#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5j s ALA 3 N 0.00 3.63 -0.18 0.62 0.00 -1.26 -4.42 121.76 120.15 3h5j s ALA 3 Ca 0.00 1.38 -0.23 0.00 0.00 0.00 0.00 51.96 53.10 3h5j s ALA 3 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 3h5j s ALA 3 CO 0.00 -0.79 0.74 0.12 0.00 0.00 0.00 175.76 175.83 3h5j s PHE 4 N -0.18 3.40 0.03 0.00 5.36 0.76 -4.91 117.98 122.44 3h5j s PHE 4 Ca 0.59 1.11 -0.03 0.00 -0.96 0.00 0.00 56.93 57.64 3h5j s PHE 4 Cb -0.43 -2.92 -0.01 0.00 -0.34 0.00 0.00 43.02 39.32 3h5j s PHE 4 CO 0.46 -0.21 -0.06 1.58 -1.46 0.00 0.00 175.22 175.54 3h5j n HIS 5 N 5.15 0.00 -3.95 10.12 -0.00 -1.26 -4.02 115.22 121.26 3h5j n HIS 5 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.64 3h5j n HIS 5 Cb 0.49 -0.10 -0.12 0.00 -0.00 0.00 0.00 29.99 30.26 3h5j n HIS 5 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 3h5j s THR 6 N -2.13 0.08 -0.04 3.57 -4.23 -1.26 -1.10 115.64 110.53 3h5j s THR 6 Ca -0.05 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 3h5j s THR 6 Cb 0.01 -0.19 0.02 0.00 1.34 0.00 0.00 72.50 73.68 3h5j s THR 6 CO 0.07 -0.37 -0.05 -2.28 -0.54 0.00 0.00 174.62 171.46 3h5j s HIS 7 N -1.07 0.75 -0.08 3.99 5.04 -0.39 -4.99 115.29 118.54 3h5j s HIS 7 Ca -0.12 -0.20 0.05 0.00 -1.54 0.00 0.00 55.06 53.25 3h5j s HIS 7 Cb -0.07 -0.64 -0.00 0.00 0.04 0.00 0.00 32.58 31.90 3h5j s HIS 7 CO -0.01 -0.17 -0.24 -1.12 -2.34 0.00 0.00 174.74 170.86 3h5j s SER 8 N 0.79 3.02 0.14 9.88 0.01 -1.26 -0.60 113.70 125.68 3h5j s SER 8 Ca -0.11 -0.53 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 3h5j s SER 8 Cb -0.14 -1.16 0.08 0.00 0.21 0.00 0.00 66.02 65.01 3h5j s SER 8 CO 0.00 0.19 1.06 -0.83 0.41 0.00 0.00 173.24 174.07 3h5j s GLY 9 N 0.15 -0.04 0.13 3.44 0.00 -0.77 -4.97 107.32 105.26 3h5j s GLY 9 Ca -0.13 -0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.19 3h5j s GLY 9 CO 0.07 1.80 1.82 -0.42 0.00 0.00 0.00 173.10 176.37 3h5j s ILE 10 N -2.47 2.51 0.27 0.90 1.01 -1.26 -0.84 121.20 121.33 3h5j s ILE 10 Ca 0.19 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.65 3h5j s ILE 10 Cb -0.01 -3.03 -0.09 0.00 0.01 0.00 0.00 42.46 39.33 3h5j s ILE 10 CO 0.03 0.00 0.85 -0.83 0.00 0.00 0.00 174.94 174.99 3h5j s GLY 11 N 2.64 2.77 -0.18 6.18 0.00 -0.96 -1.71 107.32 116.06 3h5j s GLY 11 Ca 0.81 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.93 3h5j s GLY 11 CO 0.36 0.82 -0.13 0.14 0.00 0.00 0.00 173.10 174.29 3h5j s VAL 12 N -1.51 1.72 -0.33 1.40 1.01 0.42 -4.69 120.40 118.43 3h5j s VAL 12 Ca 0.46 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 3h5j s VAL 12 Cb -0.19 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3h5j s VAL 12 CO 0.24 0.33 0.79 -2.16 0.00 0.00 0.00 175.10 174.30 3h5j s PRO 13 N 1.39 3.89 -0.37 2.72 0.04 -1.26 -0.74 135.00 140.67 3h5j s PRO 13 Ca 0.02 0.49 0.04 0.00 0.04 0.00 0.00 61.00 61.59 3h5j s PRO 13 Cb -0.15 -3.76 0.10 0.00 0.04 0.00 0.00 34.50 30.74 3h5j s PRO 13 CO -0.10 -0.75 0.09 -1.17 0.04 0.00 0.00 177.00 175.11 3h5j s LEU 14 N 3.03 4.73 -1.41 -3.56 2.96 0.18 -4.94 118.68 119.68 3h5j s LEU 14 Ca 0.32 -2.28 -0.10 0.00 -0.22 0.00 0.00 54.13 51.85 3h5j s LEU 14 Cb -0.14 -1.64 0.07 0.00 0.50 0.00 0.00 46.19 44.99 3h5j s LEU 14 CO 0.14 -0.36 2.26 0.54 -1.32 0.00 0.00 176.35 177.61 3h5j n ARG 15 N 4.10 3.54 -4.19 1.98 1.74 -1.26 -2.87 116.66 119.69 3h5j n ARG 15 Ca 0.04 -2.98 -0.18 0.00 -0.77 0.00 0.00 57.85 53.96 3h5j n ARG 15 Cb 0.41 -2.98 -0.15 0.00 -1.02 0.00 0.00 32.46 28.72 3h5j n ARG 15 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h5j s ARG 16 N 1.37 0.60 0.19 5.56 1.81 -1.26 -4.93 118.95 122.29 3h5j s ARG 16 Ca 0.49 -0.17 0.04 0.00 -1.72 0.00 0.00 55.73 54.37 3h5j s ARG 16 Cb 0.14 -0.60 -0.03 0.00 -0.45 0.00 0.00 34.95 34.00 3h5j s ARG 16 CO -0.05 0.06 0.28 -1.12 -0.68 0.00 0.00 175.30 173.78 3h5j s SER 17 N 0.24 6.12 -1.52 0.23 0.01 -1.26 -1.44 113.70 116.07 3h5j s SER 17 Ca -0.03 0.04 -0.09 0.00 1.31 0.00 0.00 55.95 57.19 3h5j s SER 17 Cb -0.07 -1.76 0.07 0.00 0.21 0.00 0.00 66.02 64.47 3h5j s SER 17 CO -0.00 0.00 0.71 0.59 0.41 0.00 0.00 173.24 174.95 3h5j n ASN 18 N -0.87 -2.44 -4.64 2.44 4.13 0.45 -4.84 115.26 109.50 3h5j n ASN 18 Ca -0.08 -0.93 -0.43 0.00 1.68 0.00 0.00 54.58 54.83 3h5j n ASN 18 Cb 0.56 -3.30 -0.02 0.00 -1.54 0.00 0.00 39.78 35.47 3h5j n ASN 18 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3h5j s VAL 19 N -3.56 3.77 0.53 2.41 1.01 -1.22 -4.81 120.40 118.53 3h5j s VAL 19 Ca 0.39 0.89 0.09 0.00 0.00 0.00 0.00 61.98 63.34 3h5j s VAL 19 Cb -0.20 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.49 3h5j s VAL 19 CO 0.88 -0.27 0.66 1.51 0.00 0.00 0.00 175.10 177.88 3h5j s ASP 20 N 3.80 5.14 0.24 3.32 -4.77 -1.26 -0.29 116.67 122.85 3h5j s ASP 20 Ca 0.69 -0.81 -0.05 0.00 -3.30 0.00 0.00 52.55 49.08 3h5j s ASP 20 Cb -0.25 0.06 0.42 0.00 -1.09 0.00 0.00 42.92 42.06 3h5j s ASP 20 CO 0.27 -1.14 1.76 0.71 0.70 0.00 0.00 175.17 177.47 3h5j h THR 21 N 0.41 0.76 0.00 2.11 1.35 -1.85 -0.30 112.91 115.40 3h5j h THR 21 Ca -0.34 -0.19 -0.03 0.00 -0.55 0.00 0.00 66.41 65.31 3h5j h THR 21 Cb 1.29 0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3h5j h THR 21 CO 0.45 0.10 -0.12 0.44 -0.25 0.00 0.00 175.52 176.14 3h5j h ASP 22 N 0.55 0.00 0.22 5.36 3.32 -1.94 0.94 116.42 124.87 3h5j h ASP 22 Ca 0.39 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.12 3h5j h ASP 22 Cb 0.51 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.09 3h5j h ASP 22 CO -0.33 0.12 -1.51 1.56 -1.72 0.00 0.00 179.24 177.36 3h5j h GLN 23 N 0.00 0.46 -0.66 3.56 4.20 -1.56 -2.00 115.11 119.12 3h5j h GLN 23 Ca -0.00 -0.79 -0.06 0.00 0.06 0.00 0.00 58.65 57.86 3h5j h GLN 23 Cb 0.42 0.29 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 3h5j h GLN 23 CO 0.02 