88 0.00 0.00 179.24 176.97 3h76 h GLU 31 N 0.58 -0.49 0.00 0.28 3.07 -1.99 -0.75 114.58 115.28 3h76 h GLU 31 Ca 0.13 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3h76 h GLU 31 Cb 0.26 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3h76 h GLU 31 CO 0.00 -0.20 0.00 1.19 -1.40 0.00 0.00 179.01 178.60 3h76 n PHE 32 N -5.20 0.00 -0.03 4.33 3.01 -1.18 -1.20 117.46 117.19 3h76 n PHE 32 Ca -0.10 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.21 3h76 n PHE 32 Cb 0.28 -0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.65 3h76 n PHE 32 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3h76 h ILE 33 N 0.00 1.42 -0.12 4.37 2.04 -0.88 -1.34 117.51 122.98 3h76 h ILE 33 Ca 0.00 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 3h76 h ILE 33 Cb 0.00 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3h76 h ILE 33 CO 0.00 0.51 0.03 0.58 0.00 0.00 0.00 178.15 179.26 3h76 h VAL 34 N -0.11 1.21 -0.17 1.67 2.07 -1.17 -0.97 116.25 118.78 3h76 h VAL 34 Ca -0.02 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3h76 h VAL 34 Cb 1.01 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 3h76 h VAL 34 CO 0.07 0.19 0.03 -0.08 0.02 0.00 0.00 177.57 177.80 3h76 h GLU 35 N -0.01 0.09 0.00 1.57 4.81 -1.08 -1.33 114.58 118.63 3h76 h GLU 35 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3h76 h GLU 35 Cb 0.27 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3h76 h GLU 35 CO 0.00 0.06 -0.82 0.54 -0.73 0.00 0.00 179.01 178.06 3h76 n ARG 36 N -5.09 0.10 0.00 1.92 1.74 -0.51 -4.57 116.66 110.24 3h76 n ARG 36 Ca -0.03 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3h76 n ARG 36 Cb 0.08 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 3h76 n ARG 36 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3h76 n THR 37 N -1.66 0.00 -0.62 0.55 -2.24 -0.41 -4.73 114.28 105.17 3h76 n THR 37 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3h76 n THR 37 Cb 0.37 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3h76 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h76 n GLY 38 N 1.02 1.70 3.72 3.38 0.00 -0.50 0.44 105.19 114.96 3h76 n GLY 38 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3h76 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h76 s VAL 39 N -3.59 3.83 0.00 1.61 1.01 -1.25 -4.24 120.40 117.77 3h76 s VAL 39 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3h76 s VAL 39 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3h76 s VAL 39 CO 0.00 0.16 0.00 0.54 0.00 0.00 0.00 175.10 175.80 3h76 n ARG 40 N 3.30 1.64 -4.01 2.72 1.74 0.47 -3.93 116.66 118.58 3h76 n ARG 40 Ca 0.07 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 3h76 n ARG 40 Cb 0.46 -0.98 -0.11 0.00 -1.02 0.00 0.00 32.46 30.80 3h76 n ARG 40 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h76 s THR 41 N -1.96 0.24 0.24 0.55 2.01 -0.76 -2.26 115.64 113.70 3h76 s THR 41 Ca 0.00 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.03 3h76 s THR 41 Cb 0.00 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 3h76 s THR 41 CO 0.00 -0.47 0.15 -0.13 -0.69 0.00 0.00 174.62 173.48 3h76 s ARG 42 N -1.54 1.36 -0.03 4.92 3.00 -0.93 -2.55 118.95 123.18 3h76 s ARG 42 Ca -0.14 -1.74 0.06 0.00 0.00 0.00 0.00 55.73 53.92 3h76 s ARG 42 Cb -0.10 0.18 -0.02 0.00 0.00 0.00 0.00 34.95 35.01 3h76 s ARG 42 CO -0.01 -0.43 -0.22 0.71 0.00 0.00 0.00 175.30 175.36 3h76 s TYR 43 N -3.94 2.47 -0.03 -0.53 2.02 -1.26 -0.06 117.35 116.03 3h76 s TYR 43 Ca 0.39 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 3h76 s TYR 43 Cb 0.06 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 3h76 s TYR 43 CO 0.15 0.03 -0.09 -1.01 -1.57 0.00 0.00 175.55 173.06 3h76 s HIS 44 N -0.62 0.96 0.71 2.71 3.76 -0.56 -1.67 115.29 120.58 3h76 s HIS 44 Ca 0.10 -0.24 -0.13 0.00 -0.15 0.00 0.00 55.06 54.63 3h76 s HIS 44 Cb -0.10 -0.69 0.03 0.00 1.11 0.00 0.00 32.58 32.92 3h76 s HIS 44 CO -0.00 -0.11 1.10 0.14 -0.85 0.00 0.00 174.74 175.02 3h76 s VAL 45 N 0.23 3.25 0.64 -0.90 -7.23 -1.26 -3.95 120.40 111.17 3h76 s VAL 45 Ca -0.04 0.50 -0.17 0.00 -1.81 0.00 0.00 61.98 60.47 3h76 s VAL 45 Cb -0.09 -3.01 -0.01 0.00 0.56 0.00 0.00 36.38 33.83 3h76 s VAL 45 CO 0.01 -0.44 1.16 -1.61 -0.31 0.00 0.00 175.10 173.91 3h76 s GLU 46 N -4.44 2.80 0.58 4.82 0.41 -1.26 -4.92 118.70 116.69 3h76 s GLU 46 Ca 0.65 1.63 0.29 0.00 -0.41 0.00 0.00 54.97 57.12 3h76 s GLU 46 Cb -0.19 -1.93 1.49 0.00 -1.78 0.00 0.00 34.13 31.71 3h76 s GLU 46 CO 0.48 -1.29 1.92 -1.35 -0.49 0.00 0.00 175.26 174.53 3h76 h PRO 47 N 0.40 0.00 0.00 0.39 0.11 -2.04 -0.57 132.00 130.29 3h76 h PRO 47 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h76 h PRO 47 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3h76 h PRO 47 CO 0.54 0.00 -0.11 0.39 -0.21 0.00 0.00 178.00 178.61 3h76 n GLU 48 N -3.84 0.01 -4.12 1.05 4.71 -1.26 -4.86 120.64 112.33 3h76 n GLU 48 Ca 0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.91 3h76 n GLU 48 Cb 0.66 -1.51 -0.07 0.00 -1.01 0.00 0.00 31.44 29.51 3h76 n GLU 48 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3h76 s GLN 49 N -3.00 3.09 0.42 3.49 -0.21 -0.22 -5.11 119.66 118.12 3h76 s GLN 49 Ca 0.13 -0.44 0.05 0.00 0.02 0.00 0.00 55.36 55.11 3h76 s GLN 49 Cb 0.19 -2.88 0.05 0.00 1.00 0.00 0.00 33.01 31.36 3h76 s GLN 49 CO 0.57 0.67 0.37 0.00 -2.12 0.00 0.00 175.29 174.78 3h76 n ALA 50 N 1.38 0.71 0.28 6.09 0.00 -1.26 -4.82 120.51 122.87 3h76 n ALA 50 Ca -0.14 -1.66 0.16 0.00 0.00 0.00 0.00 53.44 51.80 3h76 n ALA 50 Cb 0.53 0.64 0.74 0.00 0.00 0.00 0.00 19.45 21.35 3h76 n ALA 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3h76 h VAL 51 N 0.51 0.19 0.00 0.00 3.04 -1.89 -2.32 116.25 115.78 3h76 h VAL 51 Ca -0.25 -0.55 -0.00 0.00 -1.01 0.00 0.00 66.70 64.89 3h76 h VAL 51 Cb 0.96 1.45 -0.00 0.00 -2.01 0.00 0.00 31.29 31.69 3h76 h VAL 51 CO 0.39 0.06 -0.02 0.77 -1.01 0.00 0.00 177.57 177.76 3h76 h SER 52 N 0.00 0.00 0.84 3.17 4.64 -1.96 -1.49 113.55 118.75 3h76 h SER 52 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h76 h SER 52 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3h76 h SER 52 CO 0.01 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 3h76 h ALA 53 N 1.98 1.00 0.00 5.18 0.00 -1.81 -2.34 119.26 123.27 3h76 h ALA 53 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 3h76 h ALA 53 Cb 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3h76 h ALA 53 CO 0.00 0.00 -1.93 1.28 0.00 0.00 0.00 179.25 178.60 3h76 n LEU 54 N -2.54 2.31 -0.13 0.00 4.32 -0.95 -4.52 117.00 115.49 3h76 n LEU 54 Ca 0.02 -0.07 -0.10 0.00 -0.02 0.00 0.00 56.01 55.83 3h76 n LEU 54 Cb 0.26 -0.38 -0.02 0.00 -1.62 0.00 0.00 43.42 41.66 3h76 n LEU 54 CO 0.22 0.68 0.78 0.24 -1.22 0.00 0.00 177.39 178.09 3h76 h MET 55 N 0.00 0.66 0.69 3.23 2.86 -1.11 -2.25 114.93 119.01 3h76 h MET 55 Ca -0.37 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.03 3h76 h MET 55 Cb 1.63 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 33.22 3h76 h MET 55 CO -0.04 0.76 -0.39 0.28 1.06 0.00 0.00 176.91 178.58 3h76 h VAL 56 N 0.48 0.20 -0.84 -2.22 2.07 -1.69 -1.58 116.25 112.67 3h76 h VAL 56 Ca 0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.69 3h76 h VAL 56 Cb 0.46 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 3h76 h VAL 56 CO 0.02 0.00 0.51 1.55 0.02 0.00 0.00 177.57 179.67 3h76 h PRO 57 N -1.01 0.91 -0.39 1.57 0.13 -1.79 0.59 132.00 132.02 3h76 h PRO 57 Ca -0.09 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.05 3h76 h PRO 57 Cb 0.80 -0.21 -0.06 0.00 0.13 0.00 0.00 31.00 31.67 3h76 h PRO 57 CO 0.11 0.60 0.02 0.00 -0.23 0.00 0.00 178.00 178.51 3h76 h ALA 58 N 1.40 0.37 -0.18 -0.56 0.00 -1.32 -1.60 119.26 117.36 3h76 h ALA 58 Ca 0.36 0.10 -0.20 0.00 0.00 0.00 0.00 54.91 55.17 3h76 h ALA 58 Cb 0.17 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3h76 h ALA 58 CO -0.17 -0.38 -0.68 0.00 0.00 0.00 0.00 179.25 178.02 3h76 h ALA 59 N 1.33 0.33 -0.59 0.00 0.00 -1.11 -2.21 119.26 117.00 3h76 h ALA 59 Ca 0.19 -0.57 0.08 0.00 0.00 0.00 0.00 54.91 54.61 3h76 h ALA 59 Cb 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3h76 h ALA 59 CO -0.30 0.64 0.25 0.00 0.00 0.00 0.00 179.25 179.84 3h76 h ARG 60 N 0.52 0.44 -0.34 0.00 3.08 -0.68 -0.95 114.38 116.45 3h76 h ARG 60 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3h76 h ARG 60 Cb 1.31 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 3h76 h ARG 60 CO 0.14 0.29 0.22 0.37 -1.07 0.00 0.00 179.97 179.93 3h76 h GLN 61 N 0.46 0.46 -0.33 0.04 4.15 -1.25 0.15 115.11 118.78 3h76 h GLN 61 Ca 0.29 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.68 3h76 h GLN 61 Cb 0.31 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3h76 h GLN 61 CO -0.26 0.32 0.20 0.00 -1.93 0.00 0.00 178.83 177.17 3h76 h ALA 62 N 1.11 0.42 -0.15 3.38 0.00 -0.94 0.26 119.26 123.33 3h76 h ALA 62 Ca 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3h76 h ALA 62 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3h76 h ALA 62 CO -0.03 -0.15 0.08 0.82 0.00 0.00 0.00 179.25 179.97 3h76 h ILE 63 N 0.42 1.00 -0.35 0.00 2.04 -0.95 -1.42 117.51 118.25 3h76 h ILE 63 Ca 0.13 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 3h76 h ILE 63 Cb -0.02 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3h76 h ILE 63 CO -0.05 0.03 0.16 1.05 0.00 0.00 0.00 178.15 179.34 3h76 h GLU 64 N 0.17 0.51 -0.22 2.37 4.11 -0.59 -2.28 114.58 118.65 3h76 h GLU 64 Ca 0.06 -0.08 0.06 0.00 0.07 0.00 0.00 59.36 59.47 3h76 h GLU 64 Cb 0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3h76 h GLU 64 CO -0.04 0.47 0.18 0.00 0.07 0.00 0.00 179.01 179.70 3h76 h ALA 65 N 1.01 2.03 -0.00 1.06 0.00 -0.32 0.32 119.26 123.36 3h76 h ALA 65 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h76 h ALA 65 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h76 h ALA 65 CO -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 179.25 178.88 3h76 n ALA 66 N -2.47 2.61 -1.77 0.00 0.00 -0.55 -4.69 120.51 113.64 3h76 n ALA 66 Ca 0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 3h76 n ALA 66 Cb 0.32 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 3h76 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h76 n GLY 67 N 1.31 0.64 3.92 0.00 0.00 0.10 -4.90 105.19 106.27 3h76 n GLY 67 Ca 0.13 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 3h76 