#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h77 n GLY 1 N 0.00 0.36 3.75 1.08 0.00 -0.51 -4.96 105.19 104.92 3h77 n GLY 1 Ca 0.00 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 3h77 n GLY 1 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h77 s ASN 2 N -1.00 7.54 0.83 1.61 0.01 0.05 -4.47 114.94 119.52 3h77 s ASN 2 Ca 0.00 2.04 -0.14 0.00 -0.71 0.00 0.00 52.86 54.05 3h77 s ASN 2 Cb 0.00 -2.61 0.04 0.00 0.41 0.00 0.00 41.25 39.08 3h77 s ASN 2 CO 0.00 0.07 0.77 -2.65 -1.51 0.00 0.00 177.10 173.78 3h77 n PRO 3 N 1.42 0.05 -4.37 -0.60 -0.02 -1.26 -2.98 135.00 127.24 3h77 n PRO 3 Ca -0.02 0.08 -0.25 0.00 -2.02 0.00 0.00 63.50 61.29 3h77 n PRO 3 Cb 0.46 -2.09 -0.12 0.00 -0.02 0.00 0.00 33.50 31.74 3h77 n PRO 3 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3h77 s ILE 4 N -2.16 2.07 -0.68 4.25 -4.36 0.33 -0.84 121.20 119.80 3h77 s ILE 4 Ca 0.66 -1.92 -0.23 0.00 -0.26 0.00 0.00 60.65 58.90 3h77 s ILE 4 Cb -0.28 -1.95 0.07 0.00 1.25 0.00 0.00 42.46 41.55 3h77 s ILE 4 CO 0.58 -0.18 1.00 -0.76 0.24 0.00 0.00 174.94 175.82 3h77 s LEU 5 N -2.56 4.30 0.29 0.37 1.43 -1.26 -1.27 118.68 119.98 3h77 s LEU 5 Ca 0.17 -0.99 0.15 0.00 -1.03 0.00 0.00 54.13 52.43 3h77 s LEU 5 Cb -0.07 -2.43 0.25 0.00 0.03 0.00 0.00 46.19 43.97 3h77 s LEU 5 CO 0.08 -1.46 1.53 0.00 0.23 0.00 0.00 176.35 176.73 3h77 h ALA 6 N 9.58 0.75 -1.83 4.21 0.00 -1.27 -3.46 119.26 127.23 3h77 h ALA 6 Ca -0.27 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 3h77 h ALA 6 Cb 1.07 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.55 3h77 h ALA 6 CO 1.19 0.66 0.30 0.20 0.00 0.00 0.00 179.25 181.60 3h77 s GLY 7 N -4.46 -0.41 0.06 0.00 0.00 -1.22 -3.61 107.32 97.69 3h77 s GLY 7 Ca 0.02 1.95 0.02 0.00 0.00 0.00 0.00 44.72 46.71 3h77 s GLY 7 CO 0.73 1.38 -0.08 1.08 0.00 0.00 0.00 173.10 176.21 3h77 s LEU 8 N -0.44 2.33 0.15 0.66 1.02 -1.26 -0.22 118.68 120.93 3h77 s LEU 8 Ca -0.03 -0.69 -0.16 0.00 0.02 0.00 0.00 54.13 53.27 3h77 s LEU 8 Cb -0.03 -0.18 0.03 0.00 0.02 0.00 0.00 46.19 46.03 3h77 s LEU 8 CO 0.02 -0.26 0.43 -0.83 0.02 0.00 0.00 176.35 175.73 3h77 s GLY 9 N -2.02 -0.16 0.11 -3.19 0.00 -0.12 -3.88 107.32 98.06 3h77 s GLY 9 Ca -0.03 -0.16 -0.15 0.00 0.00 0.00 0.00 44.72 44.38 3h77 s GLY 9 CO -0.01 -0.33 0.36 -0.11 0.00 0.00 0.00 173.10 173.01 3h77 s PHE 10 N -3.84 -0.14 -0.12 1.90 -0.12 -1.26 -0.69 117.98 113.72 3h77 s PHE 10 Ca 0.06 -0.17 -0.08 0.00 -0.05 0.00 0.00 56.93 56.69 3h77 s PHE 10 Cb 0.01 0.20 0.04 0.00 -0.63 0.00 0.00 43.02 42.64 3h77 s PHE 10 CO -0.08 -0.66 0.29 0.45 -0.05 0.00 0.00 175.22 175.17 3h77 s SER 11 N -2.73 -0.32 0.10 1.98 0.15 -0.14 -4.51 113.70 108.23 3h77 s SER 11 Ca 0.02 0.60 0.07 0.00 0.70 0.00 0.00 55.95 57.35 3h77 s SER 11 Cb 0.02 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.84 3h77 s SER 11 CO -0.11 -0.14 -0.19 -0.76 1.20 0.00 0.00 173.24 173.24 3h77 s LEU 12 N 0.79 2.31 0.92 3.45 1.43 -1.26 -1.39 118.68 124.93 3h77 s LEU 12 Ca -0.05 -0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 52.25 3h77 s LEU 12 Cb -0.06 -0.77 0.15 0.00 0.03 0.00 0.00 46.19 45.53 3h77 s LEU 12 CO -0.05 0.01 1.13 -2.84 0.23 0.00 0.00 176.35 174.82 3h77 s PRO 13 N -1.99 0.99 0.10 1.29 0.02 -1.26 -4.97 135.00 129.18 3h77 s PRO 13 Ca 0.05 1.42 -0.06 0.00 0.02 0.00 0.00 61.00 62.43 3h77 s PRO 13 Cb -0.09 -1.73 -0.18 0.00 0.02 0.00 0.00 34.50 32.52 3h77 s PRO 13 CO 0.04 -2.61 1.23 0.87 -0.33 0.00 0.00 177.00 176.20 3h77 h LYS 14 N -1.85 0.43 -6.31 5.54 1.57 -1.96 -3.45 116.57 110.54 3h77 h LYS 14 Ca -0.45 -0.53 -0.57 0.00 -1.87 0.00 0.00 60.65 57.23 3h77 h LYS 14 Cb 1.27 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.69 3h77 h LYS 14 CO 0.44 1.19 0.88 0.50 -0.57 0.00 0.00 179.45 181.88 3h77 s ARG 15 N -3.08 4.04 0.04 3.15 3.52 -1.26 -4.97 118.95 120.40 3h77 s ARG 15 Ca -0.06 1.15 -0.30 0.00 -0.13 0.00 0.00 55.73 56.39 3h77 s ARG 15 Cb 0.08 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 3h77 s ARG 15 CO 0.88 -0.94 1.00 -1.14 -0.81 0.00 0.00 175.30 174.30 3h77 s GLN 16 N 3.76 4.58 -0.24 5.12 0.74 -1.26 -1.56 119.66 130.80 3h77 s GLN 16 Ca 0.48 1.47 -0.01 0.00 0.05 0.00 0.00 55.36 57.35 3h77 s GLN 16 Cb -0.14 -3.42 0.03 0.00 1.10 0.00 0.00 33.01 30.58 3h77 s GLN 16 CO 0.17 -0.00 -0.08 0.08 -0.55 0.00 0.00 175.29 174.91 3h77 s VAL 17 N 0.74 2.73 0.60 1.34 1.01 0.19 -4.95 120.40 122.07 3h77 s VAL 17 Ca 0.51 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3h77 s VAL 17 Cb -0.23 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.81 3h77 s VAL 17 CO 0.29 0.22 0.88 -0.94 0.00 0.00 0.00 175.10 175.54 3h77 s SER 18 N 1.30 5.22 0.24 3.32 1.04 -1.26 -1.29 113.70 122.27 3h77 s SER 18 Ca -0.00 0.32 -0.05 0.00 0.48 0.00 0.00 55.95 56.70 3h77 s SER 18 Cb -0.16 -1.17 0.36 0.00 0.10 0.00 0.00 66.02 65.14 3h77 s SER 18 CO -0.05 -1.25 1.82 0.78 0.98 0.00 0.00 173.24 175.52 3h77 h ASN 19 N -0.19 0.72 -0.82 7.02 2.35 -1.83 -2.11 115.58 120.71 3h77 h ASN 19 Ca -0.44 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.38 3h77 h ASN 19 Cb 1.29 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.51 3h77 h ASN 19 CO 0.57 0.43 0.54 -0.74 -1.65 0.00 0.00 177.43 176.58 3h77 h HIS 20 N 0.84 1.00 -0.02 1.19 -0.00 -1.94 -0.11 115.15 116.11 3h77 h HIS 20 Ca 0.38 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.78 3h77 h HIS 20 Cb 0.29 -0.33 -0.00 0.00 -0.00 0.00 0.00 27.41 27.36 3h77 h HIS 20 CO -0.05 0.59 0.01 -0.44 -0.00 0.00 0.00 177.93 178.04 3h77 h ASP 21 N 1.04 0.00 0.70 3.26 3.32 -1.75 -3.01 116.42 119.98 3h77 h ASP 21 Ca 0.32 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.22 3h77 h ASP 21 Cb -0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3h77 h ASP 21 CO -0.09 0.00 -1.41 0.18 -1.72 0.00 0.00 179.24 176.20 3h77 n LEU 22 N -4.23 0.82 0.27 1.55 4.32 -0.10 -4.30 117.00 115.33 3h77 n LEU 22 Ca -0.03 0.35 0.18 0.00 -0.02 0.00 0.00 56.01 56.50 3h77 n LEU 22 Cb 0.10 0.07 0.87 0.00 -1.62 0.00 0.00 43.42 42.84 3h77 n LEU 22 CO 0.31 0.12 1.04 0.58 -1.22 0.00 0.00 177.39 178.21 3h77 h VAL 23 N 0.00 0.00 0.00 4.08 2.07 -1.29 -1.16 116.25 119.95 3h77 h VAL 23 Ca -0.15 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 3h77 h VAL 23 Cb 1.53 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3h77 h VAL 23 CO 0.04 0.00 -0.48 1.23 0.02 0.00 0.00 177.57 178.38 3h77 h GLY 24 N 1.01 0.00 0.00 2.17 0.00 -1.75 -3.36 103.07 101.14 3h77 h GLY 24 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3h77 h GLY 24 CO 0.00 0.00 -1.88 0.54 0.00 0.00 0.00 176.54 175.20 3h77 n ARG 25 N -3.61 1.10 -5.24 4.80 1.74 -0.68 -4.98 116.66 109.78 3h77 n ARG 25 Ca -0.00 -0.07 -0.31 0.00 -0.77 0.00 0.00 57.85 56.70 3h77 n ARG 25 Cb 0.56 -1.38 -0.16 0.00 -1.02 0.00 0.00 32.46 30.46 3h77 n ARG 25 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3h77 s ILE 26 N -2.69 2.01 -1.23 0.55 1.01 -0.53 -4.81 121.20 115.51 3h77 s ILE 26 Ca -0.07 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.33 3h77 s ILE 26 Cb 0.07 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 3h77 s ILE 26 CO 0.63 0.56 1.85 -3.20 0.00 0.00 0.00 174.94 174.78 3h77 n ASN 27 N 2.87 3.96 -1.90 3.58 5.15 -1.26 -4.52 115.26 123.14 3h77 n ASN 27 Ca -0.17 -2.81 -0.03 0.00 -0.60 0.00 0.00 54.58 50.97 3h77 n ASN 27 Cb 0.52 -1.72 0.01 0.00 -0.53 0.00 0.00 39.78 38.07 3h77 n ASN 27 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3h77 n THR 28 N 6.96 0.00 -4.13 -0.44 5.66 -1.26 -5.04 114.28 116.02 3h77 n THR 28 Ca 0.47 -0.40 -0.13 0.00 -3.05 0.00 0.00 64.05 60.94 3h77 n THR 28 Cb 0.46 0.43 -0.11 0.00 -1.55 0.00 0.00 70.33 69.55 3h77 n THR 28 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3h77 s SER 29 N -2.01 1.18 0.24 1.09 1.04 -1.26 -4.83 113.70 109.15 3h77 s SER 29 Ca 0.08 -0.73 -0.05 0.00 0.48 0.00 0.00 55.95 55.73 3h77 s SER 29 Cb -0.02 0.03 0.44 0.00 0.10 0.00 0.00 66.02 66.57 3h77 s SER 29 CO 0.05 -0.27 1.71 -0.78 0.98 0.00 0.00 173.24 174.93 3h77 h ASP 30 N 3.86 0.16 -0.66 7.02 3.58 -1.98 -1.00 116.42 127.40 3h77 h ASP 30 Ca -0.37 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 3h77 h ASP 30 Cb 1.19 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.34 3h77 h ASP 30 CO 0.50 0.05 0.35 -0.33 -2.88 0.00 0.00 179.24 176.92 3h77 h GLU 31 N 0.36 0.93 -0.12 0.28 3.07 -1.99 0.52 114.58 117.63 3h77 h GLU 31 Ca 0.40 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3h77 h GLU 31 Cb 0.63 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3h77 h GLU 31 CO -0.44 0.71 0.06 0.35 -1.40 0.00 0.00 179.01 178.30 3h77 h PHE 32 N 0.90 0.16 -0.03 4.33 3.57 -1.84 -1.67 116.94 122.37 3h77 h PHE 32 Ca 0.23 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3h77 h PHE 32 Cb 0.06 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 3h77 h PHE 32 CO -0.00 0.20 0.01 0.82 -2.23 0.00 0.00 178.31 177.10 3h77 h ILE 33 N 0.08 0.99 -0.15 1.41 2.04 -0.74 -0.67 117.51 120.48 3h77 h ILE 33 Ca 0.04 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.93 3h77 h ILE 33 Cb 0.09 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3h77 h ILE 33 CO -0.01 0.00 -0.05 0.58 0.00 0.00 0.00 178.15 178.68 3h77 h VAL 34 N 0.02 0.83 -0.48 1.67 2.07 -0.86 -0.04 116.25 119.45 3h77 h VAL 34 Ca 0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 3h77 h VAL 34 Cb 0.01 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3h77 h VAL 34 CO -0.01 0.00 0.04 -0.08 0.02 0.00 0.00 177.57 177.54 3h77 h GLU 35 N -0.01 0.82 0.03 1.57 4.81 -1.01 -0.19 114.58 120.60 3h77 h GLU 35 Ca 0.08 -0.24 -0.23 0.00 -0.13 0.00 0.00 59.36 58.83 3h77 h GLU 35 Cb 0.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3h77 h GLU 35 CO -0.16 0.84 -1.12 0.00 -0.73 0.00 0.00 179.01 177.84 3h77 h ARG 36 N 0.69 0.06 0.00 1.92 -0.00 -1.05 -3.41 114.38 112.58 3h77 h ARG 36 Ca 0.14 -0.11 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 3h77 h ARG 36 Cb 0.45 0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.46 3h77 h ARG 36 CO 0.02 1.01 -0.78 0.25 0.00 0.00 0.00 179.97 180.47 3h77 n THR 37 N -3.37 0.00 -0.52 2.04 -2.24 -0.04 -4.75 114.28 105.40 3h77 n THR 37 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3h77 n THR 37 Cb 0.97 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3h77 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h77 n GLY 38 N 2.24 1.77 3.74 3.38 0.00 -0.08 -1.13 105.19 115.10 3h77 n GLY 38 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3h77 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h77 s VAL 39 N -3.35 3.49 -0.12 1.61 1.01 -1.26 -4.39 120.40 117.40 3h77 s VAL 39 Ca 0.00 1.23 -0.04 0.00 0.00 0.00 0.00 61.98 63.17 3h77 s VAL 39 Cb 0.00 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 3h77 s VAL 39 CO 0.00 0.18 -0.14 0.54 0.00 0.00 0.00 175.10 175.68 3h77 n ARG 40 N 2.67 0.26 -4.18 2.72 5.12 0.79 -4.24 116.66 119.80 3h77 n ARG 40 Ca 0.05 0.10 -0.11 0.00 -1.93 0.00 0.00 57.85 55.96 3h77 n ARG 40 Cb 0.44 -1.01 -0.10 0.00 -1.16 0.00 0.00 32.46 30.63 3h77 n ARG 40 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3h77 s THR 41 N -2.22 0.52 0.24 0.55 -4.23 -0.75 -2.46 115.64 107.29 3h77 s THR 41 Ca -0.16 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 3h77 s THR 41 Cb 0.06 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 3h77 s THR 41 CO 0.23 -0.66 0.18 -0.13 -0.54 0.00 0.00 174.62 173.69 3h77 s ARG 42 N -3.91 1.36 -0.11 3.99 3.00 -0.41 -2.61 118.95 