1.38 0.18 0.82 -0.67 0.00 0.00 178.83 180.55 3h5j h ILE 24 N 0.06 1.26 -1.80 2.54 2.04 -0.72 -3.29 117.51 117.59 3h5j h ILE 24 Ca -0.28 -0.91 -0.17 0.00 1.00 0.00 0.00 64.86 64.49 3h5j h ILE 24 Cb 2.08 0.60 -0.29 0.00 -0.74 0.00 0.00 36.82 38.47 3h5j h ILE 24 CO 0.22 0.35 -0.51 -0.51 0.00 0.00 0.00 178.15 177.70 3h5j s ILE 25 N -5.34 -0.61 0.44 -0.67 2.07 0.29 -0.58 121.20 116.79 3h5j s ILE 25 Ca -0.12 -0.20 -0.24 0.00 -1.41 0.00 0.00 60.65 58.67 3h5j s ILE 25 Cb 0.14 -0.91 -0.09 0.00 0.13 0.00 0.00 42.46 41.72 3h5j s ILE 25 CO 0.83 -0.22 1.17 -2.65 -1.91 0.00 0.00 174.94 172.16 3h5j n PRO 26 N 5.36 1.65 -0.37 3.50 -0.02 -0.75 -4.23 135.00 140.15 3h5j n PRO 26 Ca -0.01 0.59 0.30 0.00 -2.02 0.00 0.00 63.50 62.35 3h5j n PRO 26 Cb 0.50 -2.27 0.60 0.00 -0.02 0.00 0.00 33.50 32.30 3h5j n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5j h ALA 27 N 1.75 2.57 0.00 3.55 0.00 -1.90 -0.21 119.26 125.01 3h5j h ALA 27 Ca -0.47 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3h5j h ALA 27 Cb 1.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3h5j h ALA 27 CO 0.58 -1.03 0.00 -0.39 0.00 0.00 0.00 179.25 178.41 3h5j h VAL 28 N 0.23 0.00 -0.41 0.00 -1.51 -1.96 0.48 116.25 113.08 3h5j h VAL 28 Ca 0.66 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 3h5j h VAL 28 Cb 2.00 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 3h5j h VAL 28 CO -0.28 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.55 3h5j n PHE 29 N -2.51 0.53 -0.84 5.19 3.72 -0.09 -4.46 117.46 119.00 3h5j n PHE 29 Ca 0.01 -0.27 0.03 0.00 -0.05 0.00 0.00 57.45 57.17 3h5j n PHE 29 Cb 0.19 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.78 3h5j n PHE 29 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3h5j n LEU 30 N 1.14 1.48 0.06 4.37 4.77 0.16 -4.49 117.00 124.50 3h5j n LEU 30 Ca 0.19 -1.89 -0.07 0.00 -0.03 0.00 0.00 56.01 54.21 3h5j n LEU 30 Cb 0.51 -0.15 0.09 0.00 -2.33 0.00 0.00 43.42 41.54 3h5j n LEU 30 CO 0.14 0.45 0.44 0.11 -1.33 0.00 0.00 177.39 177.21 3h5j h LYS 31 N 0.00 0.33 -7.20 3.23 1.79 -1.78 -3.46 116.57 109.47 3h5j h LYS 31 Ca 0.00 -0.23 -0.48 0.00 -2.18 0.00 0.00 60.65 57.76 3h5j h LYS 31 Cb 0.89 0.04 0.03 0.00 -1.58 0.00 0.00 32.23 31.61 3h5j h LYS 31 CO 0.00 0.85 0.38 -0.98 -1.08 0.00 0.00 179.45 178.62 3h5j s ARG 32 N -3.75 3.77 -0.03 3.15 1.70 -1.26 -4.94 118.95 117.59 3h5j s ARG 32 Ca -0.05 1.00 0.13 0.00 -0.47 0.00 0.00 55.73 56.35 3h5j s ARG 32 Cb 0.11 -2.11 0.39 0.00 -0.57 0.00 0.00 34.95 32.78 3h5j s ARG 32 CO 0.81 -0.42 1.33 1.33 -1.08 0.00 0.00 175.30 177.27 3h5j n VAL 33 N -1.76 1.22 -2.66 4.99 0.24 -1.26 -4.98 118.33 114.12 3h5j n VAL 33 Ca 0.07 -1.13 -0.23 0.00 -2.04 0.00 0.00 64.34 61.01 3h5j n VAL 33 Cb 0.54 0.38 0.09 0.00 -1.47 0.00 0.00 33.84 33.38 3h5j n VAL 33 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3h5j s THR 34 N -1.29 2.18 -0.31 3.34 -4.23 -1.26 -5.03 115.64 109.04 3h5j s THR 34 Ca 0.30 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 60.17 3h5j s THR 34 Cb 0.17 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.51 3h5j s THR 34 CO 0.17 0.00 0.55 0.54 -0.54 0.00 0.00 174.62 175.34 3h5j n ARG 35 N -2.70 -0.22 -1.38 3.99 1.74 -1.26 -5.04 116.66 111.79 3h5j n ARG 35 Ca 0.15 -0.62 -0.33 0.00 -0.77 0.00 0.00 57.85 56.28 3h5j n ARG 35 Cb 0.61 -1.02 0.09 0.00 -1.02 0.00 0.00 32.46 31.11 3h5j n ARG 35 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3h5j s THR 36 N -0.28 2.72 -0.03 0.55 -4.23 -1.26 -4.85 115.64 108.26 3h5j s THR 36 Ca 0.03 0.31 -0.40 0.00 -1.18 0.00 0.00 61.69 60.44 3h5j s THR 36 Cb 0.02 -2.76 -0.20 0.00 1.34 0.00 0.00 72.50 70.91 3h5j s THR 36 CO 0.04 -0.24 1.11 0.61 -0.54 0.00 0.00 174.62 175.60 3h5j n GLY 37 N -0.19 -0.22 1.09 3.99 0.00 -1.26 -4.91 105.19 103.68 3h5j n GLY 37 Ca 0.11 0.78 0.08 0.00 0.00 0.00 0.00 46.02 46.99 3h5j n GLY 37 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h5j n PHE 38 N 1.71 0.91 -0.12 1.61 3.01 -1.26 -4.65 117.46 118.67 3h5j n PHE 38 Ca 0.21 -0.57 0.12 0.00 1.01 0.00 0.00 57.45 58.22 3h5j n PHE 38 Cb 0.07 -0.11 0.48 0.00 -0.01 0.00 0.00 39.48 39.92 3h5j n PHE 38 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3h5j h GLU 39 N 3.09 0.44 0.00 -1.08 9.09 -1.84 -1.31 114.58 122.97 3h5j h GLU 39 Ca 0.00 -0.03 -0.05 0.00 0.05 0.00 0.00 59.36 59.33 3h5j h GLU 39 Cb 1.07 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 28.06 3h5j h GLU 39 CO 0.09 0.29 -0.23 -0.44 0.05 0.00 0.00 179.01 178.77 3h5j h ASP 40 N 0.46 0.00 1.91 3.06 5.19 -1.92 -2.76 116.42 122.36 3h5j h ASP 40 Ca 0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3h5j h ASP 40 Cb 0.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.12 3h5j h ASP 40 CO -0.10 0.23 0.00 1.23 -3.12 0.00 0.00 179.24 177.49 3h5j h GLY 41 N 2.35 0.00 -5.36 2.75 0.00 -1.59 -3.41 103.07 97.81 3h5j h GLY 41 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.77 3h5j h GLY 41 CO 0.03 0.00 1.15 -0.10 0.00 0.00 0.00 176.54 177.62 3h5j n LEU 42 N -3.07 3.92 -2.79 3.11 7.94 -1.04 -1.64 117.00 123.42 3h5j n LEU 42 Ca 0.04 0.95 -0.17 0.00 -1.11 0.00 0.00 56.01 55.71 3h5j n LEU 42 Cb 0.51 -1.49 -0.00 0.00 0.53 0.00 0.00 43.42 42.97 3h5j n LEU 42 CO 0.33 0.11 -0.11 0.49 -1.11 0.00 0.00 177.39 177.11 3h5j n PHE 43 N 6.68 -1.58 0.13 1.96 3.72 0.25 -4.81 117.46 123.81 3h5j n PHE 43 Ca 0.20 0.20 0.02 0.00 -0.05 0.00 0.00 57.45 57.82 3h5j n PHE 43 Cb 0.37 -3.06 0.37 0.00 -0.94 0.00 0.00 39.48 36.21 3h5j n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h5j h ALA 44 N 0.99 1.45 0.23 4.37 0.00 -1.53 -0.58 119.26 124.18 3h5j h ALA 44 Ca -0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3h5j h ALA 44 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3h5j h ALA 44 CO 0.44 0.39 -0.11 0.78 0.00 0.00 0.00 179.25 