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h76 s LEU 68 N -3.14 3.53 0.12 0.99 1.43 -0.90 -5.05 118.68 115.66 3h76 s LEU 68 Ca 0.00 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 3h76 s LEU 68 Cb 0.00 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3h76 s LEU 68 CO 0.00 -0.65 0.15 -0.76 0.23 0.00 0.00 176.35 175.32 3h76 s LEU 69 N -4.19 3.95 0.35 1.79 1.43 -1.26 -4.43 118.68 116.31 3h76 s LEU 69 Ca 0.49 0.00 0.10 0.00 -1.03 0.00 0.00 54.13 53.70 3h76 s LEU 69 Cb -0.06 -2.58 0.84 0.00 0.03 0.00 0.00 46.19 44.42 3h76 s LEU 69 CO 0.30 0.11 1.83 -0.65 0.23 0.00 0.00 176.35 178.17 3h76 h PRO 70 N 2.76 0.65 0.00 1.29 0.11 -1.87 0.08 132.00 135.02 3h76 h PRO 70 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h76 h PRO 70 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3h76 h PRO 70 CO 0.66 0.43 0.00 -0.85 -0.21 0.00 0.00 178.00 178.03 3h76 n GLU 71 N -4.62 0.13 0.24 1.05 0.28 -1.26 -1.84 120.64 114.62 3h76 n GLU 71 Ca 0.20 0.46 0.14 0.00 -0.16 0.00 0.00 57.16 57.80 3h76 n GLU 71 Cb 0.56 -1.79 0.44 0.00 1.43 0.00 0.00 31.44 32.07 3h76 n GLU 71 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3h76 h ASP 72 N 0.00 0.00 -3.03 -1.84 3.32 -1.37 -3.44 116.42 110.06 3h76 h ASP 72 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3h76 h ASP 72 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3h76 h ASP 72 CO 0.00 0.05 0.72 -0.63 -1.72 0.00 0.00 179.24 177.66 3h76 s ILE 73 N -3.47 3.77 -0.31 0.35 -1.09 -0.77 -4.51 121.20 115.18 3h76 s ILE 73 Ca 0.03 1.22 0.22 0.00 -2.23 0.00 0.00 60.65 59.89 3h76 s ILE 73 Cb 0.08 -3.78 -0.17 0.00 -1.58 0.00 0.00 42.46 37.00 3h76 s ILE 73 CO 0.61 0.05 0.82 0.47 -1.23 0.00 0.00 174.94 175.65 3h76 n ASP 74 N 4.64 0.47 -3.65 3.58 8.00 0.39 -4.74 116.55 125.24 3h76 n ASP 74 Ca 0.11 -0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 3h76 n ASP 74 Cb 0.44 1.17 -0.08 0.00 -0.02 0.00 0.00 41.12 42.64 3h76 n ASP 74 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3h76 s LEU 75 N -4.50 -0.58 -0.11 0.64 2.96 -1.21 -4.38 118.68 111.51 3h76 s LEU 75 Ca -0.02 1.35 0.02 0.00 -0.22 0.00 0.00 54.13 55.27 3h76 s LEU 75 Cb 0.13 2.29 0.01 0.00 0.50 0.00 0.00 46.19 49.12 3h76 s LEU 75 CO 0.84 -0.23 -0.17 -0.22 -1.32 0.00 0.00 176.35 175.25 3h76 s LEU 76 N 0.47 1.81 -0.10 -0.68 2.96 -0.99 -0.66 118.68 121.48 3h76 s LEU 76 Ca -0.01 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 3h76 s LEU 76 Cb -0.05 -1.15 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 3h76 s LEU 76 CO -0.01 0.05 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.08 3h76 s LEU 77 N 0.84 2.17 -0.11 -0.68 1.43 -0.24 -1.94 118.68 120.15 3h76 s LEU 77 Ca -0.09 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 3h76 s LEU 77 Cb -0.16 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.65 3h76 s LEU 77 CO 0.00 0.17 -0.14 0.68 0.23 0.00 0.00 176.35 177.29 3h76 s VAL 78 N 0.31 1.41 -0.22 -1.59 -7.23 -0.99 -1.11 120.40 110.97 3h76 s VAL 78 Ca -0.17 -0.58 -0.13 0.00 -1.81 0.00 0.00 61.98 59.29 3h76 s VAL 78 Cb -0.17 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 3h76 s VAL 78 CO 0.08 0.42 0.26 0.21 -0.31 0.00 0.00 175.10 175.77 3h76 s ASN 79 N 1.09 6.25 -0.22 4.85 3.84 0.11 -1.26 114.94 129.60 3h76 s ASN 79 Ca -0.05 0.28 -0.27 0.00 0.21 0.00 0.00 52.86 53.04 3h76 s ASN 79 Cb -0.14 -2.16 0.10 0.00 -0.55 0.00 0.00 41.25 38.49 3h76 s ASN 79 CO -0.03 0.01 0.86 0.28 -2.79 0.00 0.00 177.10 175.43 3h76 s THR 80 N 1.16 0.00 -0.27 -5.21 -1.32 -1.26 -2.48 115.64 106.26 3h76 s THR 80 Ca 0.12 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.74 3h76 s THR 80 Cb -0.14 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.20 3h76 s THR 80 CO 0.06 0.00 1.26 0.00 -2.21 0.00 0.00 174.62 173.73 3h76 n LEU 81 N 1.95 3.04 -2.74 9.08 -0.00 -1.26 -4.65 117.00 122.41 3h76 n LEU 81 Ca -0.14 -2.73 -0.18 0.00 -0.00 0.00 0.00 56.01 52.97 3h76 n LEU 81 Cb 0.56 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 3h76 n LEU 81 CO 0.08 0.67 -0.03 -1.54 -0.00 0.00 0.00 177.39 176.58 3h76 n SER 82 N -0.59 2.56 -4.70 1.45 3.41 -1.26 -5.07 113.62 109.42 3h76 n SER 82 Ca 0.15 -3.15 -0.30 0.00 -0.26 0.00 0.00 58.87 55.31 3h76 n SER 82 Cb 0.66 -0.53 0.14 0.00 -0.26 0.00 0.00 64.21 64.22 3h76 n SER 82 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3h76 s PRO 83 N -3.15 1.34 0.23 4.33 0.04 -1.26 -4.42 135.00 132.11 3h76 s PRO 83 Ca 0.38 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 3h76 s PRO 83 Cb 0.40 -1.79 0.38 0.00 0.04 0.00 0.00 34.50 33.53 3h76 s PRO 83 CO -0.07 -2.29 1.76 -0.44 0.04 0.00 0.00 177.00 176.01 3h76 h ASP 84 N -1.60 0.38 -4.41 6.66 5.19 -1.96 -3.44 116.42 117.24 3h76 h ASP 84 Ca -0.46 0.08 -0.28 0.00 -0.62 0.00 0.00 57.03 55.75 3h76 h ASP 84 Cb 1.26 0.03 -0.15 0.00 0.18 0.00 0.00 39.33 40.65 3h76 h ASP 84 CO 0.49 0.20 -0.68 -1.00 -3.12 0.00 0.00 179.24 175.12 3h76 s HIS 85 N -6.04 1.13 0.09 4.55 3.76 -1.26 -5.00 115.29 112.52 3h76 s HIS 85 Ca -0.13 -0.93 -0.18 0.00 -0.15 0.00 0.00 55.06 53.67 3h76 s HIS 85 Cb 0.19 -0.63 -0.07 0.00 1.11 0.00 0.00 32.58 33.17 3h76 s HIS 85 CO 0.76 -0.13 1.53 1.25 -0.85 0.00 0.00 174.74 177.30 3h76 h HIS 86 N 2.79 0.54 -2.24 1.40 2.76 -2.01 -3.47 115.15 114.91 3h76 h HIS 86 Ca -0.36 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 57.68 3h76 h HIS 86 Cb 1.19 -0.14 -0.17 0.00 1.55 0.00 0.00 27.41 29.84 3h76 h HIS 86 CO 0.57 0.64 0.23 0.16 -1.30 0.00 0.00 177.93 178.24 3h76 s ASP 87 N -6.00 -0.60 0.00 3.26 1.47 -1.26 -4.86 116.67 108.68 3h76 s ASP 87 Ca -0.13 0.48 0.00 0.00 1.18 0.00 0.00 52.55 54.07 3h76 s ASP 87 Cb 0.08 0.53 0.00 0.00 -0.34 0.00 0.00 42.92 43.19 3h76 s ASP 87 CO 0.76 -0.69 0.00 -0.81 0.68 0.00 0.00 175.17 175.11 3h76 n PRO 88 N 0.51 3.47 -2.25 2.11 -0.04 -1.26 -5.13 135.00 132.41 3h76 n PRO 88 Ca -0.17 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.97 3h76 n PRO 88 Cb 0.59 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.03 3h76 n PRO 88 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3h76 s SER 89 N -1.00 6.44 0.40 3.54 1.04 -1.26 -4.84 113.70 118.02 3h76 s SER 89 Ca 0.00 1.57 0.14 0.00 0.48 0.00 0.00 55.95 58.14 3h76 s SER 89 Cb 0.00 -2.50 0.83 0.00 0.10 0.00 0.00 66.02 64.44 3h76 s SER 89 CO 0.00 -0.71 1.88 -0.61 0.98 0.00 0.00 173.24 174.78 3h76 h GLN 90 N 0.61 0.00 -0.30 4.02 5.75 -1.93 -2.41 115.11 120.84 3h76 h GLN 90 Ca -0.46 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.03 3h76 h GLN 90 Cb 1.19 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.73 3h76 h GLN 90 CO 0.61 0.31 0.17 0.00 -2.65 0.00 0.00 178.83 177.27 3h76 h ALA 91 N 1.69 0.38 -0.28 3.38 0.00 -1.90 -1.18 119.26 121.35 3h76 h ALA 91 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3h76 h ALA 91 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3h76 h ALA 91 CO 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.23 3h76 h LEU 93 N 0.40 0.14 0.00 0.00 6.46 -1.06 -3.24 115.31 118.02 3h76 h LEU 93 Ca 0.09 -0.47 -0.08 0.00 -0.12 0.00 0.00 57.88 57.31 3h76 h LEU 93 Cb 0.22 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 3h76 h LEU 93 CO 0.00 0.58 -0.67 0.16 -0.62 0.00 0.00 178.44 177.90 3h76 h ILE 94 N -0.29 0.47 -0.79 4.05 3.07 -1.09 -3.38 117.51 119.55 3h76 h ILE 94 Ca 0.01 -1.73 0.07 0.00 1.55 0.00 0.00 64.86 64.76 3h76 h ILE 94 Cb 0.54 2.11 -0.10 0.00 -0.27 0.00 0.00 36.82 39.10 3h76 h ILE 94 CO 0.01 0.27 -0.47 -0.61 -1.05 0.00 0.00 178.15 176.30 3h76 h GLN 95 N 0.00 -0.00 -0.47 0.16 4.15 -0.94 -0.40 115.11 117.60 3h76 h GLN 95 Ca -0.04 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 3h76 h GLN 95 Cb 1.29 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.96 3h76 h GLN 95 CO 0.04 -0.00 0.02 -1.00 -1.93 0.00 0.00 178.83 175.95 3h76 h PRO 96 N -0.00 0.76 -0.03 -2.39 0.13 -1.74 -2.38 132.00 126.36 3h76 h PRO 96 Ca 0.13 -0.19 0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3h76 h PRO 96 Cb 0.33 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 3h76 h PRO 96 CO -0.75 0.76 0.03 -0.07 -0.23 0.00 0.00 178.00 177.75 3h76 h LEU 97 N 0.72 0.00 -0.16 1.56 3.38 -1.40 -1.97 115.31 117.44 3h76 h LEU 97 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3h76 h LEU 97 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3h76 h LEU 97 CO 0.02 0.00 -0.57 0.18 0.09 0.00 0.00 178.44 178.16 3h76 n LEU 98 N -3.90 0.82 -0.06 1.67 4.77 -0.29 -4.97 117.00 115.04 3h76 n LEU 98 Ca -0.02 -0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 55.73 3h76 n LEU 98 Cb 0.12 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3h76 n LEU 98 CO 0.28 0.18 -0.01 0.61 -1.33 0.00 0.00 177.39 177.13 3h76 n GLY 99 N 1.46 0.43 3.74 -0.72 0.00 -0.74 -4.78 105.19 104.59 3h76 n GLY 99 Ca 0.07 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 3h76 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h76 s LEU 100 N -0.19 2.43 1.14 0.99 1.43 -1.17 -4.28 118.68 119.04 3h76 s LEU 100 Ca 0.00 1.50 -0.19 0.00 -1.03 0.00 0.00 54.13 54.41 3h76 s LEU 100 Cb 0.00 -3.99 0.27 0.00 0.03 0.00 0.00 46.19 42.50 3h76 s LEU 100 CO 0.00 -2.43 1.22 -0.13 0.23 0.00 0.00 176.35 175.25 3h76 s ARG 101 N -4.97 -0.76 -1.40 1.70 0.52 -1.26 -4.87 118.95 107.92 3h76 s ARG 101 Ca 0.63 -0.36 -0.08 0.00 -0.52 0.00 0.00 55.73 55.40 3h76 s ARG 101 Cb -0.17 -1.68 0.08 0.00 0.52 0.00 0.00 34.95 33.70 3h76 s ARG 101 CO 0.56 -3.35 2.39 0.72 0.02 0.00 0.00 175.30 175.64 3h76 n HIS 102 N -4.44 2.71 -2.52 -0.53 8.25 -1.26 -4.90 115.22 112.53 3h76 n HIS 102 Ca 0.16 -2.89 -0.27 0.00 -0.26 0.00 0.00 57.72 54.46 3h76 n HIS 102 Cb 0.60 -2.08 0.02 0.00 1.12 0.00 0.00 29.99 29.64 3h76 n HIS 102 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3h76 s ILE 103 N 0.34 4.24 0.07 1.59 -4.36 -1.26 -5.05 121.20 116.77 3h76 s ILE 103 Ca 0.54 0.08 -0.32 0.00 -0.26 0.00 0.00 60.65 60.69 3h76 s ILE 103 Cb 0.16 -3.64 -0.11 0.00 1.25 0.00 0.00 42.46 40.12 3h76 s ILE 103 CO -0.06 -0.64 1.85 -0.81 0.24 0.00 0.00 174.94 175.52 3h76 n PRO 104 N -2.42 2.63 -4.39 0.37 -0.04 -1.26 -4.95 135.00 124.95 3h76 n PRO 104 Ca 0.03 0.96 -0.22 0.00 -0.04 0.00 0.00 63.50 64.23 3h76 n PRO 104 Cb 0.56 -2.85 -0.16 0.00 -0.04 0.00 0.00 33.50 31.01 3h76 n PRO 104 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3h76 s VAL 105 N 3.22 0.84 -0.01 0.52 -7.23 -1.26 -2.36 120.40 114.12 3h76 s VAL 105 Ca 0.85 -0.31 -0.06 0.00 -1.81 0.00 0.00 61.98 60.65 3h76 s VAL 105 Cb -0.53 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 35.62 3h76 s VAL 105 CO 0.41 0.29 0.13 -1.48 -0.31 0.00 0.00 175.10 174.14 3h76 s LEU 106 N 0.72 1.57 0.47 1.32 2.34 -0.82 -4.63 118.68 119.65 3h76 s LEU 106 Ca -0.12 -0.11 -0.19 0.00 0.06 0.00 0.00 54.13 53.76 3h76 s LEU 106 Cb -0.15 0.60 -0.10 0.00 -0.56 0.00 0.00 46.19 45.99 3h76 s LEU 106 CO 0.02 -0.29 0.97 -1.81 -1.06 0.00 0.00 176.35 174.18 3h76 s ASP 107 N -1.06 6.74 0.31 1.48 1.11 -1.26 -2.34 116.67 121.65 3h76 s ASP 107 Ca -0.12 1.68 0.09 0.00 0.18 0.00 0.00 52.55 54.39 3h76 s ASP 107 Cb -0.06 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.34 3h76 s ASP 107 CO 0.01 -0.50 -0.11 0.27 1.18 0.00 0.00 175.17 176.02 3h76 s ILE 108 N -2.31 2.16 -0.25 0.77 -4.36 -0.39 -4.86 121.20 111.96 3h76 s ILE 108 Ca 0.62 -2.23 -0.03 0.00 -0.26 0.00 0.00 60.65 58.74 3h76 s ILE 108 Cb -0.10 -2.52 0.08 0.00 1.25 0.00 0.00 42.46 41.17 3h76 s ILE 108 CO 0.20 -0.28 0.09 -0.13 0.24 0.00 0.00 174.94 175.07 3h76 s ARG 109 N -3.61 0.41 -0.03 0.37 1.81 -1.26 -4.10 118.95 112.54 3h76 s ARG 109 Ca 0.31 -0.56 0.05 0.00 -1.72 0.00 0.00 55.73 53.81 3h76 s ARG 109 Cb 0.01 -1.72 0.08 0.00 -0.45 0.00 0.00 34.95 32.87 3h76 s ARG 109 CO 0.15 -0.86 0.97 0.00 -0.68 0.00 0.00 175.30 174.88 3h76 n ALA 110 N 5.11 1.93 -0.92 2.13 0.00 -1.26 -5.09 120.51 122.40 3h76 n ALA 110 Ca -0.06 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.03 3h76 n ALA 110 Cb 0.44 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3h76 n ALA 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h76 n GLN 111 N -0.41 0.00 0.00 0.00 3.00 -1.26 -2.05 117.38 116.66 3h76 n GLN 111 Ca 0.04 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.12 3h76 n GLN 111 Cb 0.63 0.00 0.52 0.00 0.00 0.00 0.00 30.24 31.38 3h76 n GLN 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h76 n SER 113 N -1.03 2.36 -0.17 0.00 7.64 -0.87 -4.49 113.62 117.05 3h76 n SER 113 Ca 0.13 -2.21 0.28 0.00 1.01 0.00 0.00 58.87 58.08 3h76 n SER 113 Cb 0.07 -0.41 0.72 0.00 -1.01 0.00 0.00 64.21 63.59 3h76 n SER 113 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3h76 h GLY 114 N 4.94 0.00 1.08 0.23 0.00 -1.22 -2.41 103.07 105.69 3h76 h GLY 114 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 3h76 h GLY 114 CO 0.11 0.00 -1.54 -2.00 0.00 0.00 0.00 176.54 173.11 3h76 h LEU 115 N 0.00 0.74 0.09 3.11 7.12 -1.84 -0.74 115.31 123.79 3h76 h LEU 115 Ca 0.42 -0.93 -0.28 0.00 0.13 0.00 0.00 57.88 57.22 3h76 h LEU 115 Cb 1.72 -0.24 0.03 0.00 -0.53 0.00 0.00 40.66 41.63 3h76 h LEU 115 CO -0.00 1.72 -1.16 -0.07 -0.13 0.00 0.00 178.44 178.80 3h76 h LEU 116 N 0.09 0.87 -0.85 2.25 3.38 -1.80 -0.05 115.31 119.20 3h76 h LEU 116 Ca -0.28 -0.81 0.04 0.00 0.09 0.00 0.00 57.88 56.92 3h76 h LEU 116 Cb 2.11 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 42.53 3h76 h LEU 116 CO 0.23 1.58 0.54 1.88 0.09 0.00 0.00 178.44 182.75 3h76 h TYR 117 N 0.27 1.00 -0.16 1.13 -1.99 -1.56 0.20 116.97 115.86 3h76 h TYR 117 Ca -0.17 0.03 -0.20 0.00 2.00 0.00 0.00 58.73 60.38 3h76 h TYR 117 Cb 1.83 -0.33 0.00 0.00 2.00 0.00 0.00 36.73 40.24 3h76 h TYR 117 CO 0.12 0.56 -0.72 0.78 -0.00 0.00 0.00 178.16 178.90 3h76 h GLY 118 N 1.03 0.76 1.06 3.88 0.00 -1.05 -2.43 103.07 106.32 3h76 h GLY 118 Ca 0.35 -1.03 -0.11 0.00 0.00 0.00 0.00 47.33 46.54 3h76 h GLY 118 CO -0.13 0.92 -0.12 -2.00 0.00 0.00 0.00 176.54 175.20 3h76 h LEU 119 N 0.48 0.96 -0.78 3.11 5.85 -0.92 -0.25 115.31 123.77 3h76 h LEU 119 Ca -0.03 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3h76 h LEU 119 Cb 1.32 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 3h76 h LEU 119 CO 0.14 1.10 0.51 -0.61 -0.34 0.00 0.00 178.44 179.24 3h76 h GLN 120 N 0.80 1.00 -0.51 1.25 5.75 -0.61 0.12 115.11 122.91 3h76 h GLN 120 Ca 0.12 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 3h76 h GLN 120 Cb 0.68 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 3h76 h GLN 120 CO 0.05 0.66 0.12 0.52 -2.65 0.00 0.00 178.83 177.53 3h76 h MET 121 N 1.03 0.82 0.36 1.69 2.86 -1.25 -1.10 114.93 119.33 3h76 h MET 121 Ca 0.30 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3h76 h MET 121 Cb -0.08 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.48 3h76 h MET 121 CO -0.08 0.79 -0.17 0.00 1.06 0.00 0.00 176.91 178.51 3h76 h ALA 122 N 1.00 -0.48 -0.44 6.32 0.00 -0.65 -2.27 119.26 122.72 3h76 h ALA 122 Ca 0.16 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3h76 h ALA 122 Cb 0.34 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 3h76 h ALA 122 CO 0.00 -0.74 -0.18 -0.09 0.00 0.00 0.00 179.25 178.24 3h76 h ARG 123 N -0.54 -0.09 -0.31 0.00 2.43 -0.73 0.18 114.38 115.33 3h76 h ARG 123 Ca -0.05 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3h76 h ARG 123 Cb 0.41 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.90 3h76 h ARG 123 CO 0.08 -0.06 -0.18 0.78 -1.51 0.00 0.00 179.97 179.08 3h76 h GLY 124 N -0.09 0.02 0.95 2.80 0.00 -1.15 -1.07 103.07 104.53 3h76 h GLY 124 Ca 0.21 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 3h76 h GLY 124 CO -0.51 -0.18 0.17 1.46 0.00 0.00 0.00 176.54 177.48 3h76 h GLN 125 N -0.15 0.59 0.12 4.80 1.08 -0.76 -1.65 115.11 119.14 3h76 h GLN 125 Ca 0.16 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 3h76 h GLN 125 Cb 0.39 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3h76 h GLN 125 CO -0.40 0.55 -0.06 0.82 -0.95 0.00 0.00 178.83 178.80 3h76 h ILE 126 N 0.50 1.03 0.00 2.54 2.04 -0.90 -0.73 117.51 122.00 3h76 h ILE 126 Ca 0.13 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.41 3h76 h ILE 126 Cb 0.18 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3h76 h ILE 126 CO -0.01 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.46 3h76 n LEU 127 N -5.03 0.47 -0.50 1.44 4.77 -0.42 -1.60 117.00 116.13 3h76 n LEU 127 Ca -0.09 0.65 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 3h76 n LEU 127 Cb 0.19 -0.63 0.16 0.00 -2.33 0.00 0.00 43.42 40.81 3h76 n LEU 127 CO 0.33 -0.63 0.50 0.00 -1.33 0.00 0.00 177.39 176.26 3h76 n ALA 128 N -1.71 3.18 -1.34 -1.18 0.00 -0.62 -4.96 120.51 113.87 3h76 n ALA 128 Ca 0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 53.44 52.87 3h76 n ALA 128 Cb 0.14 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 3h76 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h76 n GLY 129 N 1.37 0.42 0.00 0.00 0.00 -0.63 -4.95 105.19 101.41 3h76 n GLY 129 Ca 0.12 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 45.24 3h76 n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h76 n LEU 130 N -0.14 0.44 -3.76 0.99 4.77 -0.30 -4.95 117.00 114.04 3h76 n LEU 130 Ca -0.01 -0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 3h76 n LEU 130 Cb 0.19 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 3h76 n LEU 130 CO 0.02 0.11 0.01 0.00 -1.33 0.00 0.00 177.39 176.20 3h76 s ALA 131 N -2.84 -0.77 -0.26 -1.18 0.00 -1.13 -4.96 121.76 110.62 3h76 s ALA 131 Ca 0.01 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 3h76 s ALA 131 Cb 0.12 0.05 -0.16 0.00 0.00 0.00 0.00 23.12 23.13 3h76 s ALA 131 CO 0.70 -0.25 -0.23 -2.13 0.00 0.00 0.00 175.76 173.84 3h76 n ARG 132 N 1.35 0.64 -4.95 0.00 0.63 -1.26 -4.00 116.66 109.07 3h76 n ARG 132 Ca -0.21 0.19 -0.31 0.00 -0.92 0.00 0.00 57.85 56.60 3h76 n ARG 132 Cb 0.56 -1.52 -0.17 0.00 0.45 0.00 0.00 32.46 31.78 3h76 n ARG 132 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3h76 s HIS 133 N -2.52 2.35 -0.07 -0.14 3.76 -1.26 -1.78 115.29 115.63 3h76 s HIS 133 Ca -0.35 -1.01 0.03 0.00 -0.15 0.00 0.00 55.06 53.58 3h76 s HIS 133 Cb 0.10 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 32.20 3h76 s HIS 133 CO 0.58 -0.44 -0.18 0.08 -0.85 0.00 0.00 174.74 173.93 3h76 s VAL 134 N 0.54 1.56 -0.27 -0.90 1.01 0.82 -0.46 120.40 122.70 3h76 s VAL 134 Ca -0.15 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 3h76 s VAL 134 Cb -0.17 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3h76 s VAL 134 CO 0.05 0.45 0.18 -0.22 0.00 0.00 0.00 175.10 175.56 3h76 s LEU 135 N 0.41 4.01 -0.23 3.92 2.96 0.16 -0.40 118.68 129.52 3h76 s LEU 135 Ca -0.14 -0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3h76 s LEU 135 Cb -0.16 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.42 3h76 s LEU 135 CO 0.05 -0.04 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.32 3h76 s VAL 136 N 1.67 3.25 -0.15 1.68 1.01 -0.30 -1.08 120.40 126.47 3h76 s VAL 136 Ca 0.07 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3h76 s VAL 136 Cb -0.16 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3h76 s VAL 136 CO 0.10 0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 174.72 3h76 s VAL 137 N 1.44 2.84 -0.33 2.92 1.01 -0.27 -1.59 120.40 126.43 3h76 s VAL 137 Ca 0.04 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 3h76 s VAL 137 Cb -0.15 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3h76 s VAL 137 CO -0.04 0.51 0.13 0.00 0.00 0.00 0.00 175.10 175.71 3h76 s GLY 139 N 1.52 0.61 -0.01 0.00 0.00 -1.03 -1.75 107.32 106.65 3h76 s GLY 139 Ca 0.02 -0.74 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 3h76 s GLY 139 CO 0.04 -0.75 0.08 -0.54 0.00 0.00 0.00 173.10 171.94 3h76 s GLU 140 N -1.25 0.25 -0.57 2.90 0.41 0.19 -4.53 118.70 116.10 3h76 s GLU 140 Ca -0.03 -0.15 0.02 0.00 -0.41 0.00 0.00 54.97 54.40 3h76 s GLU 140 Cb -0.08 0.10 0.14 0.00 -1.78 0.00 0.00 34.13 32.51 3h76 s GLU 140 CO 0.01 -0.05 0.34 0.08 -0.49 0.00 0.00 175.26 175.15 3h76 s VAL 141 N -0.62 2.91 -1.71 2.63 1.01 -1.26 -1.64 120.40 121.72 3h76 s VAL 141 Ca -0.07 -3.36 0.25 0.00 0.00 0.00 0.00 61.98 58.80 3h76 s VAL 141 Cb -0.04 -2.97 0.11 0.00 0.00 0.00 0.00 36.38 33.48 3h76 s VAL 141 CO 0.00 -0.84 1.34 0.18 0.00 0.00 0.00 175.10 175.78 3h76 n LEU 142 N 3.05 1.29 0.20 3.92 4.77 -1.24 -3.84 117.00 125.15 3h76 n LEU 142 Ca 0.07 -0.41 0.07 0.00 -0.03 0.00 0.00 56.01 55.71 3h76 n LEU 142 Cb 0.34 -0.09 0.37 0.00 -2.33 0.00 0.00 43.42 41.71 3h76 n LEU 142 CO 0.33 0.25 0.71 0.77 -1.33 0.00 0.00 177.39 178.13 3h76 h SER 143 N 1.38 0.00 0.00 -1.43 4.64 -1.84 -2.16 113.55 114.15 3h76 h SER 143 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h76 h SER 143 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3h76 h SER 143 CO 0.00 0.33 -0.00 0.29 -0.87 0.00 0.00 