120.26 3h77 s ARG 42 Ca 0.18 -1.74 0.03 0.00 0.00 0.00 0.00 55.73 54.21 3h77 s ARG 42 Cb 0.06 0.29 0.00 0.00 0.00 0.00 0.00 34.95 35.30 3h77 s ARG 42 CO -0.01 -0.47 -0.23 0.71 0.00 0.00 0.00 175.30 175.31 3h77 s TYR 43 N -3.95 2.60 -0.02 -0.53 2.02 -1.26 0.57 117.35 116.78 3h77 s TYR 43 Ca 0.39 -1.09 0.07 0.00 -0.37 0.00 0.00 57.07 56.07 3h77 s TYR 43 Cb 0.06 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3h77 s TYR 43 CO 0.16 -0.45 -0.22 -1.01 -1.57 0.00 0.00 175.55 172.46 3h77 s HIS 44 N 0.45 2.03 0.92 2.71 3.76 -0.60 -1.35 115.29 123.21 3h77 s HIS 44 Ca -0.16 -0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 54.23 3h77 s HIS 44 Cb -0.17 -1.31 0.14 0.00 1.11 0.00 0.00 32.58 32.35 3h77 s HIS 44 CO 0.06 -0.06 1.09 0.14 -0.85 0.00 0.00 174.74 175.13 3h77 s VAL 45 N -0.47 2.55 0.55 -0.90 -7.23 -1.26 -4.02 120.40 109.62 3h77 s VAL 45 Ca 0.07 0.18 -0.16 0.00 -1.81 0.00 0.00 61.98 60.26 3h77 s VAL 45 Cb -0.09 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 3h77 s VAL 45 CO -0.00 -0.23 1.01 -1.61 -0.31 0.00 0.00 175.10 173.95 3h77 s GLU 46 N -4.79 3.72 0.37 4.82 0.41 -1.26 -4.98 118.70 116.99 3h77 s GLU 46 Ca 0.64 1.00 0.17 0.00 -0.41 0.00 0.00 54.97 56.37 3h77 s GLU 46 Cb -0.20 -2.10 1.07 0.00 -1.78 0.00 0.00 34.13 31.12 3h77 s GLU 46 CO 0.58 -0.47 1.74 -1.35 -0.49 0.00 0.00 175.26 175.27 3h77 h PRO 47 N 0.62 0.40 -0.00 0.39 0.11 -2.04 -1.15 132.00 130.32 3h77 h PRO 47 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h77 h PRO 47 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3h77 h PRO 47 CO 0.60 0.27 -0.06 0.39 -0.21 0.00 0.00 178.00 178.98 3h77 n GLU 48 N -4.74 0.40 -3.55 1.05 4.71 -1.26 -4.85 120.64 112.41 3h77 n GLU 48 Ca 0.27 -0.07 -0.37 0.00 -0.01 0.00 0.00 57.16 56.98 3h77 n GLU 48 Cb 0.90 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.77 3h77 n GLU 48 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3h77 s GLN 49 N -2.64 3.97 0.49 3.49 -0.21 -0.44 -5.09 119.66 119.23 3h77 s GLN 49 Ca 0.25 0.26 0.06 0.00 0.02 0.00 0.00 55.36 55.95 3h77 s GLN 49 Cb 0.20 -3.29 0.01 0.00 1.00 0.00 0.00 33.01 30.93 3h77 s GLN 49 CO 0.49 0.54 0.36 0.00 -2.12 0.00 0.00 175.29 174.57 3h77 s ALA 50 N -0.53 4.22 0.48 6.09 0.00 -1.26 -4.81 121.76 125.94 3h77 s ALA 50 Ca 0.21 -1.54 0.24 0.00 0.00 0.00 0.00 51.96 50.87 3h77 s ALA 50 Cb -0.15 -0.74 1.42 0.00 0.00 0.00 0.00 23.12 23.65 3h77 s ALA 50 CO 0.09 -0.35 2.11 -0.24 0.00 0.00 0.00 175.76 177.37 3h77 h VAL 51 N 0.92 0.74 -0.51 0.00 3.04 -1.90 -1.68 116.25 116.85 3h77 h VAL 51 Ca -0.39 -0.36 0.09 0.00 -1.01 0.00 0.00 66.70 65.03 3h77 h VAL 51 Cb 1.29 1.21 -0.03 0.00 -2.01 0.00 0.00 31.29 31.75 3h77 h VAL 51 CO 0.59 0.09 0.35 0.77 -1.01 0.00 0.00 177.57 178.36 3h77 h SER 52 N 0.00 0.30 0.02 3.17 4.64 -1.95 -0.57 113.55 119.16 3h77 h SER 52 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h77 h SER 52 Cb 0.21 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3h77 h SER 52 CO 0.01 0.19 -0.01 0.00 -0.87 0.00 0.00 176.83 176.15 3h77 h ALA 53 N 1.74 1.58 0.07 5.18 0.00 -1.70 -1.56 119.26 124.57 3h77 h ALA 53 Ca 0.23 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.77 3h77 h ALA 53 Cb 0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3h77 h ALA 53 CO -0.06 0.01 -2.06 1.28 0.00 0.00 0.00 179.25 178.43 3h77 n LEU 54 N -3.93 2.59 -0.20 0.00 4.32 -0.39 -4.45 117.00 114.93 3h77 n LEU 54 Ca -0.03 0.16 -0.05 0.00 -0.02 0.00 0.00 56.01 56.07 3h77 n LEU 54 Cb 0.09 -1.04 0.11 0.00 -1.62 0.00 0.00 43.42 40.97 3h77 n LEU 54 CO 0.29 0.79 0.95 0.24 -1.22 0.00 0.00 177.39 178.44 3h77 h MET 55 N -0.14 1.00 0.60 3.23 2.86 -0.92 -2.70 114.93 118.85 3h77 h MET 55 Ca -0.47 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 56.91 3h77 h MET 55 Cb 1.89 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 33.42 3h77 h MET 55 CO -0.02 0.89 -0.29 0.28 1.06 0.00 0.00 176.91 178.83 3h77 h VAL 56 N 0.95 0.36 -0.78 -2.22 2.07 -1.52 -0.26 116.25 114.86 3h77 h VAL 56 Ca 0.20 -0.19 0.10 0.00 0.82 0.00 0.00 66.70 67.63 3h77 h VAL 56 Cb 0.35 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 3h77 h VAL 56 CO 0.00 0.03 0.42 -0.65 0.02 0.00 0.00 177.57 177.39 3h77 h PRO 57 N -0.93 0.68 -0.33 1.57 0.11 -1.78 -0.33 132.00 130.99 3h77 h PRO 57 Ca -0.08 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 3h77 h PRO 57 Cb 0.66 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 3h77 h PRO 57 CO 0.13 0.45 0.20 0.00 -0.21 0.00 0.00 178.00 178.57 3h77 h ALA 58 N 1.45 0.42 -0.38 -0.75 0.00 -1.31 -1.83 119.26 116.86 3h77 h ALA 58 Ca 0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3h77 h ALA 58 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3h77 h ALA 58 CO -0.27 -0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.03 3h77 h ALA 59 N 1.08 0.50 -0.65 0.00 0.00 -0.65 -2.32 119.26 117.21 3h77 h ALA 59 Ca 0.12 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3h77 h ALA 59 Cb 0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 3h77 h ALA 59 CO -0.02 0.13 0.28 0.00 0.00 0.00 0.00 179.25 179.64 3h77 h ARG 60 N 0.47 0.47 -0.73 0.00 3.08 -0.93 -0.85 114.38 115.90 3h77 h ARG 60 Ca 0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3h77 h ARG 60 Cb 0.24 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3h77 h ARG 60 CO -0.01 0.31 0.42 0.37 -1.07 0.00 0.00 179.97 180.00 3h77 h GLN 61 N 0.49 1.00 -0.44 0.04 4.15 -1.19 0.08 115.11 119.23 3h77 h GLN 61 Ca 0.33 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.58 3h77 h GLN 61 Cb 0.38 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3h77 h GLN 61 CO -0.29 0.72 0.03 0.00 -1.93 0.00 0.00 178.83 177.36 3h77 h ALA 62 N 1.22 0.58 -0.20 3.38 0.00 -0.91 -0.00 119.26 123.33 3h77 h ALA 62 Ca 0.26 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h77 h ALA 62 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3h77 h ALA 62 CO -0.05 0.35 0.11 0.82 0.00 0.00 0.00 179.25 180.48 3h77 h ILE 63 N 0.60 1.10 -0.57 0.00 2.04 -0.92 -1.87 117.51 117.89 3h77 h ILE 63 Ca 0.13 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 3h77 h ILE 63 Cb 0.45 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3h77 h ILE 63 CO 0.02 0.09 0.05 1.05 0.00 0.00 0.00 178.15 179.37 3h77 h GLU 64 N 0.23 0.93 0.00 2.37 4.11 -0.90 -2.12 114.58 119.21 3h77 h GLU 64 Ca 0.07 -0.25 -0.04 0.00 0.07 0.00 0.00 59.36 59.22 3h77 h GLU 64 Cb 0.05 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3h77 h GLU 64 CO -0.01 0.89 -0.19 0.00 0.07 0.00 0.00 179.01 179.76 3h77 h ALA 65 N 1.18 1.28 0.00 1.06 0.00 -0.80 -1.36 119.26 120.62 3h77 h ALA 65 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h77 h ALA 65 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3h77 h ALA 65 CO 0.02 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3h77 n ALA 66 N -2.32 2.52 -1.13 0.00 0.00 -0.72 -4.62 120.51 114.24 3h77 n ALA 66 Ca -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 3h77 n ALA 66 Cb 0.31 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 3h77 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h77 n GLY 67 N 1.15 0.72 3.89 0.00 0.00 -0.51 -4.91 105.19 105.53 3h77 n GLY 67 Ca 0.17 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 3h77 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h77 s LEU 68 N -1.01 3.12 0.20 0.99 1.43 -0.85 -5.04 118.68 117.52 3h77 s LEU 68 Ca 0.00 -0.95 0.10 0.00 -1.03 0.00 0.00 54.13 52.25 3h77 s LEU 68 Cb 0.00 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3h77 s LEU 68 CO 0.00 -0.85 -0.11 -0.76 0.23 0.00 0.00 176.35 174.86 3h77 s LEU 69 N -4.21 2.89 0.42 1.79 1.43 -1.26 -4.29 118.68 115.45 3h77 s LEU 69 Ca 0.44 -0.67 0.21 0.00 -1.03 0.00 0.00 54.13 53.08 3h77 s LEU 69 Cb -0.02 -1.54 1.16 0.00 0.03 0.00 0.00 46.19 45.81 3h77 s LEU 69 CO 0.26 0.09 1.80 -0.65 0.23 0.00 0.00 176.35 178.08 3h77 h PRO 70 N 2.75 0.33 0.00 1.29 0.11 -1.88 0.28 132.00 134.88 3h77 h PRO 70 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h77 h PRO 70 Cb 1.22 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3h77 h PRO 70 CO 0.55 0.22 -0.00 1.05 -0.21 0.00 0.00 178.00 179.61 3h77 h GLU 71 N 0.34 0.00 0.00 1.05 4.11 -1.92 -2.40 114.58 115.77 3h77 h GLU 71 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 3h77 h GLU 71 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 3h77 h GLU 71 CO -0.23 0.00 0.00 -0.44 0.07 0.00 0.00 179.01 178.41 3h77 h ASP 72 N 0.00 0.00 -3.27 3.06 3.32 -1.34 -3.45 116.42 114.74 3h77 h ASP 72 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3h77 h ASP 72 Cb 0.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.60 3h77 h ASP 72 CO 0.00 0.00 0.58 -0.63 -1.72 0.00 0.00 179.24 177.47 3h77 s ILE 73 N -3.18 3.80 -0.04 0.35 -1.09 -0.90 -4.49 121.20 115.65 3h77 s ILE 73 Ca 0.08 1.36 0.18 0.00 -2.23 0.00 0.00 60.65 60.04 3h77 s ILE 73 Cb 0.09 -3.87 -0.28 0.00 -1.58 0.00 0.00 42.46 36.82 3h77 s ILE 73 CO 0.62 0.15 0.37 0.47 -1.23 0.00 0.00 174.94 175.32 3h77 n ASP 74 N 3.43 0.84 -3.71 3.58 8.00 -0.07 -4.80 116.55 123.81 3h77 n ASP 74 Ca 0.08 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.46 3h77 n ASP 74 Cb 0.45 1.76 -0.10 0.00 -0.02 0.00 0.00 41.12 43.21 3h77 n ASP 74 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3h77 s LEU 75 N -4.34 0.09 -0.15 0.64 2.96 -1.21 -4.24 118.68 112.41 3h77 s LEU 75 Ca -0.07 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 3h77 s LEU 75 Cb 0.11 1.53 0.00 0.00 0.50 0.00 0.00 46.19 48.33 3h77 s LEU 75 CO 0.75 -0.17 -0.18 -0.22 -1.32 0.00 0.00 176.35 175.21 3h77 s LEU 76 N 0.70 2.35 -0.13 -0.68 2.96 -1.02 -0.84 118.68 122.02 3h77 s LEU 76 Ca -0.04 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 3h77 s LEU 76 Cb -0.05 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.12 3h77 s LEU 76 CO -0.05 0.08 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.09 3h77 s LEU 77 N 0.83 2.21 -0.06 -0.68 1.43 -0.13 -1.49 118.68 120.79 3h77 s LEU 77 Ca -0.06 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 3h77 s LEU 77 Cb -0.15 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3h77 s LEU 77 CO -0.01 0.12 -0.18 0.68 0.23 0.00 0.00 176.35 177.19 3h77 s VAL 78 N 0.59 1.53 -0.15 -1.59 -7.23 -0.34 -1.01 120.40 112.20 3h77 s VAL 78 Ca -0.12 -0.75 -0.01 0.00 -1.81 0.00 0.00 61.98 59.30 3h77 s VAL 78 Cb -0.16 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.43 3h77 s VAL 78 CO 0.03 0.44 -0.12 0.21 -0.31 0.00 0.00 175.10 175.36 3h77 s ASN 79 N 0.23 4.03 0.07 4.85 3.84 0.18 -0.21 114.94 127.93 3h77 s ASN 79 Ca -0.09 -0.35 -0.26 0.00 0.21 0.00 0.00 52.86 52.37 3h77 s ASN 79 Cb -0.14 -1.63 0.08 0.00 -0.55 0.00 0.00 41.25 39.01 3h77 s ASN 79 CO 0.04 0.13 0.67 0.28 -2.79 0.00 0.00 177.10 175.42 3h77 s THR 80 N 0.59 0.00 -0.07 -5.21 -1.32 -1.26 -2.29 115.64 106.08 3h77 s THR 80 Ca -0.07 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.52 3h77 s THR 80 Cb -0.15 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.00 3h77 s THR 80 CO 0.03 0.00 1.06 0.00 -2.21 0.00 0.00 174.62 173.50 3h77 n LEU 81 N 0.05 1.71 -2.85 9.08 -0.00 -1.26 -4.76 117.00 118.97 3h77 n LEU 81 Ca -0.17 -2.32 -0.18 0.00 -0.00 0.00 0.00 56.01 53.35 3h77 n LEU 81 Cb 0.62 -0.25 -0.01 0.00 -0.00 0.00 0.00 43.42 43.79 3h77 n LEU 81 CO 0.15 0.54 -0.07 -1.54 -0.00 0.00 0.00 177.39 176.48 3h77 n SER 82 N -0.92 2.22 -4.74 1.45 3.41 -1.26 -5.06 113.62 108.72 3h77 n SER 82 Ca 0.09 -3.12 -0.31 0.00 -0.26 0.00 0.00 58.87 55.27 3h77 n SER 82 Cb 0.57 -0.55 0.11 0.00 -0.26 0.00 0.00 64.21 64.07 3h77 n SER 82 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3h77 s PRO 83 N -3.01 2.00 0.25 4.33 0.04 -1.26 -4.44 135.00 132.91 3h77 s PRO 83 Ca 0.38 1.33 -0.04 0.00 0.04 0.00 0.00 61.00 62.70 3h77 s PRO 83 Cb 0.39 -1.86 0.48 0.00 0.04 0.00 0.00 34.50 33.55 3h77 s PRO 83 CO -0.06 -1.86 1.69 -0.44 0.04 0.00 0.00 177.00 176.37 3h77 h ASP 84 N -1.14 0.08 -4.43 6.66 5.19 -1.97 -3.44 116.42 117.37 3h77 h ASP 84 Ca -0.44 0.14 -0.36 0.00 -0.62 0.00 0.00 57.03 55.75 3h77 h ASP 84 Cb 1.25 0.17 -0.14 0.00 0.18 0.00 0.00 39.33 40.79 3h77 h ASP 84 CO 0.49 -0.01 -0.61 -1.00 -3.12 0.00 0.00 179.24 174.99 3h77 s HIS 85 N -6.03 1.56 -0.03 4.55 3.76 -1.26 -5.01 115.29 112.83 3h77 s HIS 85 Ca -0.13 -1.18 -0.24 0.00 -0.15 0.00 0.00 55.06 53.37 3h77 s HIS 85 Cb 0.21 -0.92 -0.22 0.00 1.11 0.00 0.00 32.58 32.76 3h77 s HIS 85 CO 0.76 -0.32 1.09 1.25 -0.85 0.00 0.00 174.74 176.67 3h77 h HIS 86 N 2.36 0.29 -3.10 1.40 2.76 -2.01 -3.47 115.15 113.39 3h77 h HIS 86 Ca -0.38 -0.14 -0.07 0.00 -2.20 0.00 0.00 60.37 57.57 3h77 h HIS 86 Cb 1.25 -0.04 -0.16 0.00 1.55 0.00 0.00 27.41 30.01 3h77 h HIS 86 CO 0.49 0.90 -0.11 0.16 -1.30 0.00 0.00 177.93 178.07 3h77 s ASP 87 N -6.29 -0.27 0.86 3.26 1.47 -1.26 -4.83 116.67 109.62 3h77 s ASP 87 Ca -0.15 -0.06 -0.03 0.00 1.18 0.00 0.00 52.55 53.49 3h77 s ASP 87 Cb 0.02 0.43 0.05 0.00 -0.34 0.00 0.00 42.92 43.07 3h77 s ASP 87 CO 0.75 -0.69 0.29 -0.81 0.68 0.00 0.00 175.17 175.39 3h77 n PRO 88 N 0.40 -0.11 -1.33 2.11 -0.04 -1.26 -5.11 135.00 129.67 3h77 n PRO 88 Ca -0.18 -0.52 -0.36 0.00 -0.04 0.00 0.00 63.50 62.40 3h77 n PRO 88 Cb 0.60 -0.27 0.08 0.00 -0.04 0.00 0.00 33.50 33.87 3h77 n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3h77 n SER 89 N -3.14 -0.13 0.04 3.54 3.41 -1.26 -4.80 113.62 111.28 3h77 n SER 89 Ca 0.04 0.65 0.01 0.00 -0.26 0.00 0.00 58.87 59.30 3h77 n SER 89 Cb 0.13 -1.34 0.33 0.00 -0.26 0.00 0.00 64.21 63.08 3h77 n SER 89 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3h77 h GLN 90 N -0.27 0.43 -0.49 4.33 5.75 -1.94 -2.38 115.11 120.55 3h77 h GLN 90 Ca -0.47 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 57.96 3h77 h GLN 90 Cb 1.34 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.80 3h77 h GLN 90 CO 0.45 0.49 0.29 0.00 -2.65 0.00 0.00 178.83 177.42 3h77 h ALA 91 N 1.55 0.63 -0.62 3.38 0.00 -1.90 -1.31 119.26 120.98 3h77 h ALA 91 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h77 h ALA 91 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3h77 h ALA 91 CO 0.01 -0.02 0.40 0.00 0.00 0.00 0.00 179.25 179.65 3h77 h LEU 93 N 0.81 0.36 0.00 0.00 5.85 -1.03 -3.05 115.31 118.26 3h77 h LEU 93 Ca 0.23 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3h77 h LEU 93 Cb -0.07 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3h77 h LEU 93 CO -0.06 0.26 -0.24 0.16 -0.34 0.00 0.00 178.44 178.22 3h77 h ILE 94 N 0.46 0.00 -0.02 4.05 3.07 -1.07 -3.38 117.51 120.63 3h77 h ILE 94 Ca 0.16 -0.53 0.03 0.00 1.55 0.00 0.00 64.86 66.08 3h77 h ILE 94 Cb 0.03 1.37 -0.05 0.00 -0.27 0.00 0.00 36.82 37.89 3h77 h ILE 94 CO -0.09 0.00 -0.34 -0.61 -1.05 0.00 0.00 178.15 176.07 3h77 h GLN 95 N 0.00 -0.46 -0.18 0.16 4.15 -1.18 -0.55 115.11 117.06 3h77 h GLN 95 Ca 0.00 0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 3h77 h GLN 95 Cb 0.76 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 3h77 h GLN 95 CO 0.00 -0.31 -0.20 -1.00 -1.93 0.00 0.00 178.83 175.40 3h77 h PRO 96 N -0.48 0.30 -0.38 -2.39 0.13 -1.75 -2.48 132.00 124.95 3h77 h PRO 96 Ca 0.06 -0.09 0.01 0.00 -0.87 0.00 0.00 66.00 65.11 3h77 h PRO 96 Cb 0.58 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 3h77 h PRO 96 CO -0.29 0.49 0.26 -0.07 -0.23 0.00 0.00 178.00 178.16 3h77 h LEU 97 N 0.28 0.43 0.00 1.56 3.38 -1.58 -1.94 115.31 117.44 3h77 h LEU 97 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h77 h LEU 97 Cb 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3h77 h LEU 97 CO 0.03 0.31 -0.34 0.18 0.09 0.00 0.00 178.44 178.72 3h77 n LEU 98 N -4.48 0.36 -1.03 1.67 4.77 -0.28 -4.94 117.00 113.06 3h77 n LEU 98 Ca 0.03 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 3h77 n LEU 98 Cb 0.07 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 3h77 n LEU 98 CO 0.35 0.07 -0.12 0.61 -1.33 0.00 0.00 177.39 176.97 3h77 n GLY 99 N 1.49 0.14 3.77 -0.72 0.00 -0.73 -4.78 105.19 104.36 3h77 n GLY 99 Ca 0.06 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 3h77 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h77 s LEU 100 N -2.64 3.16 1.19 0.99 1.43 -1.02 -4.47 118.68 117.32 3h77 s LEU 100 Ca 0.00 1.87 -0.18 0.00 -1.03 0.00 0.00 54.13 54.78 3h77 s LEU 100 Cb 0.00 -4.53 0.28 0.00 0.03 0.00 0.00 46.19 41.97 3h77 s LEU 100 CO 0.00 -1.86 1.10 -0.13 0.23 0.00 0.00 176.35 175.69 3h77 s ARG 101 N -4.64 -1.10 -1.43 1.70 0.52 -1.26 -4.85 118.95 107.90 3h77 s ARG 101 Ca 0.63 0.02 -0.08 0.00 -0.52 0.00 0.00 55.73 55.78 3h77 s ARG 101 Cb -0.18 -1.60 0.05 0.00 0.52 0.00 0.00 34.95 33.74 3h77 s ARG 101 CO 0.51 -3.65 2.53 0.72 0.02 0.00 0.00 175.30 175.43 3h77 n HIS 102 N -4.73 2.61 -2.43 -0.53 8.25 -1.26 -4.91 115.22 112.22 3h77 n HIS 102 Ca 0.12 -2.92 -0.26 0.00 -0.26 0.00 0.00 57.72 54.40 3h77 n HIS 102 Cb 0.59 -2.09 0.04 0.00 1.12 0.00 0.00 29.99 29.64 3h77 n HIS 102 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3h77 s ILE 103 N 0.25 3.42 0.27 1.59 -4.36 -1.26 -5.03 121.20 116.08 3h77 s ILE 103 Ca 0.58 -0.11 -0.30 0.00 -0.26 0.00 0.00 60.65 60.55 3h77 s ILE 103 Cb 0.17 -3.36 -0.11 0.00 1.25 0.00 0.00 42.46 40.41 3h77 s ILE 103 CO -0.08 -0.36 1.54 -2.16 0.24 0.00 0.00 174.94 174.12 3h77 s PRO 104 N -4.98 4.18 -0.01 0.37 0.04 -1.26 -4.96 135.00 128.38 3h77 s PRO 104 Ca 0.55 2.47 0.01 0.00 0.04 0.00 0.00 61.00 64.06 3h77 s PRO 104 Cb -0.10 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.38 3h77 s PRO 104 CO 0.44 -0.55 -0.03 0.14 0.04 0.00 0.00 177.00 177.04 3h77 s VAL 105 N 0.02 0.30 0.05 -0.36 -7.23 -1.26 -2.43 120.40 109.49 3h77 s VAL 105 Ca 0.62 -0.11 -0.17 0.00 -1.81 0.00 0.00 61.98 60.51 3h77 s VAL 105 Cb -0.45 -0.29 0.03 0.00 0.56 0.00 0.00 36.38 36.22 3h77 s VAL 105 CO 0.46 0.11 0.40 -1.48 -0.31 0.00 0.00 175.10 174.28 3h77 s LEU 106 N 0.24 0.46 0.34 1.32 2.34 -0.56 -4.73 118.68 118.10 3h77 s LEU 106 Ca -0.02 -0.07 -0.08 0.00 0.06 0.00 0.00 54.13 54.02 3h77 s LEU 106 Cb -0.05 1.70 -0.06 0.00 -0.56 0.00 0.00 46.19 47.22 3h77 s LEU 106 CO -0.00 -0.68 0.65 -1.81 -1.06 0.00 0.00 176.35 173.44 3h77 s ASP 107 N -2.12 6.48 0.33 1.48 1.11 -1.26 -1.20 116.67 121.49 3h77 s ASP 107 Ca -0.04 0.91 0.10 0.00 0.18 0.00 0.00 52.55 53.70 3h77 s ASP 107 Cb -0.00 -2.23 -0.06 0.00 1.07 0.00 0.00 42.92 41.70 3h77 s ASP 107 CO -0.04 -0.29 -0.11 0.27 1.18 0.00 0.00 175.17 176.18 3h77 s ILE 108 N -2.21 2.27 -0.24 0.77 -4.36 0.71 -4.83 121.20 113.31 3h77 s ILE 108 Ca 0.47 -2.24 -0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3h77 s ILE 108 Cb -0.11 -2.58 0.07 0.00 1.25 0.00 0.00 42.46 41.10 3h77 s ILE 108 CO 0.30 -0.24 0.00 -0.13 0.24 0.00 0.00 174.94 175.12 3h77 s ARG 109 N -3.59 1.19 -0.02 0.37 1.81 -1.26 -4.00 118.95 113.44 3h77 s ARG 109 Ca 0.32 -0.91 0.03 0.00 -1.72 0.00 0.00 55.73 53.45 3h77 s ARG 109 Cb 0.01 -2.39 0.05 0.00 -0.45 0.00 0.00 34.95 32.17 3h77 s ARG 109 CO 0.16 -0.70 0.85 0.00 -0.68 0.00 0.00 175.30 174.93 3h77 n ALA 110 N 4.78 1.70 0.00 2.13 0.00 -1.26 -5.08 120.51 122.78 3h77 n ALA 110 Ca -0.08 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.27 3h77 n ALA 110 Cb 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3h77 n ALA 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h77 n GLN 111 N -0.31 0.00 -0.00 0.00 3.00 -1.26 -3.47 117.38 115.34 3h77 n GLN 111 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3h77 n GLN 111 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.79 3h77 n GLN 111 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3h77 n SER 113 N 0.00 -0.01 -0.23 1.08 7.64 -1.26 -4.41 113.62 116.43 3h77 n SER 113 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 3h77 n SER 113 Cb 0.00 -0.30 0.16 0.00 -1.01 0.00 0.00 64.21 63.06 3h77 n SER 113 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3h77 h GLY 114 N 0.00 0.97 0.99 0.23 0.00 -1.86 -1.22 103.07 102.19 3h77 h GLY 114 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3h77 h GLY 114 CO 0.00 -0.14 -0.01 -2.00 0.00 0.00 0.00 176.54 174.39 3h77 h LEU 115 N 0.32 -0.03 -0.73 3.11 5.85 -1.86 0.63 115.31 122.60 3h77 h LEU 115 Ca 0.38 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.96 3h77 h LEU 115 Cb 0.60 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3h77 h LEU 115 CO -0.44 -0.01 -0.56 -0.07 -0.34 0.00 0.00 178.44 177.01 3h77 h LEU 116 N -0.04 0.24 -0.31 2.25 3.38 -1.83 0.17 115.31 119.17 3h77 h LEU 116 Ca -0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3h77 h LEU 116 Cb 0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3h77 h LEU 116 CO 0.01 0.75 0.07 1.88 0.09 0.00 0.00 178.44 181.23 3h77 h TYR 117 N 0.16 0.53 -0.76 1.13 0.05 -1.11 -0.76 116.97 116.22 3h77 h TYR 117 Ca -0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 3h77 h TYR 117 Cb 1.04 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.60 3h77 h TYR 117 CO 0.02 0.57 0.38 0.78 -1.05 0.00 0.00 178.16 178.86 3h77 h GLY 118 N 0.34 1.17 1.01 3.88 0.00 -0.61 -1.92 103.07 106.94 3h77 h GLY 118 Ca 0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3h77 h GLY 118 CO 0.00 0.54 0.34 -2.00 0.00 0.00 0.00 176.54 175.42 3h77 h LEU 119 N 1.07 0.91 -0.66 3.11 5.85 -0.53 0.15 115.31 125.21 3h77 h LEU 119 Ca 0.26 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3h77 h LEU 119 Cb 0.10 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3h77 h LEU 119 CO -0.04 0.79 0.38 -0.61 -0.34 0.00 0.00 178.44 178.62 3h77 h GLN 120 N 0.97 0.91 -0.44 1.25 5.75 -0.96 0.50 115.11 123.09 3h77 h GLN 120 Ca 0.24 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3h77 h GLN 120 Cb 0.11 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 3h77 h GLN 120 CO -0.03 0.67 0.23 0.52 -2.65 0.00 0.00 178.83 177.57 3h77 h MET 121 N 0.90 0.63 -0.40 1.69 2.86 -0.89 -1.86 114.93 117.86 3h77 h MET 121 Ca 0.24 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3h77 h MET 121 Cb 0.00 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3h77 h MET 121 CO -0.04 0.52 0.23 0.00 1.06 0.00 0.00 176.91 178.67 3h77 h ALA 122 N 1.08 0.51 -0.38 6.32 0.00 -0.30 -2.21 119.26 124.28 3h77 h ALA 122 Ca 0.15 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3h77 h ALA 122 Cb 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3h77 h ALA 122 CO -0.02 0.02 -0.01 -0.09 0.00 0.00 0.00 179.25 179.15 3h77 h ARG 123 N 0.52 0.08 -0.35 0.00 2.43 0.17 -0.58 114.38 116.65 3h77 h ARG 123 Ca 0.14 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3h77 h ARG 123 Cb 0.04 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3h77 h ARG 123 CO -0.02 0.06 0.21 0.78 -1.51 0.00 0.00 179.97 179.48 3h77 h GLY 124 N 0.09 0.48 1.02 2.80 0.00 -1.19 0.62 103.07 106.90 3h77 h GLY 124 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3h77 h GLY 124 CO -0.32 0.15 0.27 1.46 0.00 0.00 0.00 176.54 178.11 3h77 h GLN 125 N 0.43 1.03 -0.11 4.80 1.08 -0.84 -1.10 115.11 120.40 3h77 h GLN 125 