180.75 3h5j h GLY 45 N 0.84 -0.33 2.00 0.00 0.00 -1.87 -3.10 103.07 100.61 3h5j h GLY 45 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3h5j h GLY 45 CO 0.03 -0.12 -0.15 1.49 0.00 0.00 0.00 176.54 177.79 3h5j h TRP 46 N -0.52 0.00 0.00 5.60 6.55 -1.68 -2.05 115.95 123.85 3h5j h TRP 46 Ca -0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.81 3h5j h TRP 46 Cb 0.39 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.69 3h5j h TRP 46 CO -0.00 0.15 0.00 0.54 -1.05 0.00 0.00 178.44 178.07 3h5j n ARG 47 N -4.04 0.28 0.26 0.49 1.74 -0.31 -2.66 116.66 112.42 3h5j n ARG 47 Ca -0.02 0.11 0.12 0.00 -0.77 0.00 0.00 57.85 57.29 3h5j n ARG 47 Cb 0.23 -1.50 0.73 0.00 -1.02 0.00 0.00 32.46 30.90 3h5j n ARG 47 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3h5j h SER 48 N 0.00 0.00 -3.35 0.55 0.02 -1.42 -3.41 113.55 105.94 3h5j h SER 48 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 3h5j h SER 48 Cb 0.15 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.61 3h5j h SER 48 CO 0.00 0.11 0.29 -0.62 -1.14 0.00 0.00 176.83 175.47 3h5j s ASP 49 N -6.21 6.83 0.64 3.07 -1.08 -1.09 -4.93 116.67 113.91 3h5j s ASP 49 Ca -0.03 1.01 0.42 0.00 -0.52 0.00 0.00 52.55 53.44 3h5j s ASP 49 Cb 0.13 -2.41 2.23 0.00 -1.46 0.00 0.00 42.92 41.42 3h5j s ASP 49 CO 0.59 -0.36 2.30 1.55 0.52 0.00 0.00 175.17 179.77 3h5j h PRO 50 N 7.44 0.00 -0.01 4.34 0.13 -1.91 -1.22 132.00 140.77 3h5j h PRO 50 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3h5j h PRO 50 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3h5j h PRO 50 CO 0.81 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.48 3h5j n ALA 51 N -2.09 2.77 -1.76 -0.56 0.00 -1.26 -4.59 120.51 113.03 3h5j n ALA 51 Ca -0.02 -0.44 -0.41 0.00 0.00 0.00 0.00 53.44 52.57 3h5j n ALA 51 Cb 0.11 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3h5j n ALA 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h5j n PHE 52 N -0.10 2.79 -0.35 0.00 7.35 -0.46 -4.89 117.46 121.78 3h5j n PHE 52 Ca 0.16 0.47 0.09 0.00 -0.76 0.00 0.00 57.45 57.41 3h5j n PHE 52 Cb 0.36 -2.49 0.27 0.00 0.35 0.00 0.00 39.48 37.97 3h5j n PHE 52 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 3h5j h VAL 53 N 2.74 0.85 0.00 -2.13 3.04 -1.90 0.40 116.25 119.24 3h5j h VAL 53 Ca -0.50 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 3h5j h VAL 53 Cb 1.26 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 3h5j h VAL 53 CO 0.63 0.17 0.00 -0.11 -1.01 0.00 0.00 177.57 177.25 3h5j n LEU 54 N -4.66 0.17 -0.36 3.16 7.94 -1.26 -1.84 117.00 120.15 3h5j n LEU 54 Ca 0.20 0.54 0.13 0.00 -1.11 0.00 0.00 56.01 55.77 3h5j n LEU 54 Cb 0.43 -0.52 0.31 0.00 0.53 0.00 0.00 43.42 44.18 3h5j n LEU 54 CO 0.26 -0.32 0.62 0.59 -1.11 0.00 0.00 177.39 177.42 3h5j n ASN 55 N -1.68 1.39 -4.78 1.96 3.02 0.13 -3.53 115.26 111.76 3h5j n ASN 55 Ca 0.03 -1.16 -0.38 0.00 -0.03 0.00 0.00 54.58 53.05 3h5j n ASN 55 Cb 0.19 0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.48 3h5j n ASN 55 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3h5j s LEU 56 N -2.40 4.37 0.17 3.41 1.43 -0.76 -4.87 118.68 120.03 3h5j s LEU 56 Ca 0.25 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 53.86 3h5j s LEU 56 Cb 0.19 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.78 3h5j s LEU 56 CO 0.49 0.19 1.32 -0.55 0.23 0.00 0.00 176.35 178.03 3h5j s SER 57 N -0.29 6.90 -0.01 2.29 0.15 -1.26 -0.89 113.70 120.59 3h5j s SER 57 Ca 0.22 2.35 0.22 0.00 0.70 0.00 0.00 55.95 59.44 3h5j s SER 57 Cb -0.15 -2.60 0.64 0.00 -1.71 0.00 0.00 66.02 62.19 3h5j s SER 57 CO 0.10 -0.55 1.53 -0.81 1.20 0.00 0.00 173.24 174.72 3h5j n PRO 58 N 3.01 2.83 0.25 5.44 -0.04 -1.26 -4.91 135.00 140.32 3h5j n PRO 58 Ca 0.07 -2.66 0.17 0.00 -0.04 0.00 0.00 63.50 61.05 3h5j n PRO 58 Cb 0.43 -1.58 0.89 0.00 -0.04 0.00 0.00 33.50 33.19 3h5j n PRO 58 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3h5j h PHE 59 N 4.15 0.00 0.00 0.54 0.04 -1.29 -1.09 116.94 119.30 3h5j h PHE 59 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3h5j h PHE 59 Cb 1.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 3h5j h PHE 59 CO 0.50 0.00 -0.01 0.38 -0.60 0.00 0.00 178.31 178.59 3h5j h ASP 60 N 0.00 0.00 -0.45 2.17 2.03 -1.18 0.25 116.42 119.23 3h5j h ASP 60 Ca 0.05 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.30 3h5j h ASP 60 Cb 0.30 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.77 3h5j h ASP 60 CO -0.00 0.01 0.04 0.54 -1.03 0.00 0.00 179.24 178.80 3h5j n ARG 61 N -3.14 3.65 -2.01 4.15 1.74 -0.41 -5.03 116.66 115.60 3h5j n ARG 61 Ca -0.02 -3.02 -0.36 0.00 -0.77 0.00 0.00 57.85 53.68 3h5j n ARG 61 Cb 0.13 -2.05 0.03 0.00 -1.02 0.00 0.00 32.46 29.55 3h5j n ARG 61 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3h5j s GLY 62 N -1.45 2.76 0.00 -0.13 0.00 0.07 -4.66 107.32 103.92 3h5j s GLY 62 Ca 0.49 1.04 0.00 0.00 0.00 0.00 0.00 44.72 46.25 3h5j s GLY 62 CO 0.11 1.45 0.14 -1.14 0.00 0.00 0.00 173.10 173.66 3h5j n SER 63 N -1.45 0.28 -3.97 1.64 3.41 -0.69 -4.32 113.62 108.52 3h5j n SER 63 Ca 0.13 -0.89 -0.30 0.00 -0.26 0.00 0.00 58.87 57.54 3h5j n SER 63 Cb 0.49 0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 64.32 3h5j n SER 63 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h5j s VAL 64 N -0.04 1.60 -0.21 -3.33 1.01 -0.90 -0.90 120.40 117.63 3h5j s VAL 64 Ca 0.00 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 60.65 3h5j s VAL 64 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3h5j s VAL 64 CO 0.00 -0.01 0.35 -0.22 0.00 0.00 0.00 175.10 175.22 3h5j s LEU 65 N 1.38 4.15 -0.37 3.92 2.96 -0.24 -0.43 118.68 130.04 3h5j s LEU 65 Ca -0.05 0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 54.25 3h5j s LEU 65 Cb -0.18 -2.44 0.06 0.00 0.50 0.00 0.00 46.19 44.13 3h5j