176.83 176.58 3h76 n LYS 144 N -3.51 1.33 -0.98 4.77 5.02 -1.25 -3.72 118.16 119.82 3h76 n LYS 144 Ca -0.00 -0.50 -0.03 0.00 -2.02 0.00 0.00 58.31 55.76 3h76 n LYS 144 Cb 0.49 -1.49 0.16 0.00 -0.02 0.00 0.00 35.03 34.17 3h76 n LYS 144 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h76 n ARG 145 N -0.40 2.13 -3.14 1.97 1.74 -0.81 -5.03 116.66 113.12 3h76 n ARG 145 Ca 0.21 -3.52 -0.40 0.00 -0.77 0.00 0.00 57.85 53.36 3h76 n ARG 145 Cb 0.24 -1.80 -0.07 0.00 -1.02 0.00 0.00 32.46 29.81 3h76 n ARG 145 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h76 s MET 146 N -3.34 4.09 -0.55 5.56 -1.94 -1.22 -4.74 119.30 117.16 3h76 s MET 146 Ca 0.42 0.48 -0.20 0.00 -1.71 0.00 0.00 55.69 54.68 3h76 s MET 146 Cb 0.38 -3.66 0.07 0.00 2.01 0.00 0.00 34.83 33.63 3h76 s MET 146 CO -0.04 -0.41 0.74 0.34 -0.01 0.00 0.00 175.02 175.64 3h76 s ASP 147 N 1.50 6.23 0.00 3.03 -1.08 -1.26 -4.92 116.67 120.17 3h76 s ASP 147 Ca 0.25 -0.94 0.28 0.00 -0.52 0.00 0.00 52.55 51.61 3h76 s ASP 147 Cb -0.15 -2.33 1.00 0.00 -1.46 0.00 0.00 42.92 39.97 3h76 s ASP 147 CO 0.09 -1.06 1.73 0.00 0.52 0.00 0.00 175.17 176.44 3h76 s SER 149 N -2.64 1.87 0.46 0.00 1.04 -1.26 -4.42 113.70 108.75 3h76 s SER 149 Ca 0.23 1.51 0.22 0.00 0.48 0.00 0.00 55.95 58.39 3h76 s SER 149 Cb 0.19 -2.21 1.12 0.00 0.10 0.00 0.00 66.02 65.22 3h76 s SER 149 CO 0.53 -3.65 1.95 0.44 0.98 0.00 0.00 173.24 173.49 3h76 h ASP 150 N -2.24 0.00 0.56 7.02 5.19 -1.96 -1.54 116.42 123.45 3h76 h ASP 150 Ca -0.56 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.80 3h76 h ASP 150 Cb 1.32 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 3h76 h ASP 150 CO 0.52 0.22 -0.23 -0.09 -3.12 0.00 0.00 179.24 176.53 3h76 h ARG 151 N 0.00 0.00 0.00 3.56 2.43 -1.92 -3.24 114.38 115.21 3h76 h ARG 151 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h76 h ARG 151 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3h76 h ARG 151 CO 0.03 0.23 -0.76 0.41 -1.51 0.00 0.00 179.97 178.37 3h76 n GLY 152 N -0.32 -0.42 0.30 2.80 0.00 -0.77 -4.67 105.19 102.11 3h76 n GLY 152 Ca -0.01 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.60 3h76 n GLY 152 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h76 h ARG 153 N 0.00 0.82 -1.03 1.61 3.08 -1.33 -2.23 114.38 115.29 3h76 h ARG 153 Ca 0.00 -0.05 0.29 0.00 0.07 0.00 0.00 59.98 60.29 3h76 h ARG 153 Cb 0.37 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 3h76 h ARG 153 CO 0.00 0.54 0.72 -2.95 -1.07 0.00 0.00 179.97 177.21 3h76 h ASN 154 N 0.84 0.14 0.01 7.04 -1.07 -1.83 -2.96 115.58 117.75 3h76 h ASN 154 Ca 0.37 0.02 -0.41 0.00 0.07 0.00 0.00 56.30 56.35 3h76 h ASN 154 Cb 0.25 -0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.43 3h76 h ASN 154 CO -0.20 0.03 -2.40 -0.11 0.07 0.00 0.00 177.43 174.82 3h76 n LEU 155 N -4.34 2.51 0.21 6.14 7.94 -0.88 -4.59 117.00 123.99 3h76 n LEU 155 Ca 0.23 0.10 0.14 0.00 -1.11 0.00 0.00 56.01 55.37 3h76 n LEU 155 Cb 1.02 -0.90 0.51 0.00 0.53 0.00 0.00 43.42 44.58 3h76 n LEU 155 CO 0.36 0.76 0.91 0.77 -1.11 0.00 0.00 177.39 179.08 3h76 h SER 156 N -0.43 0.00 0.02 1.96 4.64 -1.29 -0.98 113.55 117.46 3h76 h SER 156 Ca -0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 3h76 h SER 156 Cb 1.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3h76 h SER 156 CO -0.21 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 175.91 3h76 h ILE 157 N 0.00 0.00 0.00 0.95 3.07 -1.78 -3.23 117.51 116.52 3h76 h ILE 157 Ca 0.00 -0.01 -0.22 0.00 1.55 0.00 0.00 64.86 66.18 3h76 h ILE 157 Cb 0.59 0.52 -0.04 0.00 -0.27 0.00 0.00 36.82 37.62 3h76 h ILE 157 CO 0.00 0.00 -1.99 0.18 -1.05 0.00 0.00 178.15 175.29 3h76 n LEU 158 N -2.31 0.00 -4.69 0.16 4.77 -0.37 -5.01 117.00 109.54 3h76 n LEU 158 Ca -0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 3h76 n LEU 158 Cb 0.04 0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3h76 n LEU 158 CO 0.10 0.30 1.08 -0.76 -1.33 0.00 0.00 177.39 176.78 3h76 s LEU 159 N -4.93 4.32 0.40 2.23 1.43 -1.22 -0.17 118.68 120.74 3h76 s LEU 159 Ca -0.07 2.09 0.04 0.00 -1.03 0.00 0.00 54.13 55.16 3h76 s LEU 159 Cb 0.06 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 3h76 s LEU 159 CO 0.64 -0.68 0.06 -0.83 0.23 0.00 0.00 176.35 175.77 3h76 s GLY 160 N 1.69 2.47 -0.01 -3.19 0.00 -0.35 -4.69 107.32 103.23 3h76 s GLY 160 Ca 0.63 -1.56 0.06 0.00 0.00 0.00 0.00 44.72 43.85 3h76 s GLY 160 CO 0.26 -1.93 -0.20 0.99 0.00 0.00 0.00 173.10 172.22 3h76 s ASP 161 N -3.63 3.55 -0.20 1.64 1.01 -0.67 -3.64 116.67 114.73 3h76 s ASP 161 Ca 0.27 -0.38 -0.36 0.00 0.71 0.00 0.00 52.55 52.79 3h76 s ASP 161 Cb 0.06 -0.56 0.15 0.00 1.01 0.00 0.00 42.92 43.58 3h76 s ASP 161 CO 0.13 0.31 1.34 -0.83 0.21 0.00 0.00 175.17 176.33 3h76 s GLY 162 N -0.90 -0.30 -0.01 0.21 0.00 -0.65 -4.44 107.32 101.22 3h76 s GLY 162 Ca 0.12 1.52 -0.01 0.00 0.00 0.00 0.00 44.72 46.35 3h76 s GLY 162 CO 0.01 0.47 0.03 0.00 0.00 0.00 0.00 173.10 173.61 3h76 s ALA 163 N -2.17 -0.07 -0.02 3.20 0.00 -0.59 -0.63 121.76 121.47 3h76 s ALA 163 Ca 0.12 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.21 3h76 s ALA 163 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3h76 s ALA 163 CO -0.04 -0.01 -0.18 0.20 0.00 0.00 0.00 175.76 175.73 3h76 s GLY 164 N 0.03 0.91 0.06 0.00 0.00 -0.72 -1.64 107.32 105.95 3h76 s GLY 164 Ca -0.00 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.03 3h76 s GLY 164 CO 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 173.10 172.34 3h76 s ALA 165 N -0.27 1.75 0.01 3.20 0.00 0.62 -1.89 121.76 125.18 3h76 s ALA 165 Ca 0.03 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.94 3h76 s ALA 165 Cb -0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3h76 s ALA 165 CO 0.00 0.38 -0.14 0.54 0.00 0.00 0.00 175.76 176.55 3h76 s VAL 166 N -0.89 1.09 -0.21 0.00 0.11 -0.62 -0.78 120.40 119.10 3h76 s VAL 166 Ca 0.07 -0.77 -0.09 0.00 -2.93 0.00 0.00 61.98 58.26 3h76 s VAL 166 Cb -0.09 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 3h76 s VAL 166 CO 0.02 0.17 0.11 -0.69 -3.33 0.00 0.00 175.10 171.38 3h76 s VAL 167 N -0.56 5.08 -0.18 2.04 1.01 0.66 -1.15 120.40 127.31 3h76 s VAL 167 Ca 0.04 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 3h76 s VAL 167 Cb -0.06 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3h76 s VAL 167 CO 0.00 0.41 0.03 -0.69 0.00 0.00 0.00 175.10 174.85 3h76 s VAL 168 N 0.68 4.45 0.21 2.92 1.01 0.47 0.02 120.40 130.16 3h76 s VAL 168 Ca 0.06 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3h76 s VAL 168 Cb -0.13 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 3h76 s VAL 168 CO 0.01 0.47 -0.04 -0.44 0.00 0.00 0.00 175.10 175.10 3h76 s SER 169 N 0.42 1.93 0.40 3.32 0.01 -0.67 -0.13 113.70 118.99 3h76 s SER 169 Ca 0.01 -1.15 -0.26 0.00 1.31 0.00 0.00 55.95 55.85 3h76 s SER 169 Cb -0.13 -0.02 -0.09 0.00 0.21 0.00 0.00 66.02 65.99 3h76 s SER 169 CO 0.01 -0.44 1.33 0.00 0.41 0.00 0.00 173.24 174.55 3h76 s ALA 170 N -3.34 3.30 0.44 1.44 0.00 -0.73 -1.49 121.76 121.37 3h76 s ALA 170 Ca 0.25 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.53 3h76 s ALA 170 Cb 0.04 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 3h76 s ALA 170 CO 0.07 -0.86 0.03 0.20 0.00 0.00 0.00 175.76 175.20 3h76 s GLY 171 N -0.66 2.67 0.00 0.00 0.00 -1.21 -4.67 107.32 103.45 3h76 s GLY 171 Ca 0.56 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.95 3h76 s GLY 171 CO 0.51 -2.06 0.21 1.18 0.00 0.00 0.00 173.10 172.95 3h76 n GLU 172 N -1.04 2.49 -4.12 2.90 1.02 -1.26 -4.06 120.64 116.58 3h76 n GLU 172 Ca -0.10 -0.21 -0.36 0.00 -0.02 0.00 0.00 57.16 56.47 3h76 n GLU 172 Cb 0.67 -0.67 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 3h76 n GLU 172 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3h76 s SER 173 N -0.42 5.80 0.01 1.62 0.15 -1.26 -4.50 113.70 115.11 3h76 s SER 173 Ca 0.00 0.30 0.22 0.00 0.70 0.00 0.00 55.95 57.17 3h76 s SER 173 Cb 0.00 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 62.51 3h76 s SER 173 CO 0.00 0.39 1.00 0.18 1.20 0.00 0.00 173.24 176.00 3h76 n LEU 174 N 2.12 0.71 0.06 3.45 4.77 -1.26 -1.51 117.00 125.34 3h76 n LEU 174 Ca -0.19 -0.22 -0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3h76 n LEU 174 Cb 0.54 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3h76 n LEU 174 CO 0.30 0.15 -0.07 -0.33 -1.33 0.00 0.00 177.39 176.10 3h76 h GLU 175 N 0.00 0.00 0.00 3.23 5.08 -2.00 -3.47 114.58 117.43 3h76 h GLU 175 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3h76 h GLU 175 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3h76 h GLU 175 CO 0.00 0.41 -0.03 -0.40 -1.00 0.00 0.00 179.01 177.99 3h76 n ASP 176 N -3.02 -0.05 0.00 1.42 5.68 -1.26 -4.88 116.55 114.45 3h76 n ASP 176 Ca -0.06 -1.14 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 3h76 n ASP 176 Cb 0.83 0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.92 3h76 n ASP 176 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h76 n GLY 177 N -0.04 -0.11 3.56 6.12 0.00 -0.60 -4.50 105.19 109.63 3h76 n GLY 177 Ca 0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 3h76 n GLY 177 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h76 s LEU 178 N 0.00 3.57 0.07 0.99 2.96 -0.56 -1.91 118.68 123.81 3h76 s LEU 178 Ca 0.00 -0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 53.71 3h76 s LEU 178 Cb 0.00 -3.03 -0.22 0.00 0.50 0.00 0.00 46.19 43.44 3h76 s LEU 178 CO 0.00 -1.46 1.20 -0.07 -1.32 0.00 0.00 176.35 174.70 3h76 h LEU 179 N 11.83 0.90 -7.34 -0.68 4.07 -1.14 -3.43 115.31 119.53 3h76 h LEU 179 Ca -0.26 -0.72 0.01 0.00 0.08 0.00 0.00 57.88 56.99 3h76 h LEU 179 Cb 1.06 -0.28 -0.10 0.00 1.08 0.00 0.00 40.66 42.43 3h76 h LEU 179 CO 1.18 1.50 0.22 -0.62 -1.08 0.00 0.00 178.44 179.64 3h76 s ASP 180 N -7.24 -0.46 -0.28 -0.43 -1.08 -1.19 -4.99 116.67 101.00 3h76 s ASP 180 Ca -0.10 -0.21 -0.08 0.00 -0.52 0.00 0.00 52.55 51.64 3h76 s ASP 180 Cb 0.07 0.64 0.13 0.00 -1.46 0.00 0.00 42.92 42.30 3h76 s ASP 180 CO 0.91 -1.10 0.60 -0.22 0.52 0.00 0.00 175.17 175.89 3h76 s LEU 181 N -2.81 -1.09 -0.10 -1.34 2.96 -1.26 -2.04 118.68 113.01 3h76 s LEU 181 Ca 0.04 1.36 0.03 0.00 -0.22 0.00 0.00 54.13 55.35 3h76 s LEU 181 Cb -0.03 2.11 0.00 0.00 0.50 0.00 0.00 46.19 48.77 3h76 s LEU 181 CO -0.06 -0.23 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.39 3h76 s ARG 182 