Ca 0.13 -0.19 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 3h77 h GLN 125 Cb -0.02 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.24 3h77 h GLN 125 CO -0.05 0.85 -0.10 0.82 -0.95 0.00 0.00 178.83 179.40 3h77 h ILE 126 N 0.98 1.36 -0.16 2.54 2.04 -0.88 -0.07 117.51 123.31 3h77 h ILE 126 Ca 0.23 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 3h77 h ILE 126 Cb 0.21 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3h77 h ILE 126 CO -0.02 0.36 -0.14 -0.07 0.00 0.00 0.00 178.15 178.27 3h77 h LEU 127 N -0.15 0.25 0.00 1.44 3.38 -0.78 -1.78 115.31 117.67 3h77 h LEU 127 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h77 h LEU 127 Cb 0.61 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3h77 h LEU 127 CO 0.03 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3h77 n ALA 128 N -2.49 2.43 -1.16 1.53 0.00 -0.43 -4.92 120.51 115.48 3h77 n ALA 128 Ca -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 3h77 n ALA 128 Cb 0.28 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 3h77 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h77 n GLY 129 N 1.01 0.75 0.18 0.00 0.00 -0.67 -4.94 105.19 101.52 3h77 n GLY 129 Ca 0.15 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.44 3h77 n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h77 n LEU 130 N -0.56 1.30 -3.65 0.99 4.77 -0.07 -4.94 117.00 114.84 3h77 n LEU 130 Ca -0.05 -0.52 -0.14 0.00 -0.03 0.00 0.00 56.01 55.27 3h77 n LEU 130 Cb 0.17 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3h77 n LEU 130 CO 0.07 0.28 0.18 0.00 -1.33 0.00 0.00 177.39 176.60 3h77 s ALA 131 N -2.79 -1.10 -0.17 -1.18 0.00 -1.02 -4.95 121.76 110.55 3h77 s ALA 131 Ca 0.13 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.59 3h77 s ALA 131 Cb 0.17 0.28 -0.14 0.00 0.00 0.00 0.00 23.12 23.44 3h77 s ALA 131 CO 0.73 -0.43 -0.09 -2.13 0.00 0.00 0.00 175.76 173.84 3h77 n ARG 132 N 0.63 0.86 -4.12 0.00 0.63 -1.26 -4.11 116.66 109.28 3h77 n ARG 132 Ca -0.19 0.07 -0.21 0.00 -0.92 0.00 0.00 57.85 56.60 3h77 n ARG 132 Cb 0.59 -1.36 -0.17 0.00 0.45 0.00 0.00 32.46 31.98 3h77 n ARG 132 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3h77 s HIS 133 N -2.35 0.81 -0.08 -0.14 3.76 -1.26 -2.97 115.29 113.06 3h77 s HIS 133 Ca -0.19 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.50 3h77 s HIS 133 Cb 0.06 -0.73 0.01 0.00 1.11 0.00 0.00 32.58 33.02 3h77 s HIS 133 CO 0.47 -0.23 -0.16 0.08 -0.85 0.00 0.00 174.74 174.05 3h77 s VAL 134 N 1.08 1.41 -0.20 -0.90 1.01 0.10 -0.89 120.40 122.00 3h77 s VAL 134 Ca -0.08 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3h77 s VAL 134 Cb -0.14 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 3h77 s VAL 134 CO -0.01 0.42 0.11 -0.22 0.00 0.00 0.00 175.10 175.39 3h77 s LEU 135 N 0.61 4.02 -0.14 3.92 2.96 -0.02 0.17 118.68 130.20 3h77 s LEU 135 Ca -0.15 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3h77 s LEU 135 Cb -0.16 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.51 3h77 s LEU 135 CO 0.05 0.16 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.38 3h77 s VAL 136 N 0.48 1.70 -0.07 1.68 1.01 -0.09 -0.95 120.40 124.15 3h77 s VAL 136 Ca 0.06 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3h77 s VAL 136 Cb -0.12 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3h77 s VAL 136 CO -0.00 0.48 -0.15 -0.69 0.00 0.00 0.00 175.10 174.73 3h77 s VAL 137 N 1.20 1.38 -0.10 2.92 1.01 -0.18 -0.89 120.40 125.74 3h77 s VAL 137 Ca -0.00 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3h77 s VAL 137 Cb -0.14 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3h77 s VAL 137 CO -0.07 0.41 -0.20 0.00 0.00 0.00 0.00 175.10 175.24 3h77 s GLY 139 N 0.16 -0.21 -0.02 0.00 0.00 -0.97 -0.62 107.32 105.66 3h77 s GLY 139 Ca -0.11 0.63 -0.05 0.00 0.00 0.00 0.00 44.72 45.19 3h77 s GLY 139 CO 0.06 0.45 0.12 -0.54 0.00 0.00 0.00 173.10 173.20 3h77 s GLU 140 N -0.66 0.33 -0.47 2.90 0.41 -0.03 -4.47 118.70 116.70 3h77 s GLU 140 Ca -0.08 -0.18 0.03 0.00 -0.41 0.00 0.00 54.97 54.34 3h77 s GLU 140 Cb -0.04 0.14 0.13 0.00 -1.78 0.00 0.00 34.13 32.58 3h77 s GLU 140 CO 0.03 -0.07 0.22 0.08 -0.49 0.00 0.00 175.26 175.03 3h77 s VAL 141 N -0.80 2.14 -0.59 2.63 1.01 -1.26 -1.74 120.40 121.80 3h77 s VAL 141 Ca -0.09 -2.92 0.23 0.00 0.00 0.00 0.00 61.98 59.20 3h77 s VAL 141 Cb -0.05 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 3h77 s VAL 141 CO 0.01 -0.80 1.09 0.18 0.00 0.00 0.00 175.10 175.58 3h77 n LEU 142 N 3.43 0.63 0.27 3.92 4.77 -1.25 -3.90 117.00 124.87 3h77 n LEU 142 Ca 0.06 0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.21 3h77 n LEU 142 Cb 0.34 -0.11 0.73 0.00 -2.33 0.00 0.00 43.42 42.05 3h77 n LEU 142 CO 0.29 0.01 1.05 0.77 -1.33 0.00 0.00 177.39 178.18 3h77 h SER 143 N 0.00 0.00 0.15 -1.43 4.64 -1.85 0.95 113.55 116.00 3h77 h SER 143 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h77 h SER 143 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3h77 h SER 143 CO 0.00 0.04 -0.06 0.29 -0.87 0.00 0.00 176.83 176.23 3h77 n LYS 144 N -4.15 1.08 -1.17 4.77 5.02 -1.25 -3.77 118.16 118.69 3h77 n LYS 144 Ca -0.03 -0.43 -0.08 0.00 -2.02 0.00 0.00 58.31 55.76 3h77 n LYS 144 Cb 0.13 -1.49 0.14 0.00 -0.02 0.00 0.00 35.03 33.78 3h77 n LYS 144 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h77 n ARG 145 N -0.59 2.40 -3.45 1.97 1.74 0.32 -5.04 116.66 114.01 3h77 n ARG 145 Ca 0.18 -3.61 -0.37 0.00 -0.77 0.00 0.00 57.85 53.28 3h77 n ARG 145 Cb 0.27 -1.91 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 3h77 n ARG 145 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h77 s MET 146 N -3.39 4.18 -0.38 5.56 -1.94 -1.20 -4.71 119.30 117.42 3h77 s MET 146 Ca 0.45 0.30 -0.08 0.00 -1.71 0.00 0.00 55.69 54.65 3h77 s MET 146 Cb 0.39 -3.37 0.06 0.00 2.01 0.00 0.00 34.83 33.92 3h77 s MET 146 CO -0.02 0.34 0.18 0.34 -0.01 0.00 0.00 175.02 175.85 3h77 s ASP 147 N 0.10 5.50 0.00 3.03 2.15 -1.26 -4.97 116.67 121.21 3h77 s ASP 147 Ca 0.22 -1.31 0.29 0.00 0.43 0.00 0.00 52.55 52.18 3h77 s ASP 147 Cb -0.15 -1.93 1.32 0.00 -0.30 0.00 0.00 42.92 41.86 3h77 s ASP 147 CO 0.09 -0.43 1.90 0.00 -0.17 0.00 0.00 175.17 176.55 3h77 s SER 149 N -2.11 3.47 0.60 0.00 1.04 -1.26 -4.45 113.70 110.99 3h77 s SER 149 Ca 0.39 1.70 0.30 0.00 0.48 0.00 0.00 55.95 58.82 3h77 s SER 149 Cb 0.21 -2.35 1.74 0.00 0.10 0.00 0.00 66.02 65.72 3h77 s SER 149 CO 0.38 -2.67 2.15 0.44 0.98 0.00 0.00 173.24 174.52 3h77 h ASP 150 N -1.57 0.00 0.57 7.02 3.32 -1.96 0.59 116.42 124.39 3h77 h ASP 150 Ca -0.48 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 3h77 h ASP 150 Cb 1.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3h77 h ASP 150 CO 0.51 0.00 -0.30 -0.09 -1.72 0.00 0.00 179.24 177.64 3h77 h ARG 151 N 0.00 0.00 -0.00 3.56 2.43 -1.91 -3.20 114.38 115.26 3h77 h ARG 151 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3h77 h ARG 151 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3h77 h ARG 151 CO -0.00 0.30 -0.29 0.41 -1.51 0.00 0.00 179.97 178.87 3h77 n GLY 152 N -0.24 -0.01 0.37 2.80 0.00 -0.01 -4.77 105.19 103.33 3h77 n GLY 152 Ca -0.01 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.82 3h77 n GLY 152 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h77 h ARG 153 N 0.56 0.95 0.00 1.61 0.11 -0.98 -0.28 114.38 116.35 3h77 h ARG 153 Ca 0.00 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 3h77 h ARG 153 Cb 0.27 -0.21 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 3h77 h ARG 153 CO 0.00 0.63 -0.03 -0.91 0.10 0.00 0.00 179.97 179.76 3h77 h ASN 154 N 0.98 0.00 0.09 0.08 4.21 -1.86 -1.49 115.58 117.60 3h77 h ASN 154 Ca 0.48 0.00 -0.27 0.00 1.21 0.00 0.00 56.30 57.71 3h77 h ASN 154 Cb 0.46 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 3h77 h ASN 154 CO -0.24 0.03 -1.43 0.25 -1.29 0.00 0.00 177.43 174.75 3h77 h LEU 155 N 0.00 0.30 -1.60 1.61 5.85 -1.80 -3.41 115.31 116.26 3h77 h LEU 155 Ca -0.00 -0.81 -0.03 0.00 0.84 0.00 0.00 57.88 57.88 3h77 h LEU 155 Cb 0.78 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3h77 h LEU 155 CO 0.00 1.61 -0.02 0.28 -0.34 0.00 0.00 178.44 179.98 3h77 h SER 156 N -0.39 0.20 0.28 1.25 0.02 -0.77 -0.59 113.55 113.56 3h77 h SER 156 Ca -0.32 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3h77 h SER 156 Cb 1.70 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.18 3h77 h SER 156 CO 0.01 0.27 0.00 0.16 -1.14 0.00 0.00 176.83 176.13 3h77 h ILE 157 N 0.22 0.00 0.00 3.27 3.07 -1.50 -2.63 117.51 119.94 3h77 h ILE 157 Ca 0.05 -0.12 -0.11 0.00 1.55 0.00 0.00 64.86 66.23 3h77 h ILE 157 Cb 0.19 0.93 -0.02 0.00 -0.27 0.00 0.00 36.82 37.65 3h77 h ILE 157 CO 0.01 0.00 -1.32 0.18 -1.05 0.00 0.00 178.15 175.97 3h77 n LEU 158 N -2.72 0.80 -4.71 0.16 4.77 -0.23 -4.99 117.00 110.08 3h77 n LEU 158 Ca -0.01 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.89 3h77 n LEU 158 Cb 0.12 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3h77 n LEU 158 CO 0.18 0.03 0.86 -0.76 -1.33 0.00 0.00 177.39 176.37 3h77 s LEU 159 N -5.57 4.37 0.34 2.23 1.43 -1.00 -0.07 118.68 120.41 3h77 s LEU 159 Ca -0.02 1.95 0.03 0.00 -1.03 0.00 0.00 54.13 55.06 3h77 s LEU 159 Cb 0.09 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 3h77 s LEU 159 CO 0.81 -0.44 0.12 -0.83 0.23 0.00 0.00 176.35 176.23 3h77 s GLY 160 N 1.07 2.24 0.12 -3.19 0.00 -0.43 -4.75 107.32 102.38 3h77 s GLY 160 Ca 0.57 -1.65 0.09 0.00 0.00 0.00 0.00 44.72 43.74 3h77 s GLY 160 CO 0.29 -1.74 -0.18 0.99 0.00 0.00 0.00 173.10 172.46 3h77 s ASP 161 N -3.48 3.90 0.00 1.64 1.01 -0.46 -3.84 116.67 115.44 3h77 s ASP 161 Ca 0.32 -0.55 0.00 0.00 0.71 0.00 0.00 52.55 53.02 3h77 s ASP 161 Cb 0.05 -0.55 0.00 0.00 1.01 0.00 0.00 42.92 43.43 3h77 s ASP 161 CO 0.15 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.32 3h77 n GLY 162 N 0.81 1.26 2.98 0.21 0.00 -0.71 -4.54 105.19 105.19 3h77 n GLY 162 Ca -0.16 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 3h77 n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h77 s ALA 163 N -2.00 -0.20 0.03 4.61 0.00 -0.49 -0.85 121.76 122.87 3h77 s ALA 163 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.13 3h77 s ALA 163 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 3h77 s ALA 163 CO 0.00 -0.07 -0.15 0.20 0.00 0.00 0.00 175.76 175.74 3h77 s GLY 164 N -0.27 0.81 0.02 0.00 0.00 0.20 -0.97 107.32 107.12 3h77 s GLY 164 Ca -0.03 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3h77 s GLY 164 CO 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 173.10 172.28 3h77 s ALA 165 N -0.79 0.18 0.03 3.20 0.00 0.14 -0.73 121.76 123.79 3h77 s ALA 165 Ca 0.03 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3h77 s ALA 165 Cb -0.08 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 3h77 s ALA 165 CO 0.01 -0.12 -0.10 0.14 0.00 0.00 0.00 175.76 175.69 3h77 s VAL 166 N -1.30 0.75 -0.19 0.00 -7.23 -0.07 -0.95 120.40 111.42 3h77 s VAL 166 Ca -0.13 -0.84 -0.06 0.00 -1.81 0.00 0.00 61.98 59.14 3h77 s VAL 166 Cb -0.09 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 3h77 s VAL 166 CO -0.01 -0.10 0.03 -0.69 -0.31 0.00 0.00 175.10 174.03 3h77 s VAL 167 N -0.85 4.41 -0.12 1.32 1.01 0.69 -0.91 120.40 125.95 3h77 s VAL 167 Ca -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3h77 s VAL 167 Cb -0.07 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3h77 s VAL 167 CO 0.01 0.45 -0.02 -0.69 