s LEU 65 CO -0.07 -0.04 0.16 -0.69 -1.32 0.00 0.00 176.35 174.39 3h5j s VAL 66 N 1.22 3.77 0.36 1.68 1.01 0.08 -0.10 120.40 128.42 3h5j s VAL 66 Ca 0.17 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.84 3h5j s VAL 66 Cb -0.14 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3h5j s VAL 66 CO 0.07 -0.36 0.08 0.00 0.00 0.00 0.00 175.10 174.89 3h5j s ALA 67 N 1.35 3.35 1.12 5.51 0.00 -0.00 -0.64 121.76 132.45 3h5j s ALA 67 Ca 0.01 -1.98 -0.18 0.00 0.00 0.00 0.00 51.96 49.81 3h5j s ALA 67 Cb -0.21 -0.43 0.25 0.00 0.00 0.00 0.00 23.12 22.73 3h5j s ALA 67 CO 0.01 0.00 1.15 0.20 0.00 0.00 0.00 175.76 177.13 3h5j s GLY 68 N -3.78 1.62 0.63 0.00 0.00 -0.52 -4.41 107.32 100.85 3h5j s GLY 68 Ca 0.37 -0.94 -0.18 0.00 0.00 0.00 0.00 44.72 43.97 3h5j s GLY 68 CO 0.21 -0.11 1.28 2.56 0.00 0.00 0.00 173.10 177.04 3h5j s PRO 69 N -5.47 2.68 -0.96 2.90 0.04 -1.26 -3.67 135.00 129.26 3h5j s PRO 69 Ca 0.71 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.72 3h5j s PRO 69 Cb -0.09 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3h5j s PRO 69 CO 0.55 -1.49 0.84 -3.47 0.04 0.00 0.00 177.00 173.47 3h5j n ASP 70 N -1.77 -4.77 -4.73 6.66 2.03 0.75 -0.41 116.55 114.31 3h5j n ASP 70 Ca 0.15 -0.39 -0.42 0.00 0.52 0.00 0.00 54.79 54.65 3h5j n ASP 70 Cb 0.48 -3.77 -0.03 0.00 -0.72 0.00 0.00 41.12 37.09 3h5j n ASP 70 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3h5j s PHE 71 N -3.23 3.04 -0.04 -0.67 5.36 -1.05 -2.87 117.98 118.51 3h5j s PHE 71 Ca 0.37 0.84 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 3h5j s PHE 71 Cb -0.16 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 3h5j s PHE 71 CO 0.52 -3.01 0.00 0.41 -1.46 0.00 0.00 175.22 171.68 3h5j n GLY 72 N 2.94 0.41 3.63 13.12 0.00 0.60 -1.47 105.19 124.43 3h5j n GLY 72 Ca 0.10 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 3h5j n GLY 72 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3h5j n THR 73 N -2.99 1.36 0.00 2.61 5.66 -1.14 -4.32 114.28 115.47 3h5j n THR 73 Ca -0.00 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 3h5j n THR 73 Cb 0.01 -1.03 0.00 0.00 -1.55 0.00 0.00 70.33 67.76 3h5j n THR 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h5j n GLY 74 N 0.75 3.50 3.27 1.09 0.00 -1.26 -3.77 105.19 108.77 3h5j n GLY 74 Ca 0.12 0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3h5j n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h5j n SER 75 N 5.32 3.66 -4.77 1.61 3.41 -1.26 -4.68 113.62 116.91 3h5j n SER 75 Ca 0.00 -2.79 -0.36 0.00 -0.26 0.00 0.00 58.87 55.46 3h5j n SER 75 Cb 0.00 -1.58 0.01 0.00 -0.26 0.00 0.00 64.21 62.38 3h5j n SER 75 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3h5j s SER 76 N 4.73 5.72 0.06 4.04 0.15 -1.26 -4.83 113.70 122.30 3h5j s SER 76 Ca 0.57 2.27 0.08 0.00 0.70 0.00 0.00 55.95 59.56 3h5j s SER 76 Cb 0.08 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 3h5j s SER 76 CO 0.06 -1.23 -0.21 -0.60 1.20 0.00 0.00 173.24 172.47 3h5j s ARG 77 N -3.14 1.34 0.61 5.44 3.52 -1.26 -4.99 118.95 120.47 3h5j s ARG 77 Ca 0.71 -0.99 0.30 0.00 -0.13 0.00 0.00 55.73 55.62 3h5j s ARG 77 Cb -0.27 -1.49 1.66 0.00 -1.56 0.00 0.00 34.95 33.30 3h5j s ARG 77 CO 0.31 0.37 2.03 1.05 -0.81 0.00 0.00 175.30 178.25 3h5j h GLU 78 N 4.69 0.00 -0.03 5.12 4.11 -1.98 -0.39 114.58 126.11 3h5j h GLU 78 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 3h5j h GLU 78 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3h5j h GLU 78 CO 0.43 0.00 -0.04 0.45 0.07 0.00 0.00 179.01 179.92 3h5j h HIS 79 N 0.00 0.04 -0.43 2.06 3.86 -1.98 -1.15 115.15 117.55 3h5j h HIS 79 Ca 0.09 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3h5j h HIS 79 Cb 0.66 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 3h5j h HIS 79 CO 0.00 0.08 0.26 0.00 0.86 0.00 0.00 177.93 179.13 3h5j h ALA 80 N 1.92 0.55 -0.42 2.45 0.00 -1.41 0.15 119.26 122.49 3h5j h ALA 80 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3h5j h ALA 80 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3h5j h ALA 80 CO 0.01 0.04 0.20 0.28 0.00 0.00 0.00 179.25 179.78 3h5j h VAL 81 N 0.57 1.18 -0.53 0.00 2.07 -1.40 -2.72 116.25 115.42 3h5j h VAL 81 Ca 0.15 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3h5j h VAL 81 Cb 0.01 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3h5j h VAL 81 CO -0.03 0.20 0.35 -0.50 0.02 0.00 0.00 177.57 177.61 3h5j h TRP 82 N 0.54 0.66 -0.35 1.57 6.55 -1.06 -0.51 115.95 123.35 3h5j h TRP 82 Ca 0.14 0.02 0.03 0.00 0.95 0.00 0.00 58.89 60.03 3h5j h TRP 82 Cb 0.14 -0.22 -0.03 0.00 -0.86 0.00 0.00 29.16 28.18 3h5j h TRP 82 CO -0.01 0.41 0.16 0.00 -1.05 0.00 0.00 178.44 177.96 3h5j h ALA 83 N 1.20 0.42 0.31 1.49 0.00 -0.91 0.26 119.26 122.02 3h5j h ALA 83 Ca 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h5j h ALA 83 Cb -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3h5j h ALA 83 CO -0.05 -0.21 -0.25 -0.07 0.00 0.00 0.00 179.25 178.68 3h5j h LEU 84 N 0.34 -0.64 -0.57 0.00 3.38 -1.19 -2.17 115.31 114.46 3h5j h LEU 84 Ca 0.15 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3h5j h LEU 84 Cb 0.07 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3h5j h LEU 84 CO -0.11 -0.37 0.37 0.24 0.09 0.00 0.00 178.44 178.66 3h5j h MET 85 N -0.56 0.76 -0.39 1.13 2.86 -0.91 -0.58 114.93 117.23 3h5j h MET 85 Ca -0.02 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3h5j h MET 85 Cb 0.49 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3h5j h MET 85 CO -0.02 0.51 0.15 -0.44 1.06 0.00 0.00 176.91 178.18 3h5j h ASP 86 N 0.78 0.50 0.43 1.22 3.32 -0.42 -1.25 116.42 120.99 3h5j h ASP 86 Ca 0.21 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3h5j h ASP 86 Cb -0.08 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3h5j h ASP 86 CO -0.04 