N 2.84 2.81 0.28 1.98 0.52 -0.65 -5.00 118.95 121.73 3h76 s ARG 182 Ca -0.01 -0.79 0.11 0.00 -0.52 0.00 0.00 55.73 54.51 3h76 s ARG 182 Cb -0.12 -2.17 -0.05 0.00 0.52 0.00 0.00 34.95 33.12 3h76 s ARG 182 CO -0.18 0.11 -0.09 -0.51 0.02 0.00 0.00 175.30 174.65 3h76 s LEU 183 N 0.51 2.90 0.27 2.53 1.43 -1.26 -1.51 118.68 123.55 3h76 s LEU 183 Ca -0.16 -0.86 -0.21 0.00 -1.03 0.00 0.00 54.13 51.87 3h76 s LEU 183 Cb -0.17 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 44.69 3h76 s LEU 183 CO 0.06 -0.01 0.77 -0.83 0.23 0.00 0.00 176.35 176.57 3h76 s GLY 184 N -3.61 -0.06 0.10 -3.19 0.00 0.03 -4.94 107.32 95.65 3h76 s GLY 184 Ca 0.31 -0.28 -0.18 0.00 0.00 0.00 0.00 44.72 44.56 3h76 s GLY 184 CO 0.18 -0.05 0.45 0.00 0.00 0.00 0.00 173.10 173.67 3h76 s ALA 185 N -3.63 -1.09 -0.31 3.20 0.00 -1.26 -1.07 121.76 117.60 3h76 s ALA 185 Ca 0.12 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.28 3h76 s ALA 185 Cb -0.05 0.61 0.15 0.00 0.00 0.00 0.00 23.12 23.83 3h76 s ALA 185 CO 0.07 -0.60 0.36 0.34 0.00 0.00 0.00 175.76 175.92 3h76 s ASP 186 N -2.52 1.01 0.00 0.00 -1.08 0.61 -4.96 116.67 109.72 3h76 s ASP 186 Ca -0.00 -0.76 0.17 0.00 -0.52 0.00 0.00 52.55 51.43 3h76 s ASP 186 Cb 0.01 0.78 0.82 0.00 -1.46 0.00 0.00 42.92 43.07 3h76 s ASP 186 CO -0.09 -0.35 1.50 0.61 0.52 0.00 0.00 175.17 177.36 3h76 n GLY 187 N 5.11 -0.88 0.32 2.66 0.00 -1.19 -2.38 105.19 108.83 3h76 n GLY 187 Ca 0.02 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3h76 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h76 h ASN 188 N 0.00 0.00 -0.37 1.61 2.35 -1.95 -2.09 115.58 115.13 3h76 h ASN 188 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h76 h ASN 188 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3h76 h ASN 188 CO 0.00 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.56 3h76 n TYR 189 N -4.26 0.77 -0.32 1.19 4.01 -1.00 -4.64 117.16 112.91 3h76 n TYR 189 Ca 0.02 -0.32 0.21 0.00 -0.16 0.00 0.00 57.90 57.65 3h76 n TYR 189 Cb 0.30 -0.13 0.41 0.00 -0.31 0.00 0.00 39.34 39.62 3h76 n TYR 189 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3h76 h PHE 190 N 2.27 0.57 -0.43 -0.72 3.57 -1.47 -2.65 116.94 118.08 3h76 h PHE 190 Ca 0.00 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3h76 h PHE 190 Cb 0.84 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 3h76 h PHE 190 CO 0.40 -0.30 0.03 -0.40 -2.23 0.00 0.00 178.31 175.81 3h76 n ASP 191 N -5.22 4.33 0.03 0.41 5.68 -1.26 -4.05 116.55 116.46 3h76 n ASP 191 Ca 0.29 -2.70 -0.03 0.00 -0.50 0.00 0.00 54.79 51.84 3h76 n ASP 191 Cb 0.92 -0.64 0.20 0.00 -1.14 0.00 0.00 41.12 40.46 3h76 n ASP 191 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3h76 h LEU 192 N 2.72 0.44 -6.42 -2.12 3.38 -1.79 -3.40 115.31 108.12 3h76 h LEU 192 Ca 0.03 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 3h76 h LEU 192 Cb 1.61 -0.12 -0.29 0.00 0.09 0.00 0.00 40.66 41.95 3h76 h LEU 192 CO 0.38 0.72 -0.47 -0.22 0.09 0.00 0.00 178.44 178.95 3h76 s LEU 193 N -8.58 -0.69 0.02 1.67 2.96 -1.26 0.21 118.68 113.02 3h76 s LEU 193 Ca -0.06 0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.03 3h76 s LEU 193 Cb 0.14 1.18 -0.00 0.00 0.50 0.00 0.00 46.19 48.00 3h76 s LEU 193 CO 0.79 -0.30 0.11 0.00 -1.32 0.00 0.00 176.35 175.63 3h76 s MET 194 N 2.57 0.52 -0.23 1.98 0.23 -0.64 -4.65 119.30 119.08 3h76 s MET 194 Ca 0.13 -0.56 -0.01 0.00 -1.03 0.00 0.00 55.69 54.22 3h76 s MET 194 Cb -0.15 0.21 0.02 0.00 -1.53 0.00 0.00 34.83 33.38 3h76 s MET 194 CO -0.17 -0.13 -0.10 0.99 -2.03 0.00 0.00 175.02 173.59 3h76 s THR 195 N -1.90 2.68 0.11 3.16 2.01 -1.26 -0.78 115.64 119.66 3h76 s THR 195 Ca -0.11 -0.96 0.19 0.00 0.31 0.00 0.00 61.69 61.12 3h76 s THR 195 Cb -0.05 -2.29 0.14 0.00 0.01 0.00 0.00 72.50 70.31 3h76 s THR 195 CO -0.01 0.31 1.70 0.00 -0.69 0.00 0.00 174.62 175.93 3h76 h ALA 196 N 7.99 0.94 -2.61 7.40 0.00 -1.60 -3.46 119.26 127.92 3h76 h ALA 196 Ca -0.37 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.08 3h76 h ALA 196 Cb 1.12 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.67 3h76 h ALA 196 CO 0.59 0.46 -0.50 0.00 0.00 0.00 0.00 179.25 179.80 3h76 s ALA 197 N -3.51 -0.14 0.64 0.00 0.00 -0.84 -4.33 121.76 113.58 3h76 s ALA 197 Ca 0.01 -0.47 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 3h76 s ALA 197 Cb 0.10 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 3h76 s ALA 197 CO 0.69 -0.31 1.18 -1.25 0.00 0.00 0.00 175.76 176.06 3h76 s PRO 198 N -2.48 2.76 -0.08 0.00 0.04 -1.26 -4.26 135.00 129.72 3h76 s PRO 198 Ca -0.06 1.70 -0.32 0.00 0.04 0.00 0.00 61.00 62.36 3h76 s PRO 198 Cb -0.02 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.74 3h76 s PRO 198 CO -0.04 -1.34 1.37 0.20 0.04 0.00 0.00 177.00 177.23 3h76 s GLY 199 N -1.92 -0.45 0.00 0.56 0.00 -0.92 -5.01 107.32 99.58 3h76 s GLY 199 Ca 0.74 0.92 0.30 0.00 0.00 0.00 0.00 44.72 46.68 3h76 s GLY 199 CO 0.37 0.19 1.99 -1.14 0.00 0.00 0.00 173.10 174.50 3h76 n SER 200 N -0.46 0.17 0.20 1.64 3.41 -1.26 -3.05 113.62 114.26 3h76 n SER 200 Ca -0.08 -0.33 0.04 0.00 -0.26 0.00 0.00 58.87 58.23 3h76 n SER 200 Cb 0.63 -0.19 0.40 0.00 -0.26 0.00 0.00 64.21 64.79 3h76 n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h76 h ALA 201 N 3.51 1.40 -2.34 7.33 0.00 -1.93 -3.46 119.26 123.77 3h76 h ALA 201 Ca 0.00 -0.30 -0.51 0.00 0.00 0.00 0.00 54.91 54.10 3h76 h ALA 201 Cb 0.30 -0.05 0.12 0.00 0.00 0.00 0.00 17.79 18.16 3h76 h ALA 201 CO 0.00 0.41 0.33 -1.12 0.00 0.00 0.00 179.25 178.87 3h76 s SER 202 N -6.86 4.68 0.25 0.00 0.01 -1.17 -4.95 113.70 105.65 3h76 s SER 202 Ca -0.03 1.85 -0.09 0.00 1.31 0.00 0.00 55.95 58.99 3h76 s SER 202 Cb 0.14 -2.53 0.41 0.00 0.21 0.00 0.00 66.02 64.26 3h76 s SER 202 CO 0.71 -1.92 1.60 -0.65 0.41 0.00 0.00 173.24 173.40 3h76 h PRO 203 N -0.86 0.03 -4.88 12.44 0.11 -1.89 -3.41 132.00 133.53 3h76 h PRO 203 Ca -0.44 -0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.34 3h76 h PRO 203 Cb 1.23 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 3h76 h PRO 203 CO 0.52 0.02 -0.65 0.95 -0.21 0.00 0.00 178.00 178.63 3h76 s THR 204 N -6.19 0.72 0.17 -1.15 -4.23 -1.26 -5.08 115.64 98.62 3h76 s THR 204 Ca -0.14 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.10 3h76 s THR 204 Cb 0.23 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.79 3h76 s THR 204 CO 0.76 -0.33 1.55 0.15 -0.54 0.00 0.00 174.62 176.22 3h76 h PHE 205 N 2.57 -1.50 -3.56 3.99 3.57 -1.81 -3.01 116.94 117.19 3h76 h PHE 205 Ca -0.37 0.10 -0.72 0.00 3.53 0.00 0.00 57.97 60.51 3h76 h PHE 205 Cb 1.22 0.76 -0.32 0.00 2.79 0.00 0.00 35.95 40.39 3h76 h PHE 205 CO 0.52 -0.42 -0.29 -0.51 -2.23 0.00 0.00 178.31 175.39 3h76 s LEU 206 N -10.58 5.62 -0.16 0.59 1.43 -1.26 -2.17 118.68 112.15 3h76 s LEU 206 Ca -0.14 -2.62 -0.20 0.00 -1.03 0.00 0.00 54.13 50.15 3h76 s LEU 206 Cb 0.13 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3h76 s LEU 206 CO 0.65 -0.47 0.57 -0.62 0.23 0.00 0.00 176.35 176.70 3h76 s ASP 207 N 1.38 6.70 0.32 2.29 -1.08 -1.14 -4.97 116.67 120.16 3h76 s ASP 207 Ca 0.15 0.84 0.01 0.00 -0.52 0.00 0.00 52.55 53.03 3h76 s ASP 207 Cb -0.19 -2.33 0.53 0.00 -1.46 0.00 0.00 42.92 39.47 3h76 s ASP 207 CO -0.04 -0.15 1.92 -0.33 0.52 0.00 0.00 175.17 177.09 3h76 h GLU 208 N 7.14 0.81 -0.21 4.34 5.08 -1.95 -0.60 114.58 129.19 3h76 h GLU 208 Ca -0.36 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 57.69 3h76 h GLU 208 Cb 1.16 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.27 3h76 h GLU 208 CO 0.76 0.64 -0.68 -0.91 -1.00 0.00 0.00 179.01 177.82 3h76 h ASN 209 N 0.81 0.93 -0.29 1.42 2.35 -1.93 -0.97 115.58 117.89 3h76 h ASN 209 Ca 0.20 -0.56 0.06 0.00 -0.55 0.00 0.00 56.30 55.45 3h76 h ASN 209 Cb 0.11 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.15 3h76 h ASN 209 CO -0.02 1.36 -0.12 0.58 -1.65 0.00 0.00 177.43 177.57 3h76 h VAL 210 N 0.58 0.61 0.28 2.81 2.07 -1.93 -3.34 116.25 117.33 3h76 h VAL 210 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3h76 h VAL 210 Cb 1.29 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3h76 h VAL 210 CO 0.14 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.53 3h76 h LEU 211 N -0.07 -0.32 -9.94 2.57 3.38 -1.06 -1.46 115.31 108.41 3h76 h LEU 211 Ca 0.15 -0.21 -0.54 0.00 0.09 0.00 0.00 57.88 57.37 3h76 h LEU 211 Cb 0.29 0.08 0.10 0.00 0.09 0.00 0.00 40.66 41.23 3h76 h LEU 211 CO -0.34 0.09 0.73 -0.60 0.09 0.00 0.00 178.44 178.41 3h76 s ARG 212 N -4.42 4.07 0.00 1.13 3.52 -0.37 -3.36 118.95 119.52 3h76 s ARG 212 Ca -0.14 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 57.92 3h76 s ARG 212 Cb 0.02 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.49 3h76 s ARG 212 CO 0.53 -0.52 0.00 -1.91 -0.81 0.00 0.00 175.30 172.59 3h76 n GLU 213 N 0.38 0.00 0.00 5.12 2.13 -1.26 -4.61 120.64 122.40 3h76 n GLU 213 Ca 0.02 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3h76 n GLU 213 Cb 0.40 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.60 3h76 n GLU 213 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h76 n GLY 214 N -2.46 2.93 0.33 8.31 0.00 -1.21 -4.96 105.19 108.12 3h76 n GLY 214 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.94 3h76 n GLY 214 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h76 h GLY 215 N 0.00 1.44 -0.77 -0.02 0.00 -1.41 -1.65 103.07 100.66 3h76 h GLY 215 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3h76 h GLY 215 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.24 3h76 n GLY 216 N -1.33 0.05 3.61 4.60 0.00 -1.26 -1.98 105.19 108.88 3h76 n GLY 216 Ca 0.16 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3h76 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h76 s GLU 217 N -1.72 2.23 0.31 1.61 0.41 -0.62 -4.90 118.70 116.01 3h76 s GLU 217 Ca 0.12 -1.02 -0.29 0.00 -0.41 0.00 0.00 54.97 53.37 3h76 s GLU 217 Cb 0.07 -2.35 -0.11 0.00 -1.78 0.00 0.00 34.13 29.96 3h76 s GLU 217 CO 0.08 0.50 1.54 -0.06 -0.49 0.00 0.00 175.26 176.84 3h76 s PHE 218 N -1.32 2.74 -0.16 1.61 0.08 -1.26 -4.37 117.98 115.29 3h76 s PHE 218 Ca 0.23 0.92 0.00 0.00 0.12 0.00 0.00 56.93 58.20 3h76 s PHE 218 Cb -0.11 -4.03 0.04 0.00 -0.57 0.00 0.00 43.02 38.35 3h76 s PHE 218 CO 0.15 -3.31 -0.08 -1.17 -0.10 0.00 0.00 175.22 170.71 3h76 s LEU 219 N -0.96 1.73 -0.08 -0.37 0.20 0.04 -4.83 118.68 114.42 3h76 s LEU 219 Ca 0.60 -0.64 0.03 