0.00 0.00 0.00 175.10 174.85 3h77 s VAL 168 N 0.59 4.10 0.11 2.92 1.01 0.13 -0.71 120.40 128.56 3h77 s VAL 168 Ca 0.01 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3h77 s VAL 168 Cb -0.13 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3h77 s VAL 168 CO 0.02 0.55 -0.08 -0.44 0.00 0.00 0.00 175.10 175.14 3h77 s SER 169 N -0.25 1.35 0.34 3.32 0.01 -0.40 -0.72 113.70 117.35 3h77 s SER 169 Ca 0.05 -0.98 -0.28 0.00 1.31 0.00 0.00 55.95 56.05 3h77 s SER 169 Cb -0.13 0.06 -0.13 0.00 0.21 0.00 0.00 66.02 66.03 3h77 s SER 169 CO 0.02 -0.40 1.18 0.00 0.41 0.00 0.00 173.24 174.45 3h77 n ALA 170 N -0.00 0.74 -2.58 1.44 0.00 -1.16 -0.52 120.51 118.42 3h77 n ALA 170 Ca -0.12 0.35 -0.27 0.00 0.00 0.00 0.00 53.44 53.40 3h77 n ALA 170 Cb 0.60 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.78 3h77 n ALA 170 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h77 s GLY 171 N -0.43 2.42 -0.01 0.00 0.00 -1.16 -4.57 107.32 103.57 3h77 s GLY 171 Ca 0.57 -2.24 0.10 0.00 0.00 0.00 0.00 44.72 43.16 3h77 s GLY 171 CO 0.61 -2.06 0.28 1.18 0.00 0.00 0.00 173.10 173.11 3h77 n GLU 172 N -0.97 1.34 -4.45 2.90 1.02 -1.26 -1.42 120.64 117.79 3h77 n GLU 172 Ca -0.05 -0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.73 3h77 n GLU 172 Cb 0.66 -1.16 -0.12 0.00 -0.02 0.00 0.00 31.44 30.80 3h77 n GLU 172 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3h77 s SER 173 N -2.79 3.90 0.01 1.62 0.15 -1.26 -4.07 113.70 111.25 3h77 s SER 173 Ca -0.01 -0.48 0.26 0.00 0.70 0.00 0.00 55.95 56.41 3h77 s SER 173 Cb 0.07 -0.60 0.67 0.00 -1.71 0.00 0.00 66.02 64.44 3h77 s SER 173 CO 0.41 0.21 1.53 0.18 1.20 0.00 0.00 173.24 176.78 3h77 n LEU 174 N 1.13 0.40 0.01 3.45 4.77 -1.26 -0.77 117.00 124.73 3h77 n LEU 174 Ca -0.16 0.14 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 3h77 n LEU 174 Cb 0.52 -0.31 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 3h77 n LEU 174 CO 0.28 0.08 -0.53 -0.62 -1.33 0.00 0.00 177.39 175.27 3h77 n GLU 175 N -1.55 0.55 -4.54 3.23 1.02 -1.26 -4.88 120.64 113.21 3h77 n GLU 175 Ca 0.06 -0.12 -0.27 0.00 -0.02 0.00 0.00 57.16 56.81 3h77 n GLU 175 Cb 0.34 -1.56 -0.08 0.00 -0.02 0.00 0.00 31.44 30.13 3h77 n GLU 175 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3h77 s ASP 176 N -4.39 2.94 0.00 1.62 1.47 -1.26 -4.86 116.67 112.19 3h77 s ASP 176 Ca -0.04 -1.71 0.00 0.00 1.18 0.00 0.00 52.55 51.97 3h77 s ASP 176 Cb 0.14 0.57 0.00 0.00 -0.34 0.00 0.00 42.92 43.29 3h77 s ASP 176 CO 0.88 -0.97 0.00 0.61 0.68 0.00 0.00 175.17 176.38 3h77 n GLY 177 N -0.96 -0.39 3.54 2.12 0.00 0.15 -4.46 105.19 105.18 3h77 n GLY 177 Ca -0.07 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 3h77 n GLY 177 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h77 s LEU 178 N 0.00 3.49 0.25 0.99 2.96 -0.02 -1.09 118.68 125.26 3h77 s LEU 178 Ca 0.00 -0.89 0.00 0.00 -0.22 0.00 0.00 54.13 53.02 3h77 s LEU 178 Cb 0.00 -2.54 0.30 0.00 0.50 0.00 0.00 46.19 44.45 3h77 s LEU 178 CO 0.00 -1.66 1.65 -0.07 -1.32 0.00 0.00 176.35 174.95 3h77 h LEU 179 N 12.65 0.54 -7.00 -0.68 4.07 -1.30 -3.42 115.31 120.17 3h77 h LEU 179 Ca -0.11 -0.21 0.11 0.00 0.08 0.00 0.00 57.88 57.75 3h77 h LEU 179 Cb 1.04 -0.15 -0.18 0.00 1.08 0.00 0.00 40.66 42.45 3h77 h LEU 179 CO 1.31 0.84 0.54 -0.62 -1.08 0.00 0.00 178.44 179.43 3h77 s ASP 180 N -6.83 -0.35 -0.25 -0.43 2.15 -1.16 -4.99 116.67 104.82 3h77 s ASP 180 Ca -0.07 0.15 -0.12 0.00 0.43 0.00 0.00 52.55 52.94 3h77 s ASP 180 Cb 0.13 0.33 0.09 0.00 -0.30 0.00 0.00 42.92 43.17 3h77 s ASP 180 CO 0.81 -0.48 0.58 -0.22 -0.17 0.00 0.00 175.17 175.69 3h77 s LEU 181 N -1.94 -0.73 -0.09 -1.34 2.96 -1.26 -1.54 118.68 114.74 3h77 s LEU 181 Ca 0.03 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.25 3h77 s LEU 181 Cb -0.01 1.97 0.02 0.00 0.50 0.00 0.00 46.19 48.68 3h77 s LEU 181 CO -0.05 -0.22 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.54 3h77 s ARG 182 N 1.95 1.50 0.32 1.98 0.52 -0.20 -5.00 118.95 120.02 3h77 s ARG 182 Ca -0.08 -0.29 0.09 0.00 -0.52 0.00 0.00 55.73 54.93 3h77 s ARG 182 Cb -0.08 -1.42 -0.05 0.00 0.52 0.00 0.00 34.95 33.92 3h77 s ARG 182 CO -0.17 -0.13 -0.02 -0.51 0.02 0.00 0.00 175.30 174.50 3h77 s LEU 183 N 1.21 2.96 0.35 2.53 1.43 -1.26 -1.12 118.68 124.78 3h77 s LEU 183 Ca -0.05 -0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 51.95 3h77 s LEU 183 Cb -0.14 -1.37 0.04 0.00 0.03 0.00 0.00 46.19 44.75 3h77 s LEU 183 CO -0.02 -0.17 0.73 -0.83 0.23 0.00 0.00 176.35 176.28 3h77 s GLY 184 N -3.69 0.39 -0.04 -3.19 0.00 -0.45 -4.95 107.32 95.39 3h77 s GLY 184 Ca 0.34 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 44.02 3h77 s GLY 184 CO 0.19 -0.35 0.82 0.00 0.00 0.00 0.00 173.10 173.76 3h77 s ALA 185 N -2.79 -1.81 -0.29 3.20 0.00 -1.26 -1.10 121.76 117.70 3h77 s ALA 185 Ca 0.16 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.35 3h77 s ALA 185 Cb -0.05 -0.01 0.15 0.00 0.00 0.00 0.00 23.12 23.22 3h77 s ALA 185 CO 0.11 -0.48 0.35 0.34 0.00 0.00 0.00 175.76 176.09 3h77 s ASP 186 N -1.68 1.01 0.00 0.00 -1.08 -0.19 -4.97 116.67 109.76 3h77 s ASP 186 Ca -0.03 -0.58 0.20 0.00 -0.52 0.00 0.00 52.55 51.62 3h77 s ASP 186 Cb -0.01 0.82 1.08 0.00 -1.46 0.00 0.00 42.92 43.35 3h77 s ASP 186 CO -0.00 -0.37 1.60 0.61 0.52 0.00 0.00 175.17 177.52 3h77 n GLY 187 N 5.32 -0.79 0.33 2.66 0.00 -1.25 -1.44 105.19 110.01 3h77 n GLY 187 Ca -0.01 -0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.11 3h77 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h77 h ASN 188 N 0.00 0.00 -0.58 1.61 2.35 -1.96 -1.91 115.58 115.09 3h77 h ASN 188 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3h77 h ASN 188 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3h77 h ASN 188 CO 0.00 0.00 0.01 -1.22 -1.65 0.00 0.00 177.43 174.57 3h77 n TYR 189 N -3.21 2.12 -0.31 1.19 4.01 -0.84 -4.63 117.16 115.50 3h77 n TYR 189 Ca -0.02 -0.75 0.15 0.00 -0.16 0.00 0.00 57.90 57.11 3h77 n TYR 189 Cb 0.14 -0.53 0.39 0.00 -0.31 0.00 0.00 39.34 39.03 3h77 n TYR 189 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3h77 h PHE 190 N 3.96 0.87 -0.20 -0.72 3.57 -1.00 -1.75 116.94 121.67 3h77 h PHE 190 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3h77 h PHE 190 Cb 2.01 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.49 3h77 h PHE 190 CO 1.11 0.23 0.00 -0.25 -2.23 0.00 0.00 178.31 177.17 3h77 n ASP 191 N -4.64 1.39 -0.35 0.41 8.00 -1.26 -3.74 116.55 116.36 3h77 n ASP 191 Ca 0.21 -1.81 0.02 0.00 0.71 0.00 0.00 54.79 53.93 3h77 n ASP 191 Cb 0.59 -0.13 0.17 0.00 -0.02 0.00 0.00 41.12 41.73 3h77 n ASP 191 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3h77 h LEU 192 N 1.69 0.97 -6.15 0.64 3.38 -1.64 -3.41 115.31 110.79 3h77 h LEU 192 Ca 0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3h77 h LEU 192 Cb 0.38 -0.19 -0.23 0.00 0.09 0.00 0.00 40.66 40.71 3h77 h LEU 192 CO 0.00 0.62 -0.31 -0.22 0.09 0.00 0.00 178.44 178.62 3h77 s LEU 193 N -10.19 -1.21 0.03 1.67 2.96 -1.25 0.16 118.68 110.86 3h77 s LEU 193 Ca -0.12 0.77 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 3h77 s LEU 193 Cb 0.20 1.94 0.01 0.00 0.50 0.00 0.00 46.19 48.84 3h77 s LEU 193 CO 0.81 -0.27 0.23 0.00 -1.32 0.00 0.00 176.35 175.80 3h77 s MET 194 N 2.79 0.71 -0.26 1.98 0.23 -0.88 -4.62 119.30 119.24 3h77 s MET 194 Ca 0.18 -0.55 0.00 0.00 -1.03 0.00 0.00 55.69 54.29 3h77 s MET 194 Cb -0.15 0.30 0.04 0.00 -1.53 0.00 0.00 34.83 33.49 3h77 s MET 194 CO -0.20 -0.21 -0.08 0.99 -2.03 0.00 0.00 175.02 173.50 3h77 s THR 195 N -2.39 2.56 0.33 3.16 2.01 -1.26 -0.59 115.64 119.46 3h77 s THR 195 Ca -0.06 -1.32 0.10 0.00 0.31 0.00 0.00 61.69 60.72 3h77 s THR 195 Cb -0.02 -2.39 0.06 0.00 0.01 0.00 0.00 72.50 70.16 3h77 s THR 195 CO -0.03 0.09 1.75 0.00 -0.69 0.00 0.00 174.62 175.74 3h77 h ALA 196 N 7.92 1.23 -3.31 7.40 0.00 -1.53 -3.46 119.26 127.50 3h77 h ALA 196 Ca -0.27 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 53.93 3h77 h ALA 196 Cb 1.08 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.57 3h77 h ALA 196 CO 0.53 0.55 -0.75 0.00 0.00 0.00 0.00 179.25 179.58 3h77 s ALA 197 N -4.10 0.75 0.59 0.00 0.00 0.19 -4.19 121.76 115.00 3h77 s ALA 197 Ca -0.03 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 3h77 s ALA 197 Cb 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3h77 s ALA 197 CO 0.75 0.05 1.04 -1.25 0.00 0.00 0.00 175.76 176.35 3h77 s PRO 198 N -1.50 3.42 -0.17 0.00 0.04 -1.26 -4.22 135.00 131.31 3h77 s PRO 198 Ca -0.06 1.09 -0.35 0.00 0.04 0.00 0.00 61.00 61.72 3h77 s PRO 198 Cb -0.09 -2.05 0.14 0.00 0.04 0.00 0.00 34.50 32.53 3h77 s PRO 198 CO 0.01 -0.72 1.26 0.20 0.04 0.00 0.00 177.00 177.79 3h77 s GLY 199 N -3.06 -0.31 0.00 0.56 0.00 -0.82 -5.01 107.32 98.67 3h77 s GLY 199 Ca 0.61 1.43 0.32 0.00 0.00 0.00 0.00 44.72 47.08 3h77 s GLY 199 CO 0.39 0.45 2.19 -1.14 0.00 0.00 0.00 173.10 174.99 3h77 n SER 200 N -0.18 0.00 0.15 1.64 3.41 -1.26 -3.20 113.62 114.18 3h77 n SER 200 Ca -0.01 -0.82 -0.00 0.00 -0.26 0.00 0.00 58.87 57.78 3h77 n SER 200 Cb 0.59 -0.06 0.25 0.00 -0.26 0.00 0.00 64.21 64.73 3h77 n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h77 h ALA 201 N 3.88 1.16 -2.33 7.33 0.00 -1.92 -3.45 119.26 123.93 3h77 h ALA 201 Ca 0.00 -0.44 -0.51 0.00 0.00 0.00 0.00 54.91 53.96 3h77 h ALA 201 Cb 0.06 -0.08 0.13 0.00 0.00 0.00 0.00 17.79 17.90 3h77 h ALA 201 CO 0.00 0.61 0.31 -1.12 0.00 0.00 0.00 179.25 179.05 3h77 s SER 202 N -6.89 4.37 0.39 0.00 0.01 -1.19 -4.96 113.70 105.43 3h77 s SER 202 Ca -0.03 1.68 0.09 0.00 1.31 0.00 0.00 55.95 59.01 3h77 s SER 202 Cb 0.13 -2.40 0.86 0.00 0.21 0.00 0.00 66.02 64.83 3h77 s SER 202 CO 0.75 -2.10 1.96 -0.65 0.41 0.00 0.00 173.24 173.61 3h77 h PRO 203 N -1.17 0.59 -4.59 12.44 0.11 -1.89 -3.42 132.00 134.06 3h77 h PRO 203 Ca -0.45 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.41 3h77 h PRO 203 Cb 1.24 -0.13 -0.15 0.00 0.11 0.00 0.00 31.00 32.07 3h77 h PRO 203 CO 0.53 0.39 -0.68 0.95 -0.21 0.00 0.00 178.00 178.98 3h77 s THR 204 N -5.56 0.55 0.24 -1.15 -4.23 -1.26 -5.07 115.64 99.16 3h77 s THR 204 Ca -0.09 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 3h77 s THR 204 Cb 0.20 -1.79 0.21 0.00 1.34 0.00 0.00 72.50 72.46 3h77 s THR 204 CO 0.76 -0.77 1.80 0.15 -0.54 0.00 0.00 174.62 176.03 3h77 h PHE 205 N 2.93 0.81 -2.71 3.99 3.57 -1.83 -2.99 116.94 120.71 3h77 h PHE 205 Ca -0.35 0.03 -0.61 0.00 3.53 0.00 0.00 57.97 60.57 3h77 h PHE 205 Cb 1.17 -0.24 -0.42 0.00 2.79 0.00 0.00 35.95 39.25 3h77 h PHE 205 CO 0.55 0.32 -0.58 1.28 -2.23 0.00 0.00 178.31 177.65 3h77 n LEU 206 N -4.77 3.34 -4.69 0.59 4.77 -1.26 -1.95 117.00 113.02 3h77 n LEU 206 Ca 0.13 -5.31 -0.42 0.00 -0.03 0.00 0.00 56.01 50.38 3h77 n LEU 206 Cb 0.28 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 3h77 n LEU 206 CO 0.26 1.88 0.97 -0.62 -1.33 0.00 0.00 177.39 178.56 3h77 s ASP 207 N -1.90 7.02 0.17 -1.43 -1.08 -1.13 -4.95 116.67 113.37 3h77 s ASP 207 Ca 0.31 1.90 -0.14 0.00 -0.52 0.00 0.00 52.55 54.10 3h77 s ASP 207 Cb 0.04 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 39.02 3h77 s ASP 207 CO -0.10 -0.59 1.82 -0.33 0.52 0.00 0.00 175.17 176.48 3h77 h GLU 208 N 7.44 0.61 -0.63 4.34 5.08 -1.97 -1.99 114.58 127.45 3h77 h GLU 208 Ca -0.36 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3h77 h GLU 208 Cb 1.17 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 3h77 h GLU 208 CO 