0.46 -0.36 0.22 -1.72 0.00 0.00 179.24 177.80 3h5j h TYR 87 N 0.55 0.00 0.00 4.55 3.20 -1.15 -3.43 116.97 120.68 3h5j h TYR 87 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3h5j h TYR 87 Cb 0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3h5j h TYR 87 CO 0.01 0.36 0.00 0.41 -1.64 0.00 0.00 178.16 177.29 3h5j n GLY 88 N -0.38 0.90 3.75 1.82 0.00 -0.47 -4.98 105.19 105.82 3h5j n GLY 88 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3h5j n GLY 88 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h5j s PHE 89 N -1.83 3.23 -0.06 1.61 0.08 -0.26 -4.50 117.98 116.25 3h5j s PHE 89 Ca 0.00 1.29 0.03 0.00 0.12 0.00 0.00 56.93 58.37 3h5j s PHE 89 Cb 0.00 -3.60 -0.04 0.00 -0.57 0.00 0.00 43.02 38.81 3h5j s PHE 89 CO 0.00 -1.80 0.09 0.54 -0.10 0.00 0.00 175.22 173.95 3h5j n ARG 90 N 2.13 3.06 -3.89 0.44 5.12 -0.08 -3.99 116.66 119.44 3h5j n ARG 90 Ca 0.04 -0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.81 3h5j n ARG 90 Cb 0.43 -0.85 -0.15 0.00 -1.16 0.00 0.00 32.46 30.73 3h5j n ARG 90 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3h5j s VAL 91 N -1.73 0.06 -0.06 1.55 1.01 -1.09 -1.93 120.40 118.21 3h5j s VAL 91 Ca -0.00 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.07 3h5j s VAL 91 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.29 3h5j s VAL 91 CO 0.11 0.05 -0.24 -0.69 0.00 0.00 0.00 175.10 174.33 3h5j s VAL 92 N 0.35 1.99 -0.10 2.92 1.01 0.11 -1.08 120.40 125.60 3h5j s VAL 92 Ca -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3h5j s VAL 92 Cb -0.05 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3h5j s VAL 92 CO -0.01 0.55 -0.15 -0.63 0.00 0.00 0.00 175.10 174.87 3h5j s ILE 93 N -0.09 2.92 0.16 2.22 1.01 0.86 -0.74 121.20 127.55 3h5j s ILE 93 Ca -0.05 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 3h5j s ILE 93 Cb -0.14 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 40.18 3h5j s ILE 93 CO 0.04 0.55 0.48 -0.55 0.00 0.00 0.00 174.94 175.46 3h5j s SER 94 N 0.02 -0.31 0.00 3.58 0.15 -1.08 -0.82 113.70 115.24 3h5j s SER 94 Ca -0.05 -0.31 0.28 0.00 0.70 0.00 0.00 55.95 56.57 3h5j s SER 94 Cb -0.14 0.53 1.05 0.00 -1.71 0.00 0.00 66.02 65.75 3h5j s SER 94 CO 0.04 -0.94 1.78 -1.54 1.20 0.00 0.00 173.24 173.78 3h5j n SER 95 N -0.29 0.22 -3.65 5.45 3.41 -1.20 -1.36 113.62 116.19 3h5j n SER 95 Ca -0.14 0.07 -0.08 0.00 -0.26 0.00 0.00 58.87 58.46 3h5j n SER 95 Cb 0.64 -0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 64.30 3h5j n SER 95 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3h5j s ARG 96 N -2.89 0.64 0.01 4.33 3.52 -1.26 -4.69 118.95 118.61 3h5j s ARG 96 Ca 0.17 1.11 -0.00 0.00 -0.13 0.00 0.00 55.73 56.88 3h5j s ARG 96 Cb 0.19 0.11 -0.04 0.00 -1.56 0.00 0.00 34.95 33.65 3h5j s ARG 96 CO 0.56 -0.15 0.09 -0.06 -0.81 0.00 0.00 175.30 174.94 3h5j s PHE 97 N 1.52 3.30 0.22 5.12 0.08 -1.26 -0.18 117.98 126.78 3h5j s PHE 97 Ca -0.09 0.21 -0.32 0.00 0.12 0.00 0.00 56.93 56.85 3h5j s PHE 97 Cb -0.06 -1.73 -0.14 0.00 -0.57 0.00 0.00 43.02 40.52 3h5j s PHE 97 CO -0.17 0.56 1.31 0.41 -0.10 0.00 0.00 175.22 177.22 3h5j n GLY 98 N 1.06 0.49 0.34 4.36 0.00 -0.54 -4.82 105.19 106.09 3h5j n GLY 98 Ca -0.12 0.50 -0.03 0.00 0.00 0.00 0.00 46.02 46.37 3h5j n GLY 98 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3h5j h ASP 99 N 3.84 1.02 -0.34 1.61 3.58 -1.89 -0.65 116.42 123.58 3h5j h ASP 99 Ca -0.44 -0.03 -0.15 0.00 0.42 0.00 0.00 57.03 56.83 3h5j h ASP 99 Cb 1.30 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 3h5j h ASP 99 CO 0.73 0.74 -0.39 0.40 -2.88 0.00 0.00 179.24 177.84 3h5j h ILE 100 N 1.21 1.28 -0.45 2.25 2.04 -1.89 -2.87 117.51 119.07 3h5j h ILE 100 Ca 0.33 -1.57 0.08 0.00 1.00 0.00 0.00 64.86 64.70 3h5j h ILE 100 Cb -0.14 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3h5j h ILE 100 CO -0.07 0.52 0.07 0.15 0.00 0.00 0.00 178.15 178.82 3h5j h PHE 101 N 0.66 0.11 -0.29 1.37 3.57 -1.71 -0.67 116.94 119.99 3h5j h PHE 101 Ca 0.05 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.63 3h5j h PHE 101 Cb 0.98 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 3h5j h PHE 101 CO 0.07 -0.02 -0.03 -0.09 -2.23 0.00 0.00 178.31 176.01 3h5j h ARG 102 N 0.20 0.05 -0.28 1.11 2.43 -1.03 0.16 114.38 117.02 3h5j h ARG 102 Ca 0.22 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 3h5j h ARG 102 Cb 0.30 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3h5j h ARG 102 CO -0.31 0.03 0.02 0.78 -1.51 0.00 0.00 179.97 178.99 3h5j h GLY 103 N 0.05 0.51 1.31 2.80 0.00 -1.28 -2.75 103.07 103.70 3h5j h GLY 103 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3h5j h GLY 103 CO -0.26 0.33 0.40 3.43 0.00 0.00 0.00 176.54 180.43 3h5j h ASN 104 N 0.27 0.81 0.30 0.19 2.35 -0.83 -2.38 115.58 116.29 3h5j h ASN 104 Ca 0.08 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3h5j h ASN 104 Cb 0.38 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3h5j h ASN 104 CO 0.01 0.64 -0.26 0.00 -1.65 0.00 0.00 177.43 176.17 3h5j h ALA 105 N 1.50 -0.56 0.00 -0.83 0.00 -0.53 -2.04 119.26 116.80 3h5j h ALA 105 Ca 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h5j h ALA 105 Cb -0.02 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h5j h ALA 105 CO -0.04 -0.84 -0.07 0.78 0.00 0.00 0.00 179.25 179.07 3h5j h GLY 106 N -0.57 0.00 1.80 0.00 0.00 -1.31 -0.68 103.07 102.31 3h5j h GLY 106 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3h5j h GLY 106 CO -0.03 0.00 -0.03 0.28 0.00 0.00 0.00 176.54 176.75 3h5j n LYS 107 N -4.28 0.13 -0.01 4.80 5.02 -0.91 -3.66 118.16 119.25 3h5j n LYS 107 Ca -0.03 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3h5j n LYS 107 Cb 0.15 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 3h5j n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h5j