0.00 0.69 0.00 0.00 54.13 54.81 3h76 s LEU 219 Cb -0.47 -1.03 -0.02 0.00 -0.43 0.00 0.00 46.19 44.25 3h76 s LEU 219 CO 0.52 -0.14 -0.18 -0.32 -0.29 0.00 0.00 176.35 175.93 3h76 s MET 220 N 1.56 2.81 -0.78 1.98 -2.45 -1.26 -1.62 119.30 119.54 3h76 s MET 220 Ca 0.02 -0.78 -0.19 0.00 -1.25 0.00 0.00 55.69 53.49 3h76 s MET 220 Cb -0.15 -2.37 0.12 0.00 1.25 0.00 0.00 34.83 33.68 3h76 s MET 220 CO -0.08 0.39 0.96 1.03 1.05 0.00 0.00 175.02 178.37 3h76 s ARG 221 N -0.15 3.36 0.10 4.11 0.52 0.13 -4.95 118.95 122.07 3h76 s ARG 221 Ca -0.02 -1.52 -0.29 0.00 -0.52 0.00 0.00 55.73 53.38 3h76 s ARG 221 Cb -0.14 -4.56 -0.11 0.00 0.52 0.00 0.00 34.95 30.66 3h76 s ARG 221 CO 0.04 -1.68 1.63 0.78 0.02 0.00 0.00 175.30 176.08 3h76 h GLY 222 N 10.27 -0.62 0.46 -3.53 0.00 -1.97 -2.64 103.07 105.05 3h76 h GLY 222 Ca -0.05 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 3h76 h GLY 222 CO 1.09 -0.25 -0.03 -0.09 0.00 0.00 0.00 176.54 177.26 3h76 h ARG 223 N -0.57 0.05 -0.95 4.80 9.65 -1.97 -1.98 114.38 123.41 3h76 h ARG 223 Ca 0.00 -0.03 0.27 0.00 -1.10 0.00 0.00 59.98 59.12 3h76 h ARG 223 Cb 0.55 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 28.99 3h76 h ARG 223 CO -0.09 0.61 0.44 -1.35 2.80 0.00 0.00 179.97 182.38 3h76 h PRO 224 N -0.51 0.32 -0.41 0.20 0.11 -1.98 -1.44 132.00 128.29 3h76 h PRO 224 Ca 0.00 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 3h76 h PRO 224 Cb 0.61 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3h76 h PRO 224 CO 0.01 0.21 0.07 1.98 -0.21 0.00 0.00 178.00 180.06 3h76 h MET 225 N 0.33 0.69 -0.42 1.05 4.05 -1.46 -1.04 114.93 118.13 3h76 h MET 225 Ca 0.64 -0.18 0.08 0.00 -0.28 0.00 0.00 59.70 59.96 3h76 h MET 225 Cb 1.35 -0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 32.00 3h76 h MET 225 CO -0.59 0.72 -0.04 0.35 0.23 0.00 0.00 176.91 177.58 3h76 h PHE 226 N 0.54 -0.11 0.05 1.39 3.57 -0.49 -1.17 116.94 120.72 3h76 h PHE 226 Ca 0.13 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.43 3h76 h PHE 226 Cb 0.37 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3h76 h PHE 226 CO 0.03 -0.13 -1.07 0.93 -2.23 0.00 0.00 178.31 175.84 3h76 h GLU 227 N 0.06 0.14 -0.36 1.11 5.08 -1.33 -1.96 114.58 117.32 3h76 h GLU 227 Ca 0.21 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3h76 h GLU 227 Cb 0.31 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3h76 h GLU 227 CO -0.38 1.07 -0.11 1.25 -1.00 0.00 0.00 179.01 179.84 3h76 h HIS 228 N 0.05 0.81 0.06 4.33 2.76 -1.10 -2.26 115.15 119.80 3h76 h HIS 228 Ca -0.06 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 57.92 3h76 h HIS 228 Cb 1.79 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.56 3h76 h HIS 228 CO 0.03 0.88 -0.03 0.00 -1.30 0.00 0.00 177.93 177.51 3h76 h ALA 229 N 0.81 -0.08 -0.58 5.26 0.00 -1.20 -1.16 119.26 122.31 3h76 h ALA 229 Ca 0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3h76 h ALA 229 Cb 0.63 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3h76 h ALA 229 CO 0.04 -0.43 0.09 0.66 0.00 0.00 0.00 179.25 179.60 3h76 h SER 230 N -0.30 0.90 0.01 0.00 4.64 -1.45 -0.45 113.55 116.89 3h76 h SER 230 Ca -0.01 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3h76 h SER 230 Cb 0.27 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3h76 h SER 230 CO 0.01 0.91 -0.01 -0.61 -0.87 0.00 0.00 176.83 176.26 3h76 h GLN 231 N 0.89 -0.02 -0.10 4.77 4.15 -1.36 -1.89 115.11 121.54 3h76 h GLN 231 Ca 0.18 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.46 3h76 h GLN 231 Cb 0.40 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.10 3h76 h GLN 231 CO 0.01 0.13 -0.49 0.00 -1.93 0.00 0.00 178.83 176.55 3h76 h THR 232 N -0.16 1.37 -0.82 2.39 1.03 -1.08 -1.72 112.91 113.92 3h76 h THR 232 Ca -0.00 -1.81 0.11 0.00 -0.01 0.00 0.00 66.41 64.69 3h76 h THR 232 Cb 0.15 2.19 -0.06 0.00 -1.07 0.00 0.00 68.15 69.37 3h76 h THR 232 CO 0.00 0.54 0.54 -0.07 -0.01 0.00 0.00 175.52 176.52 3h76 h LEU 233 N 0.11 0.66 -0.03 0.00 3.38 -1.15 -0.68 115.31 117.59 3h76 h LEU 233 Ca -0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3h76 h LEU 233 Cb 1.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3h76 h LEU 233 CO 0.10 0.38 -0.14 0.58 0.09 0.00 0.00 178.44 179.45 3h76 h VAL 234 N 0.72 1.48 0.59 1.22 2.07 -1.17 -2.88 116.25 118.29 3h76 h VAL 234 Ca 0.39 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 3h76 h VAL 234 Cb 0.52 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 3h76 h VAL 234 CO -0.16 0.44 -0.46 -0.09 0.02 0.00 0.00 177.57 177.33 3h76 h ARG 235 N -0.44 -0.98 -0.23 1.57 2.43 -1.03 -2.75 114.38 112.95 3h76 h ARG 235 Ca -0.01 0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3h76 h ARG 235 Cb 0.80 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3h76 h ARG 235 CO 0.03 -0.66 0.16 -0.84 -1.51 0.00 0.00 179.97 177.15 3h76 h ILE 236 N -1.02 0.99 0.23 1.20 3.07 -1.25 -0.90 117.51 119.82 3h76 h ILE 236 Ca -0.07 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.27 3h76 h ILE 236 Cb 0.86 0.78 -0.02 0.00 -0.27 0.00 0.00 36.82 38.17 3h76 h ILE 236 CO 0.01 0.04 -0.22 0.00 -1.05 0.00 0.00 178.15 176.93 3h76 h ALA 237 N 1.87 -0.45 -0.44 0.16 0.00 -1.36 -1.82 119.26 117.21 3h76 h ALA 237 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3h76 h ALA 237 Cb 0.15 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3h76 h ALA 237 CO -0.02 -0.78 0.06 0.78 0.00 0.00 0.00 179.25 179.29 3h76 h GLY 238 N -0.48 0.80 0.35 0.00 0.00 -1.10 -2.33 103.07 100.31 3h76 h GLY 238 Ca -0.00 -0.54 0.13 0.00 0.00 0.00 0.00 47.33 46.91 3h76 h GLY 238 CO -0.05 0.50 0.46 0.83 0.00 0.00 0.00 176.54 178.28 3h76 h GLU 239 N 0.60 0.68 -0.23 4.80 5.08 -1.18 0.18 114.58 124.51 3h76 h GLU 239 Ca 0.13 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 3h76 h GLU 239 Cb 0.39 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3h76 h GLU 239 CO 0.01 0.45 -0.53 1.98 -1.00 0.00 0.00 179.01 179.92 3h76 h MET 240 N 0.70 0.68 -0.16 2.33 4.05 -1.13 -1.44 114.93 119.96 3h76 h MET 240 Ca 0.44 -0.42 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 3h76 h MET 240 Cb 0.54 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.38 3h76 h MET 240 CO -0.31 1.04 -0.04 -0.07 0.23 0.00 0.00 176.91 177.75 3h76 h LEU 241 N 0.53 0.31 0.01 3.39 4.07 -1.18 -3.23 115.31 119.21 3h76 h LEU 241 Ca 0.01 -0.37 0.03 0.00 0.08 0.00 0.00 57.88 57.64 3h76 h LEU 241 Cb 1.10 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.70 3h76 h LEU 241 CO 0.11 0.61 -0.37 0.00 -1.08 0.00 0.00 178.44 177.71 3h76 h ALA 242 N 0.71 -0.57 0.00 1.53 0.00 -0.53 -0.92 119.26 119.48 3h76 h ALA 242 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h76 h ALA 242 Cb 0.47 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3h76 h ALA 242 CO 0.02 -0.89 0.33 0.00 0.00 0.00 0.00 179.25 178.70 3h76 h ALA 243 N 0.11 1.31 0.00 0.00 0.00 -1.35 -1.46 119.26 117.87 3h76 h ALA 243 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h76 h ALA 243 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3h76 h ALA 243 CO -0.29 -0.31 0.00 0.72 0.00 0.00 0.00 179.25 179.37 3h76 n HIS 244 N -2.75 0.00 -3.90 0.00 -0.00 -0.44 -5.00 115.22 103.13 3h76 n HIS 244 Ca -0.02 -0.40 -0.28 0.00 -0.00 0.00 0.00 57.72 57.02 3h76 n HIS 244 Cb 0.37 -0.04 0.02 0.00 -0.00 0.00 0.00 29.99 30.34 3h76 n HIS 244 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3h76 n GLU 245 N -0.40 -4.84 -4.50 -0.41 1.02 -0.55 -4.98 120.64 105.98 3h76 n GLU 245 Ca 0.00 0.55 -0.34 0.00 -0.02 0.00 0.00 57.16 57.36 3h76 n GLU 245 Cb 0.23 -5.25 -0.12 0.00 -0.02 0.00 0.00 31.44 26.28 3h76 n GLU 245 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h76 s LEU 246 N -7.09 3.19 0.49 -4.62 1.43 -0.70 -5.04 118.68 106.34 3h76 s LEU 246 Ca 0.43 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3h76 s LEU 246 Cb -0.22 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.27 3h76 s LEU 246 CO 0.84 0.24 0.72 0.42 0.23 0.00 0.00 176.35 178.80 3h76 s THR 247 N -0.05 3.50 0.57 5.49 -4.23 -1.26 -4.46 115.64 115.20 3h76 s THR 247 Ca 0.01 -0.53 0.31 0.00 -1.18 0.00 0.00 61.69 60.30 3h76 s THR 247 Cb -0.13 -3.31 0.45 0.00 1.34 0.00 0.00 72.50 70.85 3h76 s THR 247 CO 0.03 -0.22 1.82 -0.07 -0.54 0.00 0.00 174.62 175.64 3h76 h LEU 248 N 0.24 0.00 0.00 4.79 3.38 -1.96 -0.74 115.31 121.03 3h76 h LEU 248 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3h76 h LEU 248 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3h76 h LEU 248 CO 0.56 0.00 -0.42 0.44 0.09 0.00 0.00 178.44 179.10 3h76 h ASP 249 N 0.00 0.00 0.83 -0.43 3.32 -1.97 -3.05 116.42 115.11 3h76 h ASP 249 Ca 0.37 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3h76 h ASP 249 Cb 1.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.26 3h76 h ASP 249 CO -0.00 0.05 0.00 0.47 -1.72 0.00 0.00 179.24 178.04 3h76 n ASP 250 N -2.36 0.05 -4.62 6.45 8.00 -0.28 -4.69 116.55 119.10 3h76 n ASP 250 Ca 0.04 0.51 -0.37 0.00 0.71 0.00 0.00 54.79 55.67 3h76 n ASP 250 Cb 0.46 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.94 3h76 n ASP 250 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h76 s ILE 251 N -3.01 5.28 -0.17 0.53 -1.09 -1.16 -4.48 121.20 117.10 3h76 s ILE 251 Ca 0.11 0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.67 3h76 s ILE 251 Cb 0.15 -3.49 -0.23 0.00 -1.58 0.00 0.00 42.46 37.31 3h76 s ILE 251 CO 0.43 0.30 0.15 0.47 -1.23 0.00 0.00 174.94 175.06 3h76 n ASP 252 N 4.66 1.96 -4.08 3.58 8.00 0.07 -4.96 116.55 125.79 3h76 n ASP 252 Ca -0.15 0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.22 3h76 n ASP 252 Cb 0.52 -0.61 -0.15 0.00 -0.02 0.00 0.00 41.12 40.86 3h76 n ASP 252 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3h76 s HIS 253 N -2.54 1.16 -0.19 1.24 3.76 -1.10 -4.68 115.29 112.95 3h76 s HIS 253 Ca -0.26 -0.