0.88 0.40 0.36 -0.97 -1.00 0.00 0.00 179.01 178.68 3h77 h ASN 209 N 0.63 0.78 -0.17 1.42 -1.24 -1.99 0.42 115.58 115.42 3h77 h ASN 209 Ca 0.20 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3h77 h ASN 209 Cb -0.01 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 3h77 h ASN 209 CO -0.07 0.63 0.11 0.58 -1.29 0.00 0.00 177.43 177.38 3h77 h VAL 210 N 0.86 1.05 -0.48 2.57 2.07 -1.90 -2.08 116.25 118.35 3h77 h VAL 210 Ca 0.22 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 3h77 h VAL 210 Cb 0.01 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3h77 h VAL 210 CO -0.04 0.05 0.10 -0.07 0.02 0.00 0.00 177.57 177.63 3h77 h LEU 211 N 0.22 0.74 -1.33 2.57 3.38 -1.18 -0.67 115.31 119.05 3h77 h LEU 211 Ca 0.06 -0.25 0.13 0.00 0.09 0.00 0.00 57.88 57.92 3h77 h LEU 211 Cb -0.01 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 3h77 h LEU 211 CO -0.01 0.80 0.55 -0.09 0.09 0.00 0.00 178.44 179.78 3h77 h ARG 212 N 0.66 0.66 -0.17 1.13 2.43 -0.70 -1.53 114.38 116.85 3h77 h ARG 212 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3h77 h ARG 212 Cb 0.36 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3h77 h ARG 212 CO 0.01 0.44 0.00 0.39 -1.51 0.00 0.00 179.97 179.29 3h77 n GLU 213 N -4.54 1.70 0.00 0.20 1.02 -0.80 -4.89 120.64 113.33 3h77 n GLU 213 Ca 0.16 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 3h77 n GLU 213 Cb 0.43 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 3h77 n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h77 n GLY 214 N 1.10 1.01 0.23 0.62 0.00 -0.57 -4.99 105.19 102.59 3h77 n GLY 214 Ca 0.16 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.33 3h77 n GLY 214 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h77 h GLY 215 N 0.00 0.00 -0.56 -0.02 0.00 -1.26 -2.33 103.07 98.91 3h77 h GLY 215 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h77 h GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3h77 n GLY 216 N -0.26 0.08 3.89 4.60 0.00 -1.26 -0.63 105.19 111.60 3h77 n GLY 216 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3h77 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h77 s GLU 217 N -1.94 3.71 0.37 1.61 0.41 -0.88 -4.91 118.70 117.08 3h77 s GLU 217 Ca 0.36 0.17 -0.27 0.00 -0.41 0.00 0.00 54.97 54.82 3h77 s GLU 217 Cb 0.20 -2.60 -0.11 0.00 -1.78 0.00 0.00 34.13 29.84 3h77 s GLU 217 CO 0.31 0.20 1.33 1.19 -0.49 0.00 0.00 175.26 177.81 3h77 n PHE 218 N -0.76 2.41 -3.89 1.61 3.72 -1.26 -4.37 117.46 114.92 3h77 n PHE 218 Ca -0.00 0.52 -0.29 0.00 -0.05 0.00 0.00 57.45 57.62 3h77 n PHE 218 Cb 0.53 -2.43 -0.16 0.00 -0.94 0.00 0.00 39.48 36.48 3h77 n PHE 218 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3h77 s LEU 219 N -1.43 2.09 -0.11 4.37 0.20 0.25 -4.89 118.68 119.16 3h77 s LEU 219 Ca 0.56 -0.98 -0.03 0.00 0.69 0.00 0.00 54.13 54.37 3h77 s LEU 219 Cb -0.53 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.18 3h77 s LEU 219 CO 0.62 -0.23 0.03 -0.32 -0.29 0.00 0.00 176.35 176.15 3h77 s MET 220 N 1.53 3.22 -0.80 1.98 -2.45 -1.26 -2.08 119.30 119.43 3h77 s MET 220 Ca -0.03 -0.37 -0.14 0.00 -1.25 0.00 0.00 55.69 53.91 3h77 s MET 220 Cb -0.18 -2.91 0.21 0.00 1.25 0.00 0.00 34.83 33.21 3h77 s MET 220 CO -0.07 0.63 0.74 1.03 1.05 0.00 0.00 175.02 178.40 3h77 s ARG 221 N -0.67 3.52 0.07 4.11 0.52 0.12 -4.98 118.95 121.66 3h77 s ARG 221 Ca 0.11 -2.43 -0.25 0.00 -0.52 0.00 0.00 55.73 52.64 3h77 s ARG 221 Cb -0.12 -4.39 -0.16 0.00 0.52 0.00 0.00 34.95 30.80 3h77 s ARG 221 CO 0.02 -1.29 1.66 0.78 0.02 0.00 0.00 175.30 176.50 3h77 h GLY 222 N 7.79 -0.19 0.83 -3.53 0.00 -1.98 -2.04 103.07 103.96 3h77 h GLY 222 Ca 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3h77 h GLY 222 CO 0.76 -0.07 -0.03 3.21 0.00 0.00 0.00 176.54 180.41 3h77 h ARG 223 N -0.23 -0.09 -0.70 4.80 3.08 -1.98 -1.09 114.38 118.16 3h77 h ARG 223 Ca -0.02 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.09 3h77 h ARG 223 Cb 0.18 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3h77 h ARG 223 CO 0.03 0.09 0.46 -1.35 -1.07 0.00 0.00 179.97 178.13 3h77 h PRO 224 N -0.27 0.74 -0.38 0.04 0.11 -1.98 -2.49 132.00 127.77 3h77 h PRO 224 Ca -0.01 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 3h77 h PRO 224 Cb 0.23 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3h77 h PRO 224 CO 0.02 0.49 -0.24 1.98 -0.21 0.00 0.00 178.00 180.03 3h77 h MET 225 N 0.76 0.83 -0.55 1.05 4.05 -1.13 -1.19 114.93 118.75 3h77 h MET 225 Ca 0.29 -0.39 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 3h77 h MET 225 Cb 0.20 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 3h77 h MET 225 CO -0.09 1.03 0.30 0.35 0.23 0.00 0.00 176.91 178.72 3h77 h PHE 226 N 0.63 0.55 0.05 1.39 3.57 -0.99 0.18 116.94 122.32 3h77 h PHE 226 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3h77 h PHE 226 Cb 0.81 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.38 3h77 h PHE 226 CO 0.06 0.28 -0.02 0.93 -2.23 0.00 0.00 178.31 177.33 3h77 h GLU 227 N 0.58 -0.06 -0.50 1.11 5.08 -1.29 -0.65 114.58 118.85 3h77 h GLU 227 Ca 0.24 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 3h77 h GLU 227 Cb 0.11 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3h77 h GLU 227 CO -0.15 0.10 -0.04 1.25 -1.00 0.00 0.00 179.01 179.18 3h77 h HIS 228 N -0.21 0.99 0.33 4.33 2.76 -0.96 -1.70 115.15 120.70 3h77 h HIS 228 Ca -0.01 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 57.96 3h77 h HIS 228 Cb 0.19 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 3h77 h HIS 228 CO -0.03 0.94 -0.19 0.00 -1.30 0.00 0.00 177.93 177.36 3h77 h ALA 229 N 0.92 -0.48 -0.49 5.26 0.00 -0.62 0.07 119.26 123.92 3h77 h ALA 229 Ca 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3h77 h ALA 229 Cb 0.57 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3h77 h ALA 229 CO 0.03 -0.78 0.06 0.66 0.00 0.00 0.00 179.25 179.23 3h77 h SER 230 N -0.49 0.79 -0.42 0.00 4.64 -1.08 -0.61 113.55 116.37 3h77 h SER 230 Ca -0.04 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 60.98 3h77 h SER 230 Cb 0.40 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3h77 h SER 230 CO 0.05 0.86 0.13 1.56 -0.87 0.00 0.00 176.83 178.56 3h77 h GLN 231 N 0.69 0.66 -0.32 4.77 4.20 -1.27 -1.81 115.11 122.03 3h77 h GLN 231 Ca 0.15 -0.14 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 3h77 h GLN 231 Cb 0.42 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 3h77 h GLN 231 CO 0.01 0.65 -0.49 0.00 -0.67 0.00 0.00 178.83 178.32 3h77 h THR 232 N 0.54 1.27 -0.34 -0.54 1.03 -0.75 -1.35 112.91 112.77 3h77 h THR 232 Ca 0.14 -1.67 0.06 0.00 -0.01 0.00 0.00 66.41 64.92 3h77 h THR 232 Cb 0.26 1.54 -0.05 0.00 -1.07 0.00 0.00 68.15 68.84 3h77 h THR 232 CO -0.00 0.55 0.02 -0.07 -0.01 0.00 0.00 175.52 176.01 3h77 h LEU 233 N 0.70 -0.08 -0.32 0.00 3.38 -1.04 0.03 115.31 117.97 3h77 h LEU 233 Ca 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3h77 h LEU 233 Cb 1.10 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3h77 h LEU 233 CO 0.11 -0.01 0.17 0.58 0.09 0.00 0.00 178.44 179.38 3h77 h VAL 234 N 0.13 1.14 -0.22 1.22 2.07 -1.26 -1.47 116.25 117.86 3h77 h VAL 234 Ca 0.16 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3h77 h VAL 234 Cb 0.21 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3h77 h VAL 234 CO -0.25 0.15 0.13 -0.09 0.02 0.00 0.00 177.57 177.52 3h77 h ARG 235 N 0.39 0.25 0.00 1.57 2.43 -0.77 -2.37 114.38 115.89 3h77 h ARG 235 Ca 0.11 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 3h77 h ARG 235 Cb 0.09 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3h77 h ARG 235 CO -0.02 0.17 -0.69 -0.84 -1.51 0.00 0.00 179.97 177.09 3h77 h ILE 236 N 0.26 1.39 -0.15 1.20 3.07 -0.84 -1.19 117.51 121.26 3h77 h ILE 236 Ca 0.09 -2.43 -0.01 0.00 1.55 0.00 0.00 64.86 64.06 3h77 h ILE 236 Cb -0.00 2.35 -0.01 0.00 -0.27 0.00 0.00 36.82 38.89 3h77 h ILE 236 CO -0.04 0.67 0.06 0.00 -1.05 0.00 0.00 178.15 177.79 3h77 h ALA 237 N 1.31 0.19 -0.46 0.16 0.00 -1.18 -1.14 119.26 118.14 3h77 h ALA 237 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3h77 h ALA 237 Cb 1.29 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3h77 h ALA 237 CO 0.09 -0.22 0.18 0.78 0.00 0.00 0.00 179.25 180.08 3h77 h GLY 238 N 0.08 0.61 0.99 0.00 0.00 -1.16 -1.38 103.07 102.21 3h77 h GLY 238 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 3h77 h GLY 238 CO -0.00 0.04 0.27 0.83 0.00 0.00 0.00 176.54 177.68 3h77 h GLU 239 N 0.36 0.84 -0.11 4.80 5.08 -1.08 -0.95 114.58 123.52 3h77 h GLU 239 Ca 0.21 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3h77 h GLU 239 Cb 0.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3h77 h GLU 239 CO -0.20 0.68 0.06 1.98 -1.00 0.00 0.00 179.01 180.53 3h77 h MET 240 N 0.79 0.15 -0.07 2.33 4.05 -0.92 -0.63 114.93 120.63 3h77 h MET 240 Ca 0.20 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.61 3h77 h MET 240 Cb 0.12 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 3h77 h MET 240 CO -0.02 0.16 0.01 -0.07 0.23 0.00 0.00 176.91 177.21 3h77 h LEU 241 N 0.10 -0.01 -1.13 3.39 4.07 -1.06 -2.60 115.31 118.07 3h77 h LEU 241 Ca 0.04 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 3h77 h LEU 241 Cb 0.05 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.77 3h77 h LEU 241 CO -0.01 0.01 0.48 0.00 -1.08 0.00 0.00 178.44 177.83 3h77 h ALA 242 N 1.05 1.35 0.00 1.53 0.00 -1.08 -0.75 119.26 121.36 3h77 h ALA 242 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3h77 h ALA 242 Cb 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3h77 h ALA 242 CO -0.05 0.56 -0.08 0.00 0.00 0.00 0.00 179.25 179.69 3h77 h ALA 243 N 1.43 1.36 -0.21 0.00 0.00 -0.72 -2.47 119.26 118.65 3h77 h ALA 243 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h77 h ALA 243 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3h77 h ALA 243 CO -0.05 0.10 0.00 0.72 0.00 0.00 0.00 179.25 180.01 3h77 n HIS 244 N -3.70 0.38 -3.98 0.00 -0.00 -0.83 -4.99 115.22 102.11 3h77 n HIS 244 Ca -0.02 -0.60 -0.28 0.00 -0.00 0.00 0.00 57.72 56.82 3h77 n HIS 244 Cb 0.18 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.99 30.08 3h77 n HIS 244 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3h77 n GLU 245 N -0.07 -3.75 -3.99 -0.41 1.02 -0.77 -4.98 120.64 107.70 3h77 n GLU 245 Ca 0.10 0.45 -0.31 0.00 -0.02 0.00 0.00 57.16 57.38 3h77 n GLU 245 Cb 0.47 -4.85 -0.05 0.00 -0.02 0.00 0.00 31.44 26.99 3h77 n GLU 245 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h77 s LEU 246 N -7.04 4.07 0.39 -4.62 1.43 -0.36 -5.02 118.68 107.53 3h77 s LEU 246 Ca 0.25 0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.55 3h77 s LEU 246 Cb -0.13 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 3h77 s LEU 246 CO 0.88 0.17 0.46 0.42 0.23 0.00 0.00 176.35 178.52 3h77 s THR 247 N -1.45 3.14 0.39 5.49 -4.23 -1.26 -4.49 115.64 113.22 3h77 s THR 247 Ca 0.32 -1.15 0.13 0.00 -1.18 0.00 0.00 61.69 59.81 3h77 s THR 247 Cb -0.13 -3.09 0.34 0.00 1.34 0.00 0.00 72.50 70.97 3h77 s THR 247 CO 0.25 -0.05 1.87 -0.07 -0.54 0.00 0.00 174.62 176.08 3h77 h LEU 248 N 0.87 0.54 -2.12 4.79 3.38 -1.95 -0.97 115.31 119.84 3h77 h LEU 248 Ca -0.42 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 3h77 h LEU 248 Cb 1.27 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3h77 h LEU 248 CO 0.51 0.25 -0.08 -0.78 0.09 0.00 0.00 178.44 178.44 3h77 h ASP 249 N 0.56 0.00 0.90 -0.43 3.58 -1.94 -2.52 116.42 116.56 3h77 h ASP 249 Ca 0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 3h77 h ASP 249 Cb 0.88 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.93 3h77 h ASP 249 CO -0.19 0.08 0.00 0.47 -2.88 0.00 0.00 179.24 176.72 3h77 n ASP 250 N -3.72 0.15 -4.68 2.28 8.00 -0.37 -4.74 116.55 113.48 3h77 n ASP 250 Ca -0.02 0.52 -0.37 0.00 0.71 0.00 0.00 54.79 55.63 3h77 n ASP 250 Cb 0.18 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.64 3h77 n ASP 250 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h77 s ILE 251 N -3.03 5.31 -0.14 0.53 -1.09 -0.95 -4.51 121.20 117.31 3h77 s ILE 251 Ca 0.11 0.38 0.16 0.00 -2.23 0.00 0.00 60.65 59.07 3h77 s ILE 251 Cb 0.15 -3.58 -0.24 0.00 -1.58 0.00 0.00 42.46 37.21 3h77 s ILE 251 CO 0.46 0.33 0.29 0.47 -1.23 0.00 0.00 174.94 175.26 3h77 n ASP 252 N 4.17 0.30 -3.85 3.58 8.00 -0.58 -4.97 116.55 123.21 3h77 n ASP 252 Ca -0.13 0.14 -0.12 0.00 0.71 0.00 0.00 54.79 55.40 3h77 n ASP 252 Cb 0.52 0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 42.17 3h77 n ASP 252 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3h77 s HIS 253 N -2.57 -0.06 -0.12 1.24 3.76 -1.12 -4.80 115.29 111.61 3h77 s HIS 253 Ca -0.08 0.16 0.02 0.00 -0.15 0.00 0.00 55.06 55.01 3h77 s HIS 253 Cb 0.07 0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.78 3h77 s HIS 253 CO 0.83 -0.13 -0.20 0.08 -0.85 0.00 0.00 174.74 174.47 3h77 s VAL 254 N -0.41 1.85 -0.34 -0.90 1.01 0.13 -1.70 120.40 120.03 3h77 s VAL 254 Ca -0.05 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 60.99 3h77 s VAL 254 Cb -0.03 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.73 3h77 s VAL 254 CO 0.00 0.51 0.14 -0.63 0.00 0.00 0.00 175.10 175.12 3h77 s ILE 255 N 0.82 4.14 0.02 2.22 -1.09 -0.43 -2.14 121.20 124.73 3h77 s ILE 255 Ca -0.08 -0.91 0.05 0.00 -2.23 0.00 0.00 60.65 57.48 3h77 s ILE 255 Cb -0.16 -3.28 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 3h77 s ILE 255 CO -0.01 -0.13 -0.16 0.00 -1.23 0.00 0.00 174.94 173.41 3h77 n HIS 257 N 2.25 1.42 -3.04 0.00 -0.00 -0.18 -4.93 115.22 110.73 3h77 n HIS 257 Ca -0.16 1.08 -0.16 0.00 0.46 0.00 0.00 57.72 58.93 3h77 n HIS 257 Cb 0.54 -2.20 -0.00 0.00 -0.12 0.00 0.00 29.99 28.21 3h77 n HIS 257 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3h77 n GLN 258 N 3.26 0.89 0.27 1.57 10.64 -1.26 -4.52 117.38 128.23 3h77 n GLN 258 Ca 0.27 -2.83 0.14 0.00 -1.83 0.00 0.00 57.00 52.75 3h77 n GLN 258 Cb -0.00 -1.42 0.74 0.00 -0.86 0.00 0.00 30.24 28.71 3h77 n GLN 258 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 3h77 h PRO 259 N 3.36 0.00 -4.28 2.61 0.13 -1.95 -3.44 132.00 128.43 3h77 h PRO 259 Ca 0.02 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.96 3h77 h PRO 259 Cb 0.98 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.99 3h77 h PRO 259 CO 0.39 0.10 -0.44 0.54 -0.23 0.00 0.00 178.00 178.37 3h77 s ASN 260 N -6.02 0.15 0.28 1.44 6.03 -1.26 -4.61 114.94 110.96 3h77 s ASN 260 Ca -0.02 -1.26 0.08 0.00 -1.03 0.00 0.00 52.86 50.63 3h77 s ASN 260 Cb 0.12 0.46 0.39 0.00 -3.03 0.00 0.00 41.25 39.20 3h77 s ASN 260 CO 0.57 -0.96 1.64 0.25 -2.03 0.00 0.00 177.10 176.57 3h77 h LEU 261 N 2.47 0.13 -1.30 3.54 5.85 -1.40 -3.19 115.31 121.41 3h77 h LEU 261 Ca -0.32 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 3h77 h LEU 261 Cb 1.25 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3h77 h LEU 261 CO 0.46 0.65 0.04 0.03 -0.34 0.00 0.00 178.44 179.28 3h77 h ARG 262 N 0.09 0.52 -0.18 1.25 3.08 -1.85 -1.44 114.38 115.85 3h77 h ARG 262 Ca -0.00 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3h77 h ARG 262 Cb 0.99 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 3h77 h ARG 262 CO 0.08 0.51 0.11 0.82 -1.07 0.00 0.00 179.97 180.42 3h77 h ILE 263 N 0.51 1.08 -0.72 2.04 1.08 -1.92 -1.13 117.51 118.44 3h77 h ILE 263 Ca 0.11 -0.19 0.01 0.00 -0.39 0.00 0.00 64.86 64.40 3h77 h ILE 263 Cb 0.26 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 3h77 h ILE 263 CO 0.00 0.07 0.47 0.25 -0.69 0.00 0.00 178.15 178.26 3h77 h LEU 264 N 0.22 0.83 -0.63 1.44 5.85 -1.51 -1.33 115.31 120.18 3h77 h LEU 264 Ca 0.07 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.80 3h77 h LEU 264 Cb 0.02 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3h77 h LEU 264 CO -0.01 0.60 0.38 0.44 -0.34 0.00 0.00 178.44 179.51 3h77 h ASP 265 N 0.97 0.61 -0.16 1.25 3.32 -1.06 0.46 116.42 121.82 3h77 h ASP 265 Ca 0.26 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 3h77 h ASP 265 Cb -0.11 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3h77 h ASP 265 CO -0.06 0.42 0.05 0.00 -1.72 0.00 0.00 179.24 177.93 3h77 h ALA 266 N 1.28 0.20 -0.02 3.45 0.00 -0.62 -0.89 119.26 122.68 3h77 h ALA 266 Ca 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3h77 h ALA 266 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h77 h ALA 266 CO -0.12 -0.18 0.01 0.28 0.00 0.00 0.00 179.25 179.24 3h77 h VAL 267 N 0.07 1.05 0.05 0.00 2.07 -1.08 -1.87 116.25 116.55 3h77 h VAL 267 Ca 0.05 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3h77 h VAL 267 Cb 0.22 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3h77 h VAL 267 CO -0.00 0.04 -0.30 -0.61 0.02 0.00 0.00 177.57 176.72 3h77 h GLN 268 N -0.04 -0.46 -0.38 1.57 -0.00 -0.73 -0.72 115.11 114.36 3h77 h GLN 268 Ca 0.01 0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.59 3h77 h GLN 268 Cb 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.63 3h77 h GLN 268 CO -0.00 -0.30 -0.16 1.05 0.00 0.00 0.00 178.83 179.42 3h77 h GLU 269 N -0.47 0.69 -0.20 1.69 4.11 -1.08 0.19 114.58 119.51 3h77 h GLU 269 Ca 0.05 -0.24 -0.11 0.00 0.07 0.00 0.00 59.36 59.12 3h77 h GLU 269 Cb 0.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3h77 h GLU 269 CO -0.22 0.82 -0.36 1.96 0.07 0.00 0.00 179.01 181.28 3h77 h GLN 270 N 0.62 0.44 0.10 1.06 4.20 -1.19 -3.17 115.11 117.17 3h77 h GLN 270 Ca 0.10 -0.20 -0.26 0.00 0.06 0.00 0.00 58.65 58.35 3h77 h GLN 270 Cb 0.62 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 3h77 h GLN 270 CO 0.04 0.75 -1.19 -0.07 -0.67 0.00 0.00 178.83 177.68 3h77 h LEU 271 N 0.37 0.33 0.07 1.46 3.38 -0.72 -3.48 115.31 116.72 3h77 h LEU 271 Ca 0.04 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3h77 h LEU 271 Cb 0.81 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3h77 h LEU 271 CO 0.07 1.28 -0.03 0.61 0.09 0.00 0.00 178.44 180.45 3h77 n GLY 272 N 1.49 0.50 3.73 0.83 0.00 0.64 -4.95 105.19 107.44 3h77 n GLY 272 Ca -0.07 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 3h77 n GLY 272 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h77 s ILE 273 N -2.05 4.98 0.15 -0.61 1.01 -1.24 -5.00 121.20 118.43 3h77 s ILE 273 Ca 0.00 1.38 -0.34 0.00 0.00 0.00 0.00 60.65 61.68 3h77 s ILE 273 Cb 0.00 -4.00 -0.16 0.00 0.01 0.00 0.00 42.46 38.31 3h77 s ILE 273 CO 0.00 0.32 1.33 -2.65 0.00 0.00 0.00 174.94 173.93 3h77 n PRO 274 N 3.36 1.42 -0.29 2.79 -0.02 -1.26 -4.81 135.00 136.19 3h77 n PRO 274 Ca -0.03 0.51 0.21 0.00 -2.02 0.00 0.00 63.50 62.16 3h77 n PRO 274 Cb 0.51 -2.12 0.51 0.00 -0.02 0.00 0.00 33.50 32.37 3h77 n PRO 274 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3h77 h GLN 275 N 4.32 0.40 0.00 -0.52 3.07 -1.94 -1.12 115.11 119.33 3h77 h GLN 275 Ca -0.45 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3h77 h GLN 275 Cb 1.32 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.79 3h77 h GLN 275 CO 0.77 0.27 0.00 -2.39 0.09 0.00 0.00 178.83 177.56 3h77 n HIS 276 N -4.56 0.79 0.97 0.06 1.44 -1.26 -1.49 115.22 111.17 3h77 n HIS 276 Ca 0.22 0.36 0.13 0.00 -2.01 0.00 0.00 57.72 56.42 3h77 n HIS 276 Cb 0.78 -1.08 0.44 0.00 0.12 0.00 0.00 29.99 30.26 3h77 n HIS 276 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3h77 n LYS 277 N -2.27 0.02 -2.98 -1.40 5.02 -0.42 -4.74 118.16 111.39 3h77 n LYS 277 Ca 0.00 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 3h77 n LYS 277 Cb 0.13 -1.52 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 3h77 n LYS 277 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3h77 s PHE 278 N -3.01 3.36 0.06 2.13 0.08 -0.55 -0.70 117.98 119.35 3h77 s PHE 278 Ca 0.12 1.08 -0.31 0.00 0.12 0.00 0.00 56.93 57.94 3h77 s PHE 278 Cb 0.18 -2.94 -0.06 0.00 -0.57 0.00 0.00 43.02 39.62 3h77 s PHE 278 CO 0.61 -0.28 1.27 0.00 -0.10 0.00 0.00 175.22 176.72 3h77 s ALA 279 N 2.34 3.48 -0.14 5.36 0.00 -0.91 -4.96 121.76 126.92 3h77 s ALA 279 Ca 0.33 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.21 3h77 s ALA 279 Cb -0.16 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3h77 s ALA 279 CO 0.10 -0.57 -0.18 0.08 0.00 0.00 0.00 175.76 175.18 3h77 s VAL 280 N 1.35 2.42 0.00 0.00 1.01 -1.26 -4.67 120.40 119.25 3h77 s VAL 280 Ca 0.61 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3h77 s VAL 280 Cb -0.31 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3h77 s VAL 280 CO 0.28 0.53 0.00 0.35 0.00 0.00 0.00 175.10 176.27 3h77 n THR 281 N 3.96 0.00 0.22 3.92 -2.24 -1.26 -4.87 114.28 114.01 3h77 n THR 281 Ca -0.19 -0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.61 3h77 n THR 281 Cb 0.52 0.41 0.53 0.00 -2.10 0.00 0.00 70.33 69.68 3h77 n THR 281 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3h77 h VAL 282 N 0.00 1.10 -0.59 2.28 3.04 -1.84 0.71 116.25 120.95 3h77 h VAL 282 Ca 0.00 -0.45 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 3h77 h VAL 282 Cb 0.00 1.21 -0.03 0.00 -2.01 0.00 0.00 31.29 30.46 3h77 h VAL 282 CO 0.00 0.13 0.30 -2.24 -1.01 0.00 0.00 177.57 174.75 3h77 h ASP 283 N 0.03 0.74 0.00 3.17 2.03 -1.88 -1.37 116.42 119.15 3h77 h ASP 283 Ca 0.01 -0.07 -0.20 0.00 -0.73 0.00 0.00 57.03 56.04 3h77 h ASP 283 Cb 0.22 -0.19 -0.04 0.00 -0.83 0.00 0.00 39.33 38.50 3h77 h ASP 283 CO 0.02 0.62 -2.16 0.54 -1.03 0.00 0.00 179.24 177.22 3h77 n ARG 284 N -4.37 0.77 0.00 4.15 1.74 -0.78 -0.15 116.66 118.02 3h77 n ARG 284 Ca 0.05 -0.08 0.03 0.00 -0.77 0.00 0.00 57.85 57.08 3h77 n ARG 284 Cb 0.12 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.06 3h77 n ARG 284 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h77 n LEU 285 N -2.50 0.86 0.00 0.55 4.77 0.17 -3.66 117.00 117.19 3h77 n LEU 285 Ca -0.20 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 3h77 n LEU 285 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 3h77 n LEU 285 CO 0.42 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3h77 n GLY 286 N 0.85 -0.08 3.61 -0.72 0.00 -0.52 -4.38 105.19 103.96 3h77 n GLY 286 Ca 0.03 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 3h77 n GLY 286 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h77 s ASN 287 N -4.00 6.12 -0.44 1.61 3.84 0.90 -4.41 114.94 118.56 3h77 s ASN 287 Ca 0.00 0.12 0.04 0.00 0.21 0.00 0.00 52.86 53.23 3h77 s ASN 287 Cb 0.00 -2.15 0.50 0.00 -0.55 0.00 0.00 41.25 39.05 3h77 s ASN 287 CO 0.00 -0.06 1.64 0.23 -2.79 0.00 0.00 177.10 176.12 3h77 n MET 288 N 4.93 2.63 0.00 0.43 2.81 -1.26 -1.32 117.12 125.35 3h77 n MET 288 Ca -0.13 -3.46 0.00 0.00 -1.81 0.00 0.00 57.70 52.31 3h77 n MET 288 Cb 0.52 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 3h77 n MET 288 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h77 n ALA 289 N -0.95 0.00 0.30 3.04 0.00 -1.26 -1.29 120.51 120.35 3h77 n ALA 289 Ca 0.49 0.00 0.19 0.00 0.00 0.00 0.00 53.44 54.13 3h77 n ALA 289 Cb 0.98 0.00 0.94 0.00 0.00 0.00 0.00 19.45 21.37 3h77 n ALA 