n ALA 108 N -1.43 2.07 -0.11 7.82 0.00 -0.62 -4.34 120.51 123.89 3h5j n ALA 108 Ca 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3h5j n ALA 108 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3h5j n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5j n GLY 109 N -0.39 0.73 3.62 0.00 0.00 -0.93 -4.96 105.19 103.27 3h5j n GLY 109 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3h5j n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h5j s LEU 110 N 0.00 3.89 -0.29 0.99 2.96 -0.36 -4.98 118.68 120.89 3h5j s LEU 110 Ca 0.00 0.06 -0.25 0.00 -0.22 0.00 0.00 54.13 53.72 3h5j s LEU 110 Cb 0.00 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.68 3h5j s LEU 110 CO 0.00 0.11 0.86 -0.22 -1.32 0.00 0.00 176.35 175.78 3h5j s LEU 111 N 0.78 4.06 -0.60 -0.68 2.96 -0.81 -3.20 118.68 121.19 3h5j s LEU 111 Ca 0.05 0.84 -0.12 0.00 -0.22 0.00 0.00 54.13 54.68 3h5j s LEU 111 Cb -0.13 -3.21 0.15 0.00 0.50 0.00 0.00 46.19 43.50 3h5j s LEU 111 CO 0.02 -0.65 0.52 0.00 -1.32 0.00 0.00 176.35 174.91 3h5j s ALA 112 N 3.09 3.68 -0.33 5.97 0.00 -1.26 -0.72 121.76 132.19 3h5j s ALA 112 Ca 0.36 -2.80 -0.15 0.00 0.00 0.00 0.00 51.96 49.37 3h5j s ALA 112 Cb -0.14 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3h5j s ALA 112 CO 0.12 -2.06 0.38 0.00 0.00 0.00 0.00 175.76 174.20 3h5j s ALA 113 N 1.03 3.51 -0.24 0.00 0.00 0.09 -4.79 121.76 121.35 3h5j s ALA 113 Ca 0.09 -1.10 -0.22 0.00 0.00 0.00 0.00 51.96 50.72 3h5j s ALA 113 Cb -0.23 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 3h5j s ALA 113 CO -0.02 -0.99 0.71 -2.00 0.00 0.00 0.00 175.76 173.47 3h5j s GLU 114 N 2.07 4.15 -0.03 0.00 2.12 -0.62 -2.63 118.70 123.76 3h5j s GLU 114 Ca 0.13 0.72 0.05 0.00 0.36 0.00 0.00 54.97 56.23 3h5j s GLU 114 Cb -0.16 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.58 3h5j s GLU 114 CO 0.11 -0.44 -0.19 0.08 -0.54 0.00 0.00 175.26 174.28 3h5j s VAL 115 N 2.60 1.51 0.44 3.70 1.01 -0.47 -0.60 120.40 128.61 3h5j s VAL 115 Ca 0.30 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 3h5j s VAL 115 Cb -0.15 -1.28 -0.10 0.00 0.00 0.00 0.00 36.38 34.85 3h5j s VAL 115 CO 0.08 0.43 1.07 0.00 0.00 0.00 0.00 175.10 176.68 3h5j n ALA 116 N 2.85 0.47 -0.17 5.51 0.00 -1.26 -3.22 120.51 124.69 3h5j n ALA 116 Ca -0.16 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3h5j n ALA 116 Cb 0.53 -2.13 0.25 0.00 0.00 0.00 0.00 19.45 18.10 3h5j n ALA 116 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3h5j h GLN 117 N 1.54 0.89 -0.19 0.00 5.75 -1.94 0.89 115.11 122.05 3h5j h GLN 117 Ca -0.46 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 57.94 3h5j h GLN 117 Cb 1.33 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.68 3h5j h GLN 117 CO 0.57 0.64 0.02 -0.44 -2.65 0.00 0.00 178.83 176.97 3h5j h ASP 118 N 0.91 0.24 0.46 -0.69 3.32 -2.00 -0.19 116.42 118.47 3h5j h ASP 118 Ca 0.23 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 57.05 3h5j h ASP 118 Cb -0.01 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3h5j h ASP 118 CO -0.04 0.27 -0.89 0.44 -1.72 0.00 0.00 179.24 177.30 3h5j h ASP 119 N 0.27 0.39 -0.63 6.45 3.32 -1.24 -2.25 116.42 122.73 3h5j h ASP 119 Ca 0.06 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 56.84 3h5j h ASP 119 Cb 0.15 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3h5j h ASP 119 CO 0.00 1.10 0.39 0.58 -1.72 0.00 0.00 179.24 179.59 3h5j h VAL 120 N 0.17 1.07 -0.56 -1.35 2.07 -0.44 -0.49 116.25 116.73 3h5j h VAL 120 Ca -0.06 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3h5j h VAL 120 Cb 1.52 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3h5j h VAL 120 CO 0.15 0.14 0.34 -0.33 0.02 0.00 0.00 177.57 177.89 3h5j h GLU 121 N 0.76 0.76 -0.34 1.57 4.39 -0.93 0.81 114.58 121.59 3h5j h GLU 121 Ca 0.25 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 3h5j h GLU 121 Cb 0.03 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3h5j h GLU 121 CO -0.11 0.54 0.20 1.25 -1.16 0.00 0.00 179.01 179.73 3h5j h LEU 122 N 0.76 0.42 -0.66 1.33 5.85 -1.11 -1.66 115.31 120.24 3h5j h LEU 122 Ca 0.20 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3h5j h LEU 122 Cb -0.03 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3h5j h LEU 122 CO -0.04 0.37 0.43 -0.07 -0.34 0.00 0.00 178.44 178.79 3h5j h LEU 123 N 0.44 0.74 -0.24 2.25 3.38 -0.46 -0.90 115.31 120.51 3h5j h LEU 123 Ca 0.12 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3h5j h LEU 123 Cb 0.04 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3h5j h LEU 123 CO -0.02 0.53 -0.06 -0.50 0.09 0.00 0.00 178.44 178.48 3h5j h TRP 124 N 0.87 -0.13 -0.69 1.13 6.55 -0.68 -1.40 115.95 121.62 3h5j h TRP 124 Ca 0.24 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.10 3h5j h TRP 124 Cb -0.08 0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 28.28 3h5j h TRP 124 CO -0.03 -0.10 0.40 0.87 -1.05 0.00 0.00 178.44 178.53 3h5j h LYS 125 N -0.00 0.94 -0.29 0.49 1.57 -0.71 0.37 116.57 118.93 3h5j h LYS 125 Ca 0.12 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3h5j h LYS 125 Cb 0.18 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3h5j h LYS 125 CO -0.25 0.68 0.18 -0.07 -0.57 0.00 0.00 179.45 179.42 3h5j h LEU 126 N 0.94 0.35 -0.30 2.94 3.38 -0.83 -2.12 115.31 119.66 3h5j h LEU 126 Ca 0.24 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 3h5j h LEU 126 Cb -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3h5j h LEU 126 CO -0.04 0.30 -0.79 0.40 0.09 0.00 0.00 178.44 178.40 3h5j h ILE 127 N 0.37 1.49 -0.27 1.22 1.08 -1.10 -2.30 117.51 118.00 3h5j h ILE 127 Ca 0.11 -2.77 -0.10 0.00 -0.39 0.00 0.00 64.86 61.71 3h5j h ILE 127 Cb 0.01 2.52 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 3h5j h ILE 127 CO -0.02 0.77 -0.23 -0.33 -0.69 0.00 0.00 