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.41 3h76 s HIS 253 Cb 0.08 -0.77 0.02 0.00 1.11 0.00 0.00 32.58 33.02 3h76 s HIS 253 CO 0.71 -0.05 -0.19 0.08 -0.85 0.00 0.00 174.74 174.45 3h76 s VAL 254 N -0.19 2.14 -0.44 -0.90 1.01 -0.46 -0.78 120.40 120.78 3h76 s VAL 254 Ca 0.03 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3h76 s VAL 254 Cb -0.06 -1.91 0.11 0.00 0.00 0.00 0.00 36.38 34.51 3h76 s VAL 254 CO -0.00 0.51 0.28 -0.63 0.00 0.00 0.00 175.10 175.26 3h76 s ILE 255 N 1.30 3.94 -0.02 2.22 -1.09 0.07 -1.88 121.20 125.73 3h76 s ILE 255 Ca 0.05 -1.76 0.07 0.00 -2.23 0.00 0.00 60.65 56.77 3h76 s ILE 255 Cb -0.13 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 3h76 s ILE 255 CO -0.12 -0.68 -0.23 0.00 -1.23 0.00 0.00 174.94 172.68 3h76 n HIS 257 N 2.33 1.09 -3.28 0.00 -0.00 0.10 -4.93 115.22 110.53 3h76 n HIS 257 Ca -0.16 0.72 -0.25 0.00 0.46 0.00 0.00 57.72 58.48 3h76 n HIS 257 Cb 0.51 -1.74 -0.08 0.00 -0.12 0.00 0.00 29.99 28.56 3h76 n HIS 257 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3h76 n GLN 258 N 4.64 1.10 0.25 1.57 10.64 -1.26 -4.51 117.38 129.80 3h76 n GLN 258 Ca 0.35 -3.57 0.16 0.00 -1.83 0.00 0.00 57.00 52.11 3h76 n GLN 258 Cb -0.04 -1.51 0.67 0.00 -0.86 0.00 0.00 30.24 28.50 3h76 n GLN 258 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 3h76 h PRO 259 N 4.22 0.00 -3.12 2.61 0.13 -1.95 -3.44 132.00 130.44 3h76 h PRO 259 Ca 0.12 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.29 3h76 h PRO 259 Cb 0.83 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.91 3h76 h PRO 259 CO 0.54 0.00 0.17 0.54 -0.23 0.00 0.00 178.00 179.02 3h76 s ASN 260 N -5.32 -0.20 0.38 1.44 6.03 -1.26 -4.46 114.94 111.55 3h76 s ASN 260 Ca 0.02 -0.71 0.20 0.00 -1.03 0.00 0.00 52.86 51.34 3h76 s ASN 260 Cb 0.09 0.71 0.64 0.00 -3.03 0.00 0.00 41.25 39.66 3h76 s ASN 260 CO 0.50 -1.33 1.71 0.25 -2.03 0.00 0.00 177.10 176.19 3h76 h LEU 261 N 2.05 0.00 -0.24 3.54 5.85 -0.31 -3.28 115.31 122.91 3h76 h LEU 261 Ca -0.21 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.30 3h76 h LEU 261 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3h76 h LEU 261 CO 0.26 0.34 -0.90 0.08 -0.34 0.00 0.00 178.44 177.88 3h76 h ARG 262 N 0.00 0.27 -0.80 1.25 -0.00 -1.85 0.97 114.38 114.21 3h76 h ARG 262 Ca -0.00 -0.29 0.03 0.00 -0.00 0.00 0.00 59.98 59.71 3h76 h ARG 262 Cb 0.94 0.08 -0.05 0.00 -0.00 0.00 0.00 29.97 30.95 3h76 h ARG 262 CO 0.04 1.01 0.52 0.82 -0.00 0.00 0.00 179.97 182.36 3h76 h ILE 263 N 0.15 1.14 -0.10 0.08 2.04 -1.94 -1.07 117.51 117.81 3h76 h ILE 263 Ca -0.06 -0.35 -0.21 0.00 1.00 0.00 0.00 64.86 65.24 3h76 h ILE 263 Cb 1.54 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3h76 h ILE 263 CO 0.14 0.19 -0.80 0.25 0.00 0.00 0.00 178.15 177.93 3h76 h LEU 264 N 1.02 0.74 -0.41 1.44 6.46 -1.56 -2.45 115.31 120.54 3h76 h LEU 264 Ca 0.31 -0.51 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 3h76 h LEU 264 Cb -0.02 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.67 3h76 h LEU 264 CO -0.10 1.28 0.27 0.44 -0.62 0.00 0.00 178.44 179.71 3h76 h ASP 265 N 0.41 0.46 -0.70 1.25 3.32 -0.70 -0.04 116.42 120.42 3h76 h ASP 265 Ca -0.05 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.05 3h76 h ASP 265 Cb 1.42 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.79 3h76 h ASP 265 CO 0.15 0.34 0.39 0.00 -1.72 0.00 0.00 179.24 178.40 3h76 h ALA 266 N 1.15 0.96 -0.36 3.45 0.00 -1.17 -0.98 119.26 122.30 3h76 h ALA 266 Ca 0.15 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3h76 h ALA 266 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3h76 h ALA 266 CO -0.03 0.04 -0.09 0.28 0.00 0.00 0.00 179.25 179.45 3h76 h VAL 267 N 0.69 1.28 0.57 0.00 2.07 -1.09 -1.36 116.25 118.42 3h76 h VAL 267 Ca 0.32 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3h76 h VAL 267 Cb 0.24 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3h76 h VAL 267 CO -0.21 0.38 -0.48 1.56 0.02 0.00 0.00 177.57 178.84 3h76 h GLN 268 N 0.49 -1.00 -0.24 1.57 4.20 -0.68 -1.17 115.11 118.29 3h76 h GLN 268 Ca 0.09 0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3h76 h GLN 268 Cb 0.60 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3h76 h GLN 268 CO 0.04 -0.67 -0.23 1.05 -0.67 0.00 0.00 178.83 178.35 3h76 h GLU 269 N -1.04 0.44 0.00 1.46 4.11 -1.20 -1.37 114.58 116.98 3h76 h GLU 269 Ca -0.07 -0.16 -0.09 0.00 0.07 0.00 0.00 59.36 59.11 3h76 h GLU 269 Cb 0.88 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3h76 h GLU 269 CO -0.01 0.65 -0.42 1.96 0.07 0.00 0.00 179.01 181.26 3h76 h GLN 270 N 0.40 0.00 0.00 1.06 4.20 -1.24 -3.23 115.11 116.31 3h76 h GLN 270 Ca 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3h76 h GLN 270 Cb 0.62 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 3h76 h GLN 270 CO 0.04 0.42 -0.71 -0.07 -0.67 0.00 0.00 178.83 177.85 3h76 h LEU 271 N 0.00 0.00 0.30 1.46 3.38 -0.52 -3.48 115.31 116.45 3h76 h LEU 271 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3h76 h LEU 271 Cb 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3h76 h LEU 271 CO 0.05 0.05 -0.12 0.61 0.09 0.00 0.00 178.44 179.13 3h76 n GLY 272 N 1.17 0.76 3.72 0.83 0.00 -0.58 -5.02 105.19 106.07 3h76 n GLY 272 Ca 0.01 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3h76 n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h76 s ILE 273 N -1.90 4.85 0.26 -0.61 1.01 -1.25 -5.01 121.20 118.55 3h76 s ILE 273 Ca 0.00 1.84 -0.30 0.00 0.00 0.00 0.00 60.65 62.19 3h76 s ILE 273 Cb 0.00 -4.22 -0.14 0.00 0.01 0.00 0.00 42.46 38.11 3h76 s ILE 273 CO 0.00 0.23 1.14 -2.65 0.00 0.00 0.00 174.94 173.67 3h76 n PRO 274 N 3.58 1.50 0.27 2.79 -0.02 -1.26 -4.81 135.00 137.05 3h76 n PRO 274 Ca 0.02 0.53 0.18 0.00 -2.02 0.00 0.00 63.50 62.21 3h76 n PRO 274 Cb 0.51 -2.00 0.77 0.00 -0.02 0.00 0.00 33.50 32.76 3h76 n PRO 274 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3h76 h GLN 275 N 2.77 0.00 0.00 -0.52 3.07 -1.95 -0.67 115.11 117.81 3h76 h GLN 275 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.32 3h76 h GLN 275 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 3h76 h GLN 275 CO 0.66 0.00 0.00 1.12 0.09 0.00 0.00 178.83 180.70 3h76 h HIS 276 N 0.00 0.00 0.00 0.06 2.07 -2.00 -2.67 115.15 112.61 3h76 h HIS 276 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 3h76 h HIS 276 Cb 0.37 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.35 3h76 h HIS 276 CO 0.00 0.00 -0.13 0.87 -3.07 0.00 0.00 177.93 175.60 3h76 h LYS 277 N 0.00 0.00 -6.26 5.12 1.57 -1.39 -3.43 116.57 112.18 3h76 h LYS 277 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3h76 h LYS 277 Cb 0.60 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 3h76 h LYS 277 CO 0.00 0.13 0.92 -0.06 -0.57 0.00 0.00 179.45 179.87 3h76 s PHE 278 N -3.43 2.86 0.06 -1.35 0.08 -1.01 -1.36 117.98 113.84 3h76 s PHE 278 Ca 0.03 1.01 -0.31 0.00 0.12 0.00 0.00 56.93 57.79 3h76 s PHE 278 Cb 0.08 -3.70 -0.06 0.00 -0.57 0.00 0.00 43.02 38.77 3h76 s PHE 278 CO 0.63 -1.46 1.24 0.00 -0.10 0.00 0.00 175.22 175.53 3h76 s ALA 279 N 3.89 3.43 -0.13 5.36 0.00 -0.79 -4.98 121.76 128.55 3h76 s ALA 279 Ca 0.53 0.89 0.03 0.00 0.00 0.00 0.00 51.96 53.40 3h76 s ALA 279 Cb -0.17 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3h76 s ALA 279 CO 0.18 -0.49 -0.21 0.08 0.00 0.00 0.00 175.76 175.32 3h76 s VAL 280 N 1.14 2.21 0.00 0.00 1.01 -1.26 -4.67 120.40 118.84 3h76 s VAL 280 Ca 0.60 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3h76 s VAL 280 Cb -0.31 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3h76 s VAL 280 CO 0.29 0.55 0.00 0.35 0.00 0.00 0.00 175.10 176.29 3h76 n THR 281 N 3.81 0.00 0.12 3.92 -2.24 -1.26 -4.88 114.28 113.75 3h76 n THR 281 Ca -0.19 -0.28 0.06 0.00 -2.27 0.00 0.00 64.05 61.37 3h76 n THR 281 Cb 0.52 0.81 0.53 0.00 -2.10 0.00 0.00 70.33 70.10 3h76 n THR 281 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3h76 h VAL 282 N 0.00 1.05 0.00 2.28 3.04 -1.85 0.97 116.25 121.75 3h76 h VAL 282 Ca 0.00 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 3h76 h VAL 282 Cb 0.00 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 30.02 3h76 h VAL 282 CO 0.00 0.05 -0.05 -2.24 -1.01 0.00 0.00 177.57 174.32 3h76 h ASP 283 N 0.28 0.00 0.00 3.17 2.03 -1.88 -2.08 116.42 117.93 3h76 h ASP 283 Ca 0.08 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.24 3h76 h ASP 283 Cb -0.01 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.46 3h76 h ASP 283 CO -0.02 0.05 -1.51 -1.14 -1.03 0.00 0.00 179.24 175.59 3h76 n ARG 284 N -4.38 2.60 -0.00 4.15 0.63 -0.79 -0.39 116.66 118.48 3h76 n ARG 284 Ca -0.03 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.92 3h76 n ARG 284 Cb 0.13 -1.19 -0.03 0.00 0.45 0.00 0.00 32.46 31.82 3h76 n ARG 284 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3h76 n LEU 285 N -2.31 0.21 0.00 6.15 4.77 0.27 -3.79 117.00 122.30 3h76 n LEU 285 Ca -0.12 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 3h76 n LEU 285 Cb 0.74 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3h76 n LEU 285 CO 0.15 0.05 -0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3h76 n GLY 286 N 1.18 -1.92 3.48 -0.72 0.00 -0.78 -4.16 105.19 102.27 3h76 n GLY 286 Ca 0.01 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 3h76 n GLY 286 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h76 s ASN 287 N -3.90 6.27 -0.23 1.61 2.47 0.76 -4.54 114.94 117.38 3h76 s ASN 287 Ca 0.00 -0.66 0.09 0.00 0.42 0.00 0.00 52.86 52.71 3h76 s ASN 287 Cb 0.00 -2.39 0.62 0.00 -1.45 0.00 0.00 41.25 38.03 3h76 s ASN 287 CO 0.00 -1.19 1.56 0.23 -3.72 0.00 0.00 177.10 173.97 3h76 n MET 288 N 7.18 3.56 0.00 0.43 2.81 -1.26 -1.22 117.12 128.62 3h76 n MET 288 Ca -0.02 -2.48 0.00 0.00 -1.81 0.00 0.00 57.70 53.40 3h76 n MET 288 Cb 0.46 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.91 3h76 n MET 288 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h76 n ALA 289 N 0.15 0.00 0.30 3.04 0.00 -1.26 -1.95 120.51 120.79 3h76 n ALA 289 Ca 0.29 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.90 3h76 n ALA 289 Cb 1.12 0.00 0.81 0.00 0.00 0.00 0.00 19.45 21.38 3h76 n ALA 289 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h76 h SER 290 N 0.00 0.00 1.29 0.00 4.64 -1.85 -2.20 113.55 115.43 3h76 h SER 290 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3h76 h SER 290 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3h76 h SER 290 CO 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.89 3h76 h ALA 291 N 2.04 0.99 -0.27 5.18 0.00 -1.57 -3.36 119.26 122.26 3h76 h ALA 291 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3h76 h ALA 291 Cb 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h76 h ALA 291 CO 0.00 0.09 0.05 0.77 0.00 0.00 0.00 179.25 180.16 3h76 h SER 292 N 0.00 0.43 0.47 0.00 0.02 -1.51 -1.69 113.55 111.27 3h76 h SER 292 Ca -0.00 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3h76 