289 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h77 h SER 290 N 0.00 0.00 1.01 0.00 4.64 -1.93 -1.98 113.55 115.29 3h77 h SER 290 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3h77 h SER 290 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3h77 h SER 290 CO 0.00 0.01 -0.21 0.00 -0.87 0.00 0.00 176.83 175.76 3h77 h ALA 291 N 1.99 1.00 -0.29 5.18 0.00 -1.42 -3.36 119.26 122.36 3h77 h ALA 291 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3h77 h ALA 291 Cb 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3h77 h ALA 291 CO 0.00 0.27 0.12 0.77 0.00 0.00 0.00 179.25 180.41 3h77 h SER 292 N 0.00 0.16 0.17 0.00 0.02 -1.43 -0.48 113.55 111.99 3h77 h SER 292 Ca -0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3h77 h SER 292 Cb 0.78 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3h77 h SER 292 CO 0.03 0.13 -0.08 0.74 -1.14 0.00 0.00 176.83 176.50 3h77 h THR 293 N 0.26 0.92 -0.19 -2.27 2.02 -1.77 -0.29 112.91 111.60 3h77 h THR 293 Ca 0.12 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 3h77 h THR 293 Cb 0.07 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3h77 h THR 293 CO -0.11 0.10 -0.31 1.55 0.37 0.00 0.00 175.52 177.12 3h77 h PRO 294 N -0.43 0.38 -0.28 6.66 0.13 -1.74 0.41 132.00 137.12 3h77 h PRO 294 Ca -0.02 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3h77 h PRO 294 Cb 0.34 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 3h77 h PRO 294 CO 0.04 0.65 0.17 0.28 -0.23 0.00 0.00 178.00 178.91 3h77 h VAL 295 N 0.33 1.10 -0.42 1.56 2.07 -1.04 0.61 116.25 120.45 3h77 h VAL 295 Ca 0.04 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3h77 h VAL 295 Cb 0.71 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3h77 h VAL 295 CO 0.05 0.09 0.18 0.74 0.02 0.00 0.00 177.57 178.66 3h77 h THR 296 N 0.36 1.19 -0.39 2.57 2.02 -0.76 0.13 112.91 118.04 3h77 h THR 296 Ca 0.10 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3h77 h THR 296 Cb 0.00 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3h77 h THR 296 CO -0.02 0.21 0.23 0.25 0.37 0.00 0.00 175.52 176.56 3h77 h LEU 297 N 0.53 0.48 -0.54 2.58 5.85 -0.76 -1.61 115.31 121.84 3h77 h LEU 297 Ca 0.14 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 3h77 h LEU 297 Cb 0.16 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3h77 h LEU 297 CO -0.01 0.41 0.01 0.00 -0.34 0.00 0.00 178.44 178.50 3h77 h ALA 298 N 1.09 0.73 -0.53 1.25 0.00 -0.61 0.07 119.26 121.26 3h77 h ALA 298 Ca 0.14 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3h77 h ALA 298 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h77 h ALA 298 CO -0.02 0.55 0.08 0.52 0.00 0.00 0.00 179.25 180.37 3h77 h MET 299 N 0.83 0.85 -0.00 0.00 2.86 -0.54 -3.01 114.93 115.92 3h77 h MET 299 Ca 0.15 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3h77 h MET 299 Cb 0.53 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3h77 h MET 299 CO 0.03 0.80 -0.53 1.19 1.06 0.00 0.00 176.91 179.46 3h77 n PHE 300 N -4.24 0.00 -0.24 -0.22 3.72 -0.62 -4.46 117.46 111.40 3h77 n PHE 300 Ca 0.03 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.47 3h77 n PHE 300 Cb 0.26 -0.17 0.16 0.00 -0.94 0.00 0.00 39.48 38.79 3h77 n PHE 300 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 3h77 h TRP 301 N 0.36 0.46 0.00 1.38 2.91 -0.83 0.43 115.95 120.66 3h77 h TRP 301 Ca 0.00 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 3h77 h TRP 301 Cb 0.51 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.07 3h77 h TRP 301 CO 0.00 0.07 -0.03 -1.35 -1.03 0.00 0.00 178.44 176.10 3h77 h PRO 302 N 0.43 0.00 -0.00 2.65 0.11 -1.79 -1.42 132.00 131.97 3h77 h PRO 302 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3h77 h PRO 302 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3h77 h PRO 302 CO -0.38 0.03 -0.08 -0.25 -0.21 0.00 0.00 178.00 177.11 3h77 n ASP 303 N -3.74 0.23 -4.59 -2.05 8.00 0.13 -4.74 116.55 109.79 3h77 n ASP 303 Ca -0.03 -0.27 -0.40 0.00 0.71 0.00 0.00 54.79 54.80 3h77 n ASP 303 Cb 0.12 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 40.95 3h77 n ASP 303 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h77 s ILE 304 N -2.60 5.09 0.37 0.53 1.01 -0.54 -5.04 121.20 120.02 3h77 s ILE 304 Ca 0.26 0.60 0.03 0.00 0.00 0.00 0.00 60.65 61.54 3h77 s ILE 304 Cb 0.20 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3h77 s ILE 304 CO 0.49 0.01 0.54 -1.10 0.00 0.00 0.00 174.94 174.88 3h77 s GLN 305 N 2.26 3.20 0.18 2.79 -0.21 -1.26 -4.99 119.66 121.62 3h77 s GLN 305 Ca 0.18 -0.67 -0.33 0.00 0.02 0.00 0.00 55.36 54.56 3h77 s GLN 305 Cb -0.16 -2.71 -0.15 0.00 1.00 0.00 0.00 33.01 31.00 3h77 s GLN 305 CO 0.11 -0.00 1.30 -2.30 -2.12 0.00 0.00 175.29 172.27 3h77 n PRO 306 N -1.80 1.51 -0.24 2.91 -0.02 -1.26 -1.68 135.00 134.41 3h77 n PRO 306 Ca -0.01 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3h77 n PRO 306 Cb 0.57 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3h77 n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h77 n GLY 307 N 2.27 2.31 3.80 -1.23 0.00 0.00 -4.80 105.19 107.54 3h77 n GLY 307 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3h77 n GLY 307 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h77 s GLN 308 N -0.02 3.84 -0.13 1.61 -0.21 -0.68 -4.70 119.66 119.37 3h77 s GLN 308 Ca 0.00 1.36 -0.05 0.00 0.02 0.00 0.00 55.36 56.69 3h77 s GLN 308 Cb 0.00 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 3h77 s GLN 308 CO 0.00 -0.39 0.03 1.03 -2.12 0.00 0.00 175.29 173.83 3h77 s ARG 309 N -3.18 3.49 -0.06 2.91 0.52 -1.26 -2.15 118.95 119.21 3h77 s ARG 309 Ca 0.66 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 55.54 3h77 s ARG 309 Cb -0.16 -2.99 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 3h77 s ARG 309 CO 0.20 0.48 -0.20 0.08 0.02 0.00 0.00 175.30 175.89 3h77 s VAL 310 N -0.25 2.55 -0.20 3.52 1.01 0.10 -1.52 120.40 125.61 3h77 s VAL 310 Ca 0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3h77 s VAL 310 Cb -0.12 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3h77 s VAL 310 CO 0.02 0.57 -0.04 -0.22 0.00 0.00 0.00 175.10 175.43 3h77 s LEU 311 N -0.31 2.99 -0.16 3.92 2.96 -0.69 -1.16 118.68 126.22 3h77 s LEU 311 Ca 0.02 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 3h77 s LEU 311 Cb -0.13 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 3h77 s LEU 311 CO 0.02 0.03 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.36 3h77 s VAL 312 N 1.16 3.82 -0.12 1.68 1.01 -0.21 -1.32 120.40 126.42 3h77 s VAL 312 Ca 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3h77 s VAL 312 Cb -0.14 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.57 3h77 s VAL 312 CO -0.00 0.48 -0.15 -0.76 0.00 0.00 0.00 175.10 174.67 3h77 s LEU 313 N 0.50 1.71 0.11 3.92 1.43 0.20 -1.17 118.68 125.38 3h77 s LEU 313 Ca -0.03 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3h77 s LEU 313 Cb -0.14 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 3h77 s LEU 313 CO 0.03 -0.01 -0.20 0.28 0.23 0.00 0.00 176.35 176.68 3h77 s THR 314 N 1.14 1.71 -0.06 5.49 -1.32 -0.13 -1.02 115.64 121.45 3h77 s THR 314 Ca -0.03 -1.59 -0.13 0.00 -1.21 0.00 0.00 61.69 58.73 3h77 s THR 314 Cb -0.14 -1.58 0.03 0.00 -1.51 0.00 0.00 72.50 69.29 3h77 s THR 314 CO -0.04 -0.11 0.31 -0.47 -2.21 0.00 0.00 174.62 172.10 3h77 s TYR 315 N -1.31 -0.26 0.22 9.09 5.04 -1.26 -1.89 117.35 126.99 3h77 s TYR 315 Ca 0.08 0.54 -0.09 0.00 -2.44 0.00 0.00 57.07 55.15 3h77 s TYR 315 Cb -0.09 0.10 -0.01 0.00 0.35 0.00 0.00 41.96 42.31 3h77 s TYR 315 CO 0.04 -0.29 0.36 0.20 -1.34 0.00 0.00 175.55 174.53 3h77 s GLY 316 N -0.63 0.78 0.76 8.97 0.00 0.10 -4.19 107.32 113.11 3h77 s GLY 316 Ca -0.07 -1.11 -0.15 0.00 0.00 0.00 0.00 44.72 43.39 3h77 s GLY 316 CO 0.02 -0.87 0.96 -1.14 0.00 0.00 0.00 173.10 172.07 3h77 n SER 317 N -0.33 0.31 0.00 1.64 3.41 -1.26 -1.58 113.62 115.81 3h77 n SER 317 Ca -0.01 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3h77 n SER 317 Cb 0.63 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 3h77 n SER 317 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h77 n GLY 318 N 1.02 2.41 3.83 5.00 0.00 -1.26 -3.37 105.19 112.82 3h77 n GLY 318 Ca 0.12 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3h77 n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h77 s ALA 319 N 0.00 3.12 0.19 4.61 0.00 -0.52 -2.44 121.76 126.71 3h77 s ALA 319 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.30 3h77 s ALA 319 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3h77 s ALA 319 CO 0.00 0.10 -0.16 0.95 0.00 0.00 0.00 175.76 176.65 3h77 s THR 320 N -2.23 1.75 0.31 0.00 -4.23 -0.62 -1.02 115.64 109.60 3h77 s THR 320 Ca 0.59 -2.07 -0.18 0.00 -1.18 0.00 0.00 61.69 58.85 3h77 s THR 320 Cb -0.09 -1.93 0.03 0.00 1.34 0.00 0.00 72.50 71.84 3h77 s THR 320 CO 0.18 -0.47 0.71 -1.66 -0.54 0.00 0.00 174.62 172.83 3h77 s TRP 321 N -2.55 -0.03 -0.18 3.99 -2.14 -0.26 -0.72 118.94 117.04 3h77 s TRP 321 Ca 0.19 -0.47 -0.33 0.00 2.66 0.00 0.00 56.10 58.15 3h77 s TRP 321 Cb -0.03 0.67 0.14 0.00 -3.10 0.00 0.00 33.47 31.15 3h77 s TRP 321 CO 0.07 -1.30 1.17 0.20 -2.66 0.00 0.00 176.95 174.43 3h77 s GLY 322 N -2.98 -0.25 0.01 3.67 0.00 -0.79 -1.34 107.32 105.65 3h77 s GLY 322 Ca 0.14 1.80 0.01 0.00 0.00 0.00 0.00 44.72 46.67 3h77 s GLY 322 CO 0.09 0.68 -0.04 0.00 0.00 0.00 0.00 173.10 173.83 3h77 s ALA 323 N -2.08 0.26 0.06 3.20 0.00 -0.27 -0.96 121.76 121.98 3h77 s ALA 323 Ca 0.07 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.77 3h77 s ALA 323 Cb -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3h77 s ALA 323 CO -0.05 0.01 -0.11 0.00 0.00 0.00 0.00 175.76 175.62 3h77 s ALA 324 N -0.49 0.86 -0.13 0.00 0.00 -0.31 -1.03 121.76 120.65 3h77 s ALA 324 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.05 3h77 s ALA 324 Cb -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3h77 s ALA 324 CO -0.00 0.05 -0.20 -1.17 0.00 0.00 0.00 175.76 174.44 3h77 s LEU 325 N -1.73 1.98 0.00 0.00 2.96 -0.59 -1.05 118.68 120.25 3h77 s LEU 325 Ca -0.05 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3h77 s LEU 325 Cb -0.09 -1.33 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 3h77 s LEU 325 CO 0.01 0.06 -0.12 -0.47 -1.32 0.00 0.00 176.35 174.50 3h77 s TYR 326 N 0.89 1.11 -0.08 5.38 5.04 -0.31 -0.92 117.35 128.46 3h77 s TYR 326 Ca -0.06 -0.24 0.01 0.00 -2.44 0.00 0.00 57.07 54.33 3h77 s TYR 326 Cb -0.15 -0.70 0.02 0.00 0.35 0.00 0.00 41.96 41.48 3h77 s TYR 326 CO -0.02 -0.01 -0.08 0.50 -1.34 0.00 0.00 175.55 174.60 3h77 s ARG 327 N -0.49 1.41 0.32 4.97 3.52 -0.25 0.02 118.95 128.45 3h77 s ARG 327 Ca 0.04 -0.26 -0.28 0.00 -0.13 0.00 0.00 55.73 55.09 3h77 s ARG 327 Cb -0.05 -1.35 -0.10 0.00 -1.56 0.00 0.00 34.95 31.90 3h77 s ARG 327 CO -0.00 -0.13 1.17 0.15 -0.81 0.00 0.00 175.30 175.68 3h77 s LYS 328 N 1.20 4.44 0.47 5.12 1.02 -0.92 0.33 119.74 131.40 3h77 s LYS 328 Ca -0.05 1.92 -0.23 0.00 0.02 0.00 0.00 55.97 57.63 3h77 s LYS 328 Cb -0.14 -3.04 -0.09 0.00 -0.52 0.00 0.00 37.83 34.04 3h77 s LYS 328 CO -0.02 -0.01 1.02 -2.30 -0.92 0.00 0.00 175.35 173.12 3h77 n PRO 329 N 0.83 1.29 0.00 -1.68 -0.02 -1.26 -0.82 135.00 133.34 3h77 n PRO 329 Ca 0.00 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 3h77 n PRO 329 Cb 0.44 -2.11 0.73 0.00 -0.02 0.00 0.00 33.50 32.54 3h77 n PRO 329 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57