178.15 177.65 3h5j h GLU 128 N 0.00 0.52 0.00 2.37 5.08 -0.84 -2.75 114.58 118.96 3h5j h GLU 128 Ca -0.01 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3h5j h GLU 128 Cb 1.46 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.68 3h5j h GLU 128 CO 0.10 0.72 -0.70 1.96 -1.00 0.00 0.00 179.01 180.09 3h5j h GLN 129 N 0.46 0.00 -2.19 2.33 7.50 -1.35 -3.37 115.11 118.49 3h5j h GLN 129 Ca 0.07 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.64 3h5j h GLN 129 Cb 0.66 0.00 -0.40 0.00 0.05 0.00 0.00 27.48 27.79 3h5j h GLN 129 CO 0.05 0.00 -0.86 0.43 -1.50 0.00 0.00 178.83 176.94 3h5j n SER 130 N -2.12 1.65 -4.69 1.46 7.64 -0.87 -5.10 113.62 111.60 3h5j n SER 130 Ca 0.03 -2.98 -0.44 0.00 1.01 0.00 0.00 58.87 56.49 3h5j n SER 130 Cb 0.44 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 3h5j n SER 130 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3h5j n PRO 131 N 1.38 2.31 0.00 1.43 -0.02 -1.04 -1.05 135.00 138.01 3h5j n PRO 131 Ca 0.25 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3h5j n PRO 131 Cb 0.47 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3h5j n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h5j n GLY 132 N 2.95 1.95 3.62 -1.23 0.00 -1.26 -4.83 105.19 106.39 3h5j n GLY 132 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 3h5j n GLY 132 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h5j n LEU 133 N 0.00 2.28 -4.82 0.99 7.94 -0.22 -4.76 117.00 118.41 3h5j n LEU 133 Ca 0.00 1.11 -0.33 0.00 -1.11 0.00 0.00 56.01 55.68 3h5j n LEU 133 Cb 0.00 -1.30 -0.07 0.00 0.53 0.00 0.00 43.42 42.58 3h5j n LEU 133 CO 0.00 -0.76 0.59 -1.61 -1.11 0.00 0.00 177.39 174.50 3h5j s GLU 134 N 0.43 4.22 -0.08 1.96 2.02 -1.26 -2.27 118.70 123.72 3h5j s GLU 134 Ca 0.79 1.03 0.03 0.00 0.02 0.00 0.00 54.97 56.84 3h5j s GLU 134 Cb -0.82 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.06 3h5j s GLU 134 CO 0.45 0.07 -0.18 0.42 0.02 0.00 0.00 175.26 176.04 3h5j s ILE 135 N -2.04 2.71 -0.14 -1.63 -1.09 -0.02 -4.43 121.20 114.56 3h5j s ILE 135 Ca 0.58 -0.82 -0.02 0.00 -2.23 0.00 0.00 60.65 58.16 3h5j s ILE 135 Cb -0.11 -2.06 -0.02 0.00 -1.58 0.00 0.00 42.46 38.69 3h5j s ILE 135 CO 0.16 0.56 -0.08 -0.89 -1.23 0.00 0.00 174.94 173.45 3h5j s THR 136 N -0.18 3.48 -0.21 2.92 2.01 -0.33 -1.84 115.64 121.49 3h5j s THR 136 Ca -0.01 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 3h5j s THR 136 Cb -0.13 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.89 3h5j s THR 136 CO 0.03 0.52 -0.09 0.00 -0.69 0.00 0.00 174.62 174.39 3h5j s ALA 137 N 0.25 2.67 -0.34 7.40 0.00 0.23 -0.85 121.76 131.11 3h5j s ALA 137 Ca -0.06 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.62 3h5j s ALA 137 Cb -0.15 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.45 3h5j s ALA 137 CO 0.04 -0.43 0.13 1.21 0.00 0.00 0.00 175.76 176.70 3h5j s ASN 138 N 1.41 5.39 0.19 0.00 3.84 -0.30 -1.26 114.94 124.22 3h5j s ASN 138 Ca 0.05 -1.04 0.05 0.00 0.21 0.00 0.00 52.86 52.14 3h5j s ASN 138 Cb -0.14 -1.91 0.09 0.00 -0.55 0.00 0.00 41.25 38.74 3h5j s ASN 138 CO -0.06 -0.32 1.45 0.25 -2.79 0.00 0.00 177.10 175.62 3h5j h LEU 139 N 8.27 0.17 -0.83 3.21 5.85 -1.40 0.46 115.31 131.04 3h5j h LEU 139 Ca -0.25 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 3h5j h LEU 139 Cb 1.09 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3h5j h LEU 139 CO 0.62 0.89 0.29 -0.61 -0.34 0.00 0.00 178.44 179.29 3h5j h GLN 140 N 0.08 1.15 -0.01 1.25 5.75 -1.91 -3.09 115.11 118.33 3h5j h GLN 140 Ca -0.03 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3h5j h GLN 140 Cb 1.38 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.75 3h5j h GLN 140 CO 0.12 0.94 -0.58 -0.25 -2.65 0.00 0.00 178.83 176.41 3h5j n ASP 141 N -4.27 1.47 -3.75 -0.69 8.00 -1.20 -4.99 116.55 111.12 3h5j n ASP 141 Ca 0.07 -1.17 -0.27 0.00 0.71 0.00 0.00 54.79 54.12 3h5j n ASP 141 Cb 0.20 0.53 0.02 0.00 -0.02 0.00 0.00 41.12 41.85 3h5j n ASP 141 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h5j n ARG 142 N -0.63 -2.55 -4.05 -1.24 1.74 0.12 -4.95 116.66 105.10 3h5j n ARG 142 Ca 0.08 0.49 -0.12 0.00 -0.77 0.00 0.00 57.85 57.53 3h5j n ARG 142 Cb 0.40 -4.50 -0.11 0.00 -1.02 0.00 0.00 32.46 27.23 3h5j n ARG 142 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3h5j s ILE 143 N -3.64 0.45 -0.17 0.55 -4.36 -0.98 -1.68 121.20 111.37 3h5j s ILE 143 Ca 0.25 -1.07 -0.03 0.00 -0.26 0.00 0.00 60.65 59.54 3h5j s ILE 143 Cb -0.09 -0.57 -0.02 0.00 1.25 0.00 0.00 42.46 43.04 3h5j s ILE 143 CO 0.86 -0.42 -0.05 -0.63 0.24 0.00 0.00 174.94 174.93 3h5j s ILE 144 N -1.47 3.64 -0.09 8.37 -1.09 0.37 -1.15 121.20 129.78 3h5j s ILE 144 Ca -0.11 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 57.91 3h5j s ILE 144 Cb -0.10 -2.60 -0.01 0.00 -1.58 0.00 0.00 42.46 38.18 3h5j s ILE 144 CO -0.00 0.48 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.08 3h5j s THR 145 N 0.61 2.27 -0.17 2.92 2.01 -0.03 -0.79 115.64 122.45 3h5j s THR 145 Ca -0.04 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 3h5j s THR 145 Cb -0.15 -1.87 0.05 0.00 0.01 0.00 0.00 72.50 70.55 3h5j s THR 145 CO 0.03 0.56 0.03 0.00 -0.69 0.00 0.00 174.62 174.54 3h5j s ALA 146 N 0.19 0.97 0.00 7.40 0.00 -0.38 -1.19 121.76 128.75 3h5j s ALA 146 Ca -0.13 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3h5j s ALA 146 Cb -0.16 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.85 3h5j s ALA 146 CO 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 175.76 174.79 3h5j n ALA 147 N 5.06 0.00 -0.52 0.00 0.00 -1.26 -1.14 120.51 122.65 3h5j n ALA 147 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.45 3h5j n ALA 147 Cb 0.48 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.25 3h5j n ALA 147 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h5j