h SER 292 Cb 0.74 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3h76 h SER 292 CO 0.01 0.57 -0.23 0.74 -1.14 0.00 0.00 176.83 176.78 3h76 h THR 293 N 0.26 0.54 -0.11 -2.27 2.02 -1.79 -1.96 112.91 109.61 3h76 h THR 293 Ca 0.08 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3h76 h THR 293 Cb 0.32 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3h76 h THR 293 CO 0.00 0.02 -0.25 1.55 0.37 0.00 0.00 175.52 177.21 3h76 h PRO 294 N -0.69 0.19 -0.06 6.66 0.13 -1.74 -0.83 132.00 135.66 3h76 h PRO 294 Ca -0.06 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3h76 h PRO 294 Cb 0.51 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 3h76 h PRO 294 CO 0.11 0.43 0.02 0.28 -0.23 0.00 0.00 178.00 178.61 3h76 h VAL 295 N 0.17 1.16 -0.55 1.56 2.07 -1.34 0.85 116.25 120.18 3h76 h VAL 295 Ca 0.03 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3h76 h VAL 295 Cb 0.54 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3h76 h VAL 295 CO 0.04 0.14 0.35 0.00 0.02 0.00 0.00 177.57 178.11 3h76 h THR 296 N -0.09 1.11 -0.18 2.57 1.03 -1.18 0.31 112.91 116.48 3h76 h THR 296 Ca 0.02 -0.24 0.03 0.00 -0.01 0.00 0.00 66.41 66.21 3h76 h THR 296 Cb 0.20 0.34 -0.03 0.00 -1.07 0.00 0.00 68.15 67.59 3h76 h THR 296 CO -0.00 0.13 -0.01 0.25 -0.01 0.00 0.00 175.52 175.88 3h76 h LEU 297 N 0.71 -0.09 -0.52 0.00 5.85 -1.10 -1.60 115.31 118.55 3h76 h LEU 297 Ca 0.21 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 3h76 h LEU 297 Cb -0.04 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3h76 h LEU 297 CO -0.06 -0.02 0.10 0.00 -0.34 0.00 0.00 178.44 178.11 3h76 h ALA 298 N 1.16 0.69 -0.94 1.25 0.00 -0.39 -0.27 119.26 120.76 3h76 h ALA 298 Ca 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3h76 h ALA 298 Cb 0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3h76 h ALA 298 CO -0.15 0.41 0.61 0.52 0.00 0.00 0.00 179.25 180.64 3h76 h MET 299 N 0.74 1.12 -0.00 0.00 2.86 -0.90 -3.08 114.93 115.67 3h76 h MET 299 Ca 0.16 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3h76 h MET 299 Cb 0.38 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3h76 h MET 299 CO 0.01 0.74 -0.51 1.19 1.06 0.00 0.00 176.91 179.40 3h76 n PHE 300 N -4.51 0.00 -0.19 -0.22 3.72 -0.61 -4.44 117.46 111.22 3h76 n PHE 300 Ca 0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.52 3h76 n PHE 300 Cb 0.12 -0.17 0.08 0.00 -0.94 0.00 0.00 39.48 38.57 3h76 n PHE 300 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 3h76 h TRP 301 N 0.44 -0.07 0.00 1.38 2.91 -0.95 -0.39 115.95 119.26 3h76 h TRP 301 Ca 0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 3h76 h TRP 301 Cb 0.52 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.29 3h76 h TRP 301 CO 0.00 -0.16 0.00 -1.35 -1.03 0.00 0.00 178.44 175.90 3h76 h PRO 302 N 0.10 0.00 -0.01 2.65 0.11 -1.79 -1.62 132.00 131.44 3h76 h PRO 302 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3h76 h PRO 302 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3h76 h PRO 302 CO -0.50 0.00 -0.25 -0.25 -0.21 0.00 0.00 178.00 176.79 3h76 n ASP 303 N -2.38 1.40 -4.61 -2.05 8.00 -0.17 -4.78 116.55 111.97 3h76 n ASP 303 Ca -0.01 -1.16 -0.40 0.00 0.71 0.00 0.00 54.79 53.93 3h76 n ASP 303 Cb 0.08 0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.29 3h76 n ASP 303 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h76 s ILE 304 N -2.40 5.07 0.39 0.53 1.01 -0.61 -5.08 121.20 120.12 3h76 s ILE 304 Ca 0.25 0.80 0.03 0.00 0.00 0.00 0.00 60.65 61.73 3h76 s ILE 304 Cb 0.19 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3h76 s ILE 304 CO 0.49 0.06 0.58 -1.10 0.00 0.00 0.00 174.94 174.97 3h76 s GLN 305 N 2.30 3.12 0.35 2.79 1.11 -1.26 -4.99 119.66 123.08 3h76 s GLN 305 Ca 0.20 -0.68 -0.29 0.00 0.01 0.00 0.00 55.36 54.61 3h76 s GLN 305 Cb -0.16 -2.67 -0.11 0.00 -1.01 0.00 0.00 33.01 29.06 3h76 s GLN 305 CO 0.10 -0.10 1.50 -2.30 0.01 0.00 0.00 175.29 174.50 3h76 n PRO 306 N -1.87 2.63 0.00 2.91 -0.02 -1.26 -2.28 135.00 135.10 3h76 n PRO 306 Ca -0.00 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3h76 n PRO 306 Cb 0.58 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3h76 n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h76 n GLY 307 N 0.93 3.09 3.78 -1.23 0.00 0.45 -4.98 105.19 107.22 3h76 n GLY 307 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3h76 n GLY 307 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h76 s GLN 308 N -0.35 4.48 -0.26 1.61 -0.21 -0.97 -4.73 119.66 119.23 3h76 s GLN 308 Ca 0.00 1.48 -0.12 0.00 0.02 0.00 0.00 55.36 56.73 3h76 s GLN 308 Cb 0.00 -2.81 -0.05 0.00 1.00 0.00 0.00 33.01 31.15 3h76 s GLN 308 CO 0.00 0.15 0.24 1.03 -2.12 0.00 0.00 175.29 174.59 3h76 s ARG 309 N -2.04 4.02 -0.20 2.91 0.52 -1.26 -2.16 118.95 120.74 3h76 s ARG 309 Ca 0.51 -0.18 -0.06 0.00 -0.52 0.00 0.00 55.73 55.48 3h76 s ARG 309 Cb -0.22 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.60 3h76 s ARG 309 CO 0.28 -0.12 0.02 0.08 0.02 0.00 0.00 175.30 175.59 3h76 s VAL 310 N 1.57 4.23 -0.27 3.52 1.01 0.19 -0.75 120.40 129.91 3h76 s VAL 310 Ca 0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 3h76 s VAL 310 Cb -0.15 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3h76 s VAL 310 CO 0.09 0.43 0.16 -0.22 0.00 0.00 0.00 175.10 175.56 3h76 s LEU 311 N 0.83 3.88 -0.17 3.92 2.96 0.04 -0.98 118.68 129.16 3h76 s LEU 311 Ca 0.02 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.82 3h76 s LEU 311 Cb -0.14 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 3h76 s LEU 311 CO 0.02 -0.04 0.00 -0.69 -1.32 0.00 0.00 176.35 174.32 3h76 s VAL 312 N 1.71 4.26 -0.07 1.68 1.01 -0.53 -0.76 120.40 127.70 3h76 s VAL 312 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3h76 s VAL 312 Cb -0.16 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.36 3h76 s VAL 312 CO 0.09 0.48 -0.01 -0.76 0.00 0.00 0.00 175.10 174.90 3h76 s LEU 313 N 0.36 0.77 0.11 3.92 1.43 -0.05 -0.52 118.68 124.70 3h76 s LEU 313 Ca -0.01 -0.11 0.09 0.00 -1.03 0.00 0.00 54.13 53.07 3h76 s LEU 313 Cb -0.13 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 3h76 s LEU 313 CO 0.02 -0.16 -0.21 0.42 0.23 0.00 0.00 176.35 176.65 3h76 s THR 314 N 1.76 2.65 -0.07 5.49 -4.23 -0.89 0.02 115.64 120.37 3h76 s THR 314 Ca 0.02 -1.52 -0.08 0.00 -1.18 0.00 0.00 61.69 58.94 3h76 s THR 314 Cb -0.13 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.55 3h76 s THR 314 CO -0.05 0.14 0.21 -0.47 -0.54 0.00 0.00 174.62 173.92 3h76 s TYR 315 N -1.07 -0.21 0.16 3.99 5.04 -1.26 -2.68 117.35 121.32 3h76 s TYR 315 Ca 0.16 0.50 -0.01 0.00 -2.44 0.00 0.00 57.07 55.28 3h76 s TYR 315 Cb -0.10 0.07 -0.04 0.00 0.35 0.00 0.00 41.96 42.24 3h76 s TYR 315 CO 0.08 -0.14 0.10 0.20 -1.34 0.00 0.00 175.55 174.45 3h76 s GLY 316 N -0.07 1.18 0.60 8.97 0.00 0.01 -4.31 107.32 113.69 3h76 s GLY 316 Ca -0.02 -1.55 -0.18 0.00 0.00 0.00 0.00 44.72 42.97 3h76 s GLY 316 CO 0.01 -1.36 0.86 -1.26 0.00 0.00 0.00 173.10 171.35 3h76 n SER 317 N -0.18 0.33 0.00 1.64 2.88 -1.26 -1.92 113.62 115.11 3h76 n SER 317 Ca -0.02 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 3h76 n SER 317 Cb 0.65 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 3h76 n SER 317 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h76 n GLY 318 N 1.41 1.36 1.17 0.46 0.00 -1.26 -3.80 105.19 104.53 3h76 n GLY 318 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3h76 n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h76 n ALA 319 N -1.37 -1.00 -2.43 4.61 0.00 -1.13 -3.19 120.51 115.99 3h76 n ALA 319 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3h76 n ALA 319 Cb 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 19.45 19.08 3h76 n ALA 319 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h76 s THR 320 N 0.00 2.33 0.19 0.00 -4.23 -0.81 -0.29 115.64 112.84 3h76 s THR 320 Ca 0.00 -2.09 -0.23 0.00 -1.18 0.00 0.00 61.69 58.20 3h76 s THR 320 Cb 0.00 -2.13 0.05 0.00 1.34 0.00 0.00 72.50 71.76 3h76 s THR 320 CO 0.00 -0.18 0.66 -1.66 -0.54 0.00 0.00 174.62 172.90 3h76 s TRP 321 N -1.84 -0.41 0.08 3.99 -2.14 -0.23 -0.81 118.94 117.59 3h76 s TRP 321 Ca 0.22 0.12 -0.26 0.00 2.66 0.00 0.00 56.10 58.84 3h76 s TRP 321 Cb -0.07 0.61 0.08 0.00 -3.10 0.00 0.00 33.47 30.99 3h76 s TRP 321 CO 0.10 -0.97 0.74 0.20 -2.66 0.00 0.00 176.95 174.37 3h76 s GLY 322 N -2.80 -0.54 -0.06 3.67 0.00 -1.09 -0.79 107.32 105.71 3h76 s GLY 322 Ca 0.05 0.73 -0.03 0.00 0.00 0.00 0.00 44.72 45.47 3h76 s GLY 322 CO -0.06 0.24 0.13 0.00 0.00 0.00 0.00 173.10 173.41 3h76 s ALA 323 N -3.45 -0.18 0.03 3.20 0.00 -0.57 -2.10 121.76 118.70 3h76 s ALA 323 Ca 0.03 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.64 3h76 s ALA 323 Cb -0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3h76 s ALA 323 CO -0.11 -0.25 -0.11 0.00 0.00 0.00 0.00 175.76 175.29 3h76 s ALA 324 N 1.43 2.85 -0.20 0.00 0.00 0.32 -1.64 121.76 124.52 3h76 s ALA 324 Ca -0.06 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 3h76 s ALA 324 Cb -0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 3h76 s ALA 324 CO -0.05 0.60 -0.03 -1.17 0.00 0.00 0.00 175.76 175.10 3h76 s LEU 325 N -1.55 3.02 -0.05 0.00 2.96 -0.86 -1.46 118.68 120.73 3h76 s LEU 325 Ca 0.17 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3h76 s LEU 325 Cb -0.11 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.83 3h76 s LEU 325 CO 0.08 0.03 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.53 3h76 s TYR 326 N 1.17 1.50 -0.20 5.38 5.04 -0.15 -0.54 117.35 129.55 3h76 s TYR 326 Ca 0.02 -0.50 -0.02 0.00 -2.44 0.00 0.00 57.07 54.13 3h76 s TYR 326 Cb -0.14 -1.06 -0.00 0.00 0.35 0.00 0.00 41.96 41.10 3h76 s TYR 326 CO -0.00 -0.23 -0.09 0.50 -1.34 0.00 0.00 175.55 174.40 3h76 s ARG 327 N 0.41 3.30 -0.06 4.97 3.52 -0.80 0.57 118.95 130.86 3h76 s ARG 327 Ca -0.10 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.53 3h76 s ARG 327 Cb -0.14 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.33 3h76 s ARG 327 CO 0.03 -0.14 1.63 0.21 -0.81 0.00 0.00 175.30 176.22 3h76 s LYS 328 N 1.28 4.19 0.00 5.12 2.20 -0.92 -1.55 119.74 130.05 3h76 s LYS 328 Ca 0.03 2.16 0.14 0.00 -0.36 0.00 0.00 55.97 57.95 3h76 s LYS 328 Cb -0.14 -3.96 0.83 0.00 -1.51 0.00 0.00 37.83 33.04 3h76 s LYS 328 CO -0.04 -0.83 1.25 -2.30 -0.36 0.00 0.00 175.35 173.06