n THR 148 N 0.00 1.54 -3.26 0.00 -2.24 -1.26 -4.90 114.28 104.16 3h5j n THR 148 Ca 0.00 -1.16 -0.39 0.00 -2.27 0.00 0.00 64.05 60.23 3h5j n THR 148 Cb 0.00 0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 68.42 3h5j n THR 148 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h5j s VAL 149 N -1.57 5.11 -0.12 2.28 1.01 -0.29 -5.06 120.40 121.76 3h5j s VAL 149 Ca 0.47 0.94 0.02 0.00 0.00 0.00 0.00 61.98 63.42 3h5j s VAL 149 Cb 0.28 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 3h5j s VAL 149 CO 0.25 0.19 -0.20 -0.69 0.00 0.00 0.00 175.10 174.65 3h5j s VAL 150 N 1.56 2.38 -0.06 2.92 1.01 -1.26 -1.25 120.40 125.70 3h5j s VAL 150 Ca 0.24 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3h5j s VAL 150 Cb -0.15 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3h5j s VAL 150 CO 0.10 0.54 -0.12 -0.76 0.00 0.00 0.00 175.10 174.86 3h5j s LEU 151 N 0.45 1.70 0.55 3.92 1.43 0.03 -4.98 118.68 121.77 3h5j s LEU 151 Ca -0.14 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 3h5j s LEU 151 Cb -0.17 -0.81 -0.06 0.00 0.03 0.00 0.00 46.19 45.18 3h5j s LEU 151 CO 0.06 0.05 1.02 -2.16 0.23 0.00 0.00 176.35 175.56 3h5j s PRO 152 N 0.52 3.64 0.17 1.29 0.04 -1.26 -0.48 135.00 138.91 3h5j s PRO 152 Ca -0.12 1.09 0.05 0.00 0.04 0.00 0.00 61.00 62.06 3h5j s PRO 152 Cb -0.14 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 3h5j s PRO 152 CO 0.03 -0.54 -0.09 -0.59 0.04 0.00 0.00 177.00 175.85 3h5j s PHE 153 N -2.53 1.39 0.09 0.56 -0.12 -0.68 -4.62 117.98 112.07 3h5j s PHE 153 Ca 0.61 -0.76 0.07 0.00 -0.05 0.00 0.00 56.93 56.81 3h5j s PHE 153 Cb -0.13 -0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 41.50 3h5j s PHE 153 CO 0.34 0.10 -0.14 0.15 -0.05 0.00 0.00 175.22 175.62 3h5j s LYS 154 N -3.75 2.05 -0.09 1.99 1.02 0.23 -4.74 119.74 116.46 3h5j s LYS 154 Ca 0.20 -1.03 -0.17 0.00 0.02 0.00 0.00 55.97 54.98 3h5j s LYS 154 Cb 0.03 -2.24 0.04 0.00 -0.52 0.00 0.00 37.83 35.13 3h5j s LYS 154 CO 0.03 0.52 0.42 -1.50 -0.92 0.00 0.00 175.35 173.89 3h5j s ILE 155 N -1.11 0.02 0.53 2.17 2.07 -1.26 -1.59 121.20 122.03 3h5j s ILE 155 Ca 0.19 -0.20 -0.18 0.00 -1.41 0.00 0.00 60.65 59.04 3h5j s ILE 155 Cb -0.11 -0.67 -0.06 0.00 0.13 0.00 0.00 42.46 41.75 3h5j s ILE 155 CO 0.10 -0.11 1.05 1.51 -1.91 0.00 0.00 174.94 175.58 3h5j s ASP 156 N -0.62 6.09 0.38 4.50 -4.77 -1.26 -4.89 116.67 116.11 3h5j s ASP 156 Ca -0.07 1.89 0.12 0.00 -3.30 0.00 0.00 52.55 51.18 3h5j s ASP 156 Cb -0.04 -2.55 0.75 0.00 -1.09 0.00 0.00 42.92 40.00 3h5j s ASP 156 CO 0.03 -0.96 1.86 0.44 0.70 0.00 0.00 175.17 177.25 3h5j h ASP 157 N 1.07 0.07 -0.29 2.11 3.32 -2.01 -1.78 116.42 118.91 3h5j h ASP 157 Ca -0.48 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 3h5j h ASP 157 Cb 1.22 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3h5j h ASP 157 CO 0.58 0.37 0.07 0.45 -1.72 0.00 0.00 179.24 178.99 3h5j h HIS 158 N 0.06 0.49 -0.66 4.55 3.86 -1.99 -0.62 115.15 120.84 3h5j h HIS 158 Ca 0.01 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3h5j h HIS 158 Cb 0.56 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 3h5j h HIS 158 CO 0.00 0.53 0.41 0.77 0.86 0.00 0.00 177.93 180.50 3h5j h SER 159 N 0.30 0.78 -0.36 2.45 0.02 -1.85 -1.17 113.55 113.73 3h5j h SER 159 Ca 0.09 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3h5j h SER 159 Cb 0.29 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3h5j h SER 159 CO 0.00 0.60 0.23 0.00 -1.14 0.00 0.00 176.83 176.53 3h5j h ALA 160 N 1.21 0.45 -0.14 3.77 0.00 -1.03 -1.20 119.26 122.31 3h5j h ALA 160 Ca 0.24 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3h5j h ALA 160 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3h5j h ALA 160 CO -0.05 -0.09 -0.04 2.35 0.00 0.00 0.00 179.25 181.43 3h5j h TRP 161 N 0.48 -0.09 -0.60 0.00 7.01 -0.85 0.18 115.95 122.08 3h5j h TRP 161 Ca 0.13 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.15 3h5j h TRP 161 Cb -0.05 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 3h5j h TRP 161 CO -0.05 -0.07 0.38 0.00 -2.79 0.00 0.00 178.44 175.91 3h5j h ARG 162 N -0.01 0.79 -0.14 2.65 3.08 -0.91 -0.86 114.38 118.98 3h5j h ARG 162 Ca 0.07 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3h5j h ARG 162 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3h5j h ARG 162 CO -0.15 0.54 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.21 3h5j h LEU 163 N 0.81 0.25 -1.23 3.04 3.38 -1.02 -1.42 115.31 119.12 3h5j h LEU 163 Ca 0.22 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3h5j h LEU 163 Cb -0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3h5j h LEU 163 CO -0.04 0.51 0.23 -0.07 0.09 0.00 0.00 178.44 179.16 3h5j h LEU 164 N -0.01 0.70 -0.39 1.67 3.38 -0.76 0.23 115.31 120.12 3h5j h LEU 164 Ca 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h5j h LEU 164 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3h5j h LEU 164 CO 0.01 0.62 -0.25 -0.62 0.09 0.00 0.00 178.44 178.28 3h5j n GLU 165 N -4.35 0.72 -3.40 1.13 -0.58 -0.35 -4.37 120.64 109.44 3h5j n GLU 165 Ca 0.05 -0.39 -0.20 0.00 -0.42 0.00 0.00 57.16 56.19 3h5j n GLU 165 Cb 0.15 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.59 3h5j n GLU 165 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h5j n GLY 166 N 1.35 -0.31 0.07 0.62 0.00 -0.64 -4.76 105.19 101.51 3h5j n GLY 166 Ca 0.12 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 3h5j n GLY 166 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h5j h LEU 167 N -2.24 0.00 0.00 0.99 3.38 -1.58 -3.40 115.31 112.46 3h5j h LEU 167 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3h5j h LEU 167 Cb 1.31 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3h5j h LEU 167 CO 0.47 0.96 0.00 0.47 0